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 1kpk_1_E DATA FIRST_RESID 12 DATA SEQUENCE QAARLRRRQL IRQLLERDKT PLAILFMAAV VGTLVGLAAV AFDKGVAWLQ DATA SEQUENCE NQRMGALVHT ADNYPLLLTV AFLCSAVLAM FGYFLVRKYA PEAGGSGIPE DATA SEQUENCE IEGALEDQRP VRWWRVLPVK FFGGLGTLGG GMVLGREGPT VQIGGNIGRM DATA SEQUENCE VLDIFRLKGD EARHTLLATG AAAGLAAAFN APLAGILFII EEMRPQFRYT DATA SEQUENCE LISIKAVFIG VIMSTIMYRI FNHEVALIDV GKLSDAPLNT LWLYLILGII DATA SEQUENCE FGIFGPIFNK WVLGMQDLLH RVHGGNITKW VLMGGAIGGL CGLLGFVAPA DATA SEQUENCE TSGGGFNLIP IATAGNFSMG MLVFIFVARV ITTLLCFSSG APGGIFAPML DATA SEQUENCE ALGTVLGTAF GMVAVELFPQ YHLEAGTFAI AGMGALLAAS IRAPLTGIIL DATA SEQUENCE VLEMTDNYQL ILPMIITGLG ATLLAQFTGG KPLYSAILAR TLAKQEAEQL 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 12 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 12 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 13 A N 1.115 123.934 122.820 -0.003 0.000 1.845 13 A HA -0.010 4.310 4.320 0.000 0.000 0.215 13 A C 2.064 179.645 177.584 -0.004 0.000 1.195 13 A CA 2.104 54.139 52.037 -0.003 0.000 0.616 13 A CB -0.581 18.418 19.000 -0.002 0.000 0.832 13 A HN 0.383 nan 8.150 nan 0.000 0.443 14 A N -0.380 122.438 122.820 -0.004 0.000 1.840 14 A HA -0.051 4.270 4.320 0.000 0.000 0.214 14 A C 2.094 179.675 177.584 -0.005 0.000 1.198 14 A CA 1.179 53.214 52.037 -0.004 0.000 0.608 14 A CB -0.469 18.530 19.000 -0.003 0.000 0.839 14 A HN 0.489 nan 8.150 nan 0.000 0.443 15 R N -0.867 119.630 120.500 -0.004 0.000 2.377 15 R HA -0.005 4.335 4.340 0.000 0.000 0.207 15 R C 1.446 177.743 176.300 -0.005 0.000 1.075 15 R CA 0.710 56.807 56.100 -0.004 0.000 1.035 15 R CB -0.289 30.009 30.300 -0.003 0.000 0.857 15 R HN 0.477 nan 8.270 nan 0.000 0.475 16 L N -0.075 121.144 121.223 -0.006 0.000 2.388 16 L HA 0.098 4.438 4.340 0.000 0.000 0.209 16 L C 1.946 178.811 176.870 -0.009 0.000 1.061 16 L CA 0.994 55.830 54.840 -0.007 0.000 0.834 16 L CB -0.007 42.048 42.059 -0.007 0.000 1.029 16 L HN -0.141 nan 8.230 nan 0.000 0.473 17 R N -0.249 120.244 120.500 -0.010 0.000 2.113 17 R HA -0.209 4.131 4.340 0.000 0.000 0.244 17 R C 2.270 178.562 176.300 -0.013 0.000 1.142 17 R CA 2.075 58.167 56.100 -0.014 0.000 0.953 17 R CB -0.533 29.759 30.300 -0.013 0.000 0.860 17 R HN 0.367 nan 8.270 nan 0.000 0.438 18 R N 0.471 120.965 120.500 -0.010 0.000 2.112 18 R HA -0.161 4.179 4.340 0.000 0.000 0.242 18 R C 2.313 178.608 176.300 -0.009 0.000 1.137 18 R CA 1.767 57.862 56.100 -0.009 0.000 0.944 18 R CB -0.403 29.893 30.300 -0.007 0.000 0.857 18 R HN 0.273 nan 8.270 nan 0.000 0.435 19 R N 0.638 121.133 120.500 -0.008 0.000 2.200 19 R HA -0.171 4.169 4.340 0.000 0.000 0.234 19 R C 2.217 178.512 176.300 -0.009 0.000 1.127 19 R CA 1.334 57.429 56.100 -0.008 0.000 0.989 19 R CB -0.126 30.170 30.300 -0.007 0.000 0.869 19 R HN 0.479 nan 8.270 nan 0.000 0.459 20 Q N 0.324 120.116 119.800 -0.012 0.000 1.990 20 Q HA 0.008 4.348 4.340 0.000 0.000 0.195 20 Q C 2.273 178.263 176.000 -0.016 0.000 0.977 20 Q CA 0.692 56.486 55.803 -0.016 0.000 0.828 20 Q CB -0.085 28.641 28.738 -0.021 0.000 0.896 20 Q HN 0.214 nan 8.270 nan 0.000 0.447 21 L N 0.956 122.169 121.223 -0.017 0.000 1.976 21 L HA -0.308 4.032 4.340 0.000 0.000 0.223 21 L C 2.483 179.346 176.870 -0.011 0.000 1.081 21 L CA 1.507 56.338 54.840 -0.015 0.000 0.784 21 L CB -0.835 41.215 42.059 -0.014 0.000 0.896 21 L HN 0.331 nan 8.230 nan 0.000 0.438 22 I N -0.821 119.744 120.570 -0.009 0.000 2.236 22 I HA -0.339 3.831 4.170 0.000 0.000 0.249 22 I C 2.759 178.872 176.117 -0.006 0.000 1.102 22 I CA 1.410 62.706 61.300 -0.007 0.000 1.365 22 I CB -0.466 37.531 38.000 -0.006 0.000 1.051 22 I HN 0.293 nan 8.210 nan 0.000 0.420 23 R N 0.190 120.686 120.500 -0.007 0.000 2.119 23 R HA -0.094 4.246 4.340 0.000 0.000 0.222 23 R C 2.286 178.583 176.300 -0.005 0.000 1.088 23 R CA 0.961 57.057 56.100 -0.006 0.000 0.984 23 R CB -0.074 30.222 30.300 -0.007 0.000 0.884 23 R HN 0.535 nan 8.270 nan 0.000 0.447 24 Q N 0.356 120.151 119.800 -0.008 0.000 2.036 24 Q HA -0.018 4.322 4.340 0.000 0.000 0.195 24 Q C 2.283 178.281 176.000 -0.002 0.000 0.971 24 Q CA 0.855 56.654 55.803 -0.006 0.000 0.826 24 Q CB -0.047 28.682 28.738 -0.014 0.000 0.896 24 Q HN 0.227 nan 8.270 nan 0.000 0.449 25 L N 0.892 122.112 121.223 -0.004 0.000 1.965 25 L HA -0.267 4.073 4.340 0.000 0.000 0.226 25 L C 2.291 179.160 176.870 -0.001 0.000 1.083 25 L CA 1.401 56.240 54.840 -0.001 0.000 0.790 25 L CB -0.846 41.211 42.059 -0.003 0.000 0.898 25 L HN 0.303 nan 8.230 nan 0.000 0.439 26 L N -0.416 120.805 121.223 -0.002 0.000 2.651 26 L HA -0.177 4.163 4.340 0.000 0.000 0.236 26 L C 1.841 178.710 176.870 -0.002 0.000 1.173 26 L CA 0.536 55.374 54.840 -0.003 0.000 0.843 26 L CB -0.437 41.620 42.059 -0.003 0.000 0.964 26 L HN 0.349 nan 8.230 nan 0.000 0.454 27 E N -0.146 120.054 120.200 0.000 0.000 2.539 27 E HA 0.044 4.394 4.350 0.000 0.000 0.215 27 E C 0.935 177.539 176.600 0.006 0.000 0.965 27 E CA -0.313 56.088 56.400 0.002 0.000 1.019 27 E CB 0.438 30.139 29.700 0.002 0.000 1.059 27 E HN 0.185 nan 8.360 nan 0.000 0.496 28 R N 1.150 121.654 120.500 0.006 0.000 2.678 28 R HA -0.073 4.268 4.340 0.000 0.000 0.264 28 R C -0.639 175.666 176.300 0.008 0.000 0.995 28 R CA 1.238 57.345 56.100 0.011 0.000 1.098 28 R CB 0.076 30.382 30.300 0.010 0.000 0.949 28 R HN 0.051 nan 8.270 nan 0.000 0.422 29 D N 1.096 121.504 120.400 0.013 0.000 3.092 29 D HA -0.111 4.529 4.640 0.000 0.000 0.253 29 D C -1.320 174.983 176.300 0.006 0.000 1.063 29 D CA 0.867 54.870 54.000 0.005 0.000 0.886 29 D CB -0.175 40.619 40.800 -0.010 0.000 1.021 29 D HN 0.556 nan 8.370 nan 0.000 0.425 30 K N 0.872 121.282 120.400 0.016 0.000 2.263 30 K HA 0.611 4.931 4.320 0.000 0.000 0.272 30 K C -1.015 175.593 176.600 0.014 0.000 1.033 30 K CA -0.256 56.040 56.287 0.015 0.000 0.884 30 K CB 1.202 33.715 32.500 0.021 0.000 1.107 30 K HN 0.086 nan 8.250 nan 0.000 0.460 31 T N 5.610 120.170 114.554 0.009 0.000 3.187 31 T HA 0.268 4.619 4.350 0.000 0.000 0.328 31 T C -2.737 171.969 174.700 0.009 0.000 0.951 31 T CA -1.025 61.080 62.100 0.009 0.000 1.049 31 T CB 1.448 70.319 68.868 0.006 0.000 1.015 31 T HN 0.424 nan 8.240 nan 0.000 0.461 32 P HA 0.092 nan 4.420 nan 0.000 0.262 32 P C 1.114 178.422 177.300 0.014 0.000 1.199 32 P CA -0.518 62.587 63.100 0.009 0.000 0.763 32 P CB 0.477 32.182 31.700 0.008 0.000 0.790 33 L N 4.429 125.660 121.223 0.013 0.000 2.283 33 L HA -0.291 4.049 4.340 0.000 0.000 0.217 33 L C 1.837 178.733 176.870 0.043 0.000 1.104 33 L CA 2.401 57.256 54.840 0.025 0.000 0.772 33 L CB -0.937 41.129 42.059 0.010 0.000 0.899 33 L HN 0.443 nan 8.230 nan 0.000 0.439 34 A N -0.799 122.034 122.820 0.022 0.000 1.970 34 A HA -0.008 4.313 4.320 0.000 0.000 0.216 34 A C 2.203 179.814 177.584 0.045 0.000 1.170 34 A CA 1.335 53.387 52.037 0.025 0.000 0.645 34 A CB -0.567 18.430 19.000 -0.005 0.000 0.816 34 A HN 0.481 nan 8.150 nan 0.000 0.447 35 I N -0.067 120.519 120.570 0.027 0.000 2.286 35 I HA -0.253 3.917 4.170 0.000 0.000 0.248 35 I C 2.318 178.446 176.117 0.019 0.000 1.115 35 I CA 0.954 62.264 61.300 0.016 0.000 1.392 35 I CB -0.343 37.663 38.000 0.011 0.000 1.065 35 I HN 0.311 nan 8.210 nan 0.000 0.418 36 L N -0.156 121.089 121.223 0.036 0.000 1.961 36 L HA -0.230 4.110 4.340 0.000 0.000 0.209 36 L C 2.605 179.492 176.870 0.029 0.000 1.075 36 L CA 1.537 56.395 54.840 0.030 0.000 0.749 36 L CB -0.901 41.182 42.059 0.041 0.000 0.890 36 L HN 0.138 nan 8.230 nan 0.000 0.433 37 F N 0.047 119.959 119.950 -0.063 0.000 2.225 37 F HA -0.335 4.192 4.527 0.000 0.000 0.302 37 F C 2.417 178.141 175.800 -0.127 0.000 1.068 37 F CA 1.628 59.578 58.000 -0.084 0.000 1.327 37 F CB 0.009 38.956 39.000 -0.089 0.000 1.043 37 F HN 0.056 nan 8.300 nan 0.000 0.506 38 M N 0.144 119.762 119.600 0.029 0.000 2.216 38 M HA 0.127 4.607 4.480 0.000 0.000 0.264 38 M C 2.348 178.562 176.300 -0.142 0.000 1.080 38 M CA 1.731 56.976 55.300 -0.091 0.000 1.153 38 M CB -0.949 31.610 32.600 -0.068 0.000 1.356 38 M HN 0.096 nan 8.290 nan 0.000 0.432 39 A N -0.248 122.516 122.820 -0.093 0.000 1.978 39 A HA -0.012 4.308 4.320 0.000 0.000 0.220 39 A C 2.291 179.801 177.584 -0.123 0.000 1.170 39 A CA 1.911 53.897 52.037 -0.086 0.000 0.636 39 A CB -1.339 17.634 19.000 -0.045 0.000 0.810 39 A HN 0.576 nan 8.150 nan 0.000 0.448 40 A N -0.750 121.967 122.820 -0.173 0.000 2.024 40 A HA 0.037 4.357 4.320 0.000 0.000 0.220 40 A C 2.120 179.551 177.584 -0.256 0.000 1.164 40 A CA 1.829 53.732 52.037 -0.223 0.000 0.643 40 A CB -0.551 18.251 19.000 -0.330 0.000 0.806 40 A HN 0.394 nan 8.150 nan 0.000 0.451 41 V N -1.050 118.695 119.914 -0.281 0.000 2.500 41 V HA -0.121 4.000 4.120 0.000 0.000 0.243 41 V C 2.484 178.492 176.094 -0.143 0.000 1.039 41 V CA 1.393 63.554 62.300 -0.230 0.000 1.053 41 V CB -0.427 31.244 31.823 -0.253 0.000 0.695 41 V HN 0.325 nan 8.190 nan 0.000 0.463 42 V N 1.431 121.266 119.914 -0.131 0.000 2.392 42 V HA -0.233 3.888 4.120 0.000 0.000 0.249 42 V C 2.618 178.654 176.094 -0.096 0.000 1.059 42 V CA 2.363 64.601 62.300 -0.104 0.000 1.051 42 V CB -1.429 30.337 31.823 -0.096 0.000 0.658 42 V HN 0.610 nan 8.190 nan 0.000 0.455 43 G N -0.505 108.237 108.800 -0.097 0.000 2.404 43 G HA2 -0.226 3.734 3.960 0.000 0.000 0.215 43 G HA3 -0.226 3.734 3.960 0.000 0.000 0.215 43 G C 1.670 176.528 174.900 -0.071 0.000 1.174 43 G CA 1.404 46.454 45.100 -0.083 0.000 0.780 43 G HN 0.468 nan 8.290 nan 0.000 0.537 44 T N 1.089 115.598 114.554 -0.076 0.000 2.803 44 T HA -0.066 4.285 4.350 0.000 0.000 0.269 44 T C 2.209 176.883 174.700 -0.044 0.000 1.052 44 T CA 0.896 62.965 62.100 -0.052 0.000 1.136 44 T CB -0.057 68.773 68.868 -0.063 0.000 0.864 44 T HN 0.045 nan 8.240 nan 0.000 0.467 45 L N 0.080 121.268 121.223 -0.058 0.000 2.185 45 L HA 0.172 4.512 4.340 0.000 0.000 0.198 45 L C 2.615 179.437 176.870 -0.081 0.000 1.079 45 L CA 0.854 55.661 54.840 -0.056 0.000 0.780 45 L CB -1.074 40.956 42.059 -0.047 0.000 0.955 45 L HN 0.045 nan 8.230 nan 0.000 0.462 46 V N 0.284 120.143 119.914 -0.092 0.000 2.317 46 V HA -0.315 3.805 4.120 0.000 0.000 0.251 46 V C 2.471 178.492 176.094 -0.122 0.000 1.065 46 V CA 2.179 64.409 62.300 -0.117 0.000 1.049 46 V CB -1.458 30.296 31.823 -0.116 0.000 0.651 46 V HN 0.599 nan 8.190 nan 0.000 0.450 47 G N -0.801 107.945 108.800 -0.091 0.000 2.394 47 G HA2 -0.195 3.765 3.960 0.000 0.000 0.214 47 G HA3 -0.195 3.765 3.960 0.000 0.000 0.214 47 G C 1.442 176.290 174.900 -0.086 0.000 1.176 47 G CA 0.691 45.750 45.100 -0.069 0.000 0.786 47 G HN 0.424 nan 8.290 nan 0.000 0.533 48 L N 1.391 122.561 121.223 -0.088 0.000 2.450 48 L HA 0.200 4.540 4.340 0.000 0.000 0.224 48 L C 2.725 179.491 176.870 -0.174 0.000 1.149 48 L CA 1.215 55.972 54.840 -0.137 0.000 0.816 48 L CB -0.468 41.551 42.059 -0.067 0.000 0.932 48 L HN 0.261 nan 8.230 nan 0.000 0.449 49 A N -1.275 121.448 122.820 -0.161 0.000 1.871 49 A HA 0.181 4.501 4.320 0.000 0.000 0.211 49 A C 2.416 179.841 177.584 -0.264 0.000 1.207 49 A CA 0.921 52.825 52.037 -0.222 0.000 0.620 49 A CB -0.853 18.004 19.000 -0.239 0.000 0.860 49 A HN 0.393 nan 8.150 nan 0.000 0.450 50 A N -0.311 122.391 122.820 -0.198 0.000 1.908 50 A HA -0.060 4.260 4.320 0.000 0.000 0.218 50 A C 2.325 179.902 177.584 -0.013 0.000 1.181 50 A CA 1.909 53.883 52.037 -0.105 0.000 0.627 50 A CB -1.227 17.721 19.000 -0.086 0.000 0.818 50 A HN 0.974 nan 8.150 nan 0.000 0.445 51 V N -0.186 119.682 119.914 -0.076 0.000 2.332 51 V HA -0.212 3.909 4.120 0.000 0.000 0.248 51 V C 2.647 178.648 176.094 -0.155 0.000 1.055 51 V CA 2.597 64.824 62.300 -0.122 0.000 1.038 51 V CB -0.854 30.741 31.823 -0.381 0.000 0.651 51 V HN 0.615 nan 8.190 nan 0.000 0.450 52 A N -0.642 122.069 122.820 -0.181 0.000 1.873 52 A HA -0.131 4.189 4.320 0.000 0.000 0.215 52 A C 2.125 179.716 177.584 0.012 0.000 1.186 52 A CA 1.853 53.837 52.037 -0.087 0.000 0.616 52 A CB -0.960 18.020 19.000 -0.033 0.000 0.823 52 A HN 0.712 nan 8.150 nan 0.000 0.442 53 F N 1.589 121.387 119.950 -0.254 0.000 2.025 53 F HA -0.266 4.261 4.527 0.000 0.000 0.297 53 F C 1.990 177.765 175.800 -0.042 0.000 1.132 53 F CA 2.509 60.362 58.000 -0.246 0.000 1.191 53 F CB -0.657 38.042 39.000 -0.502 0.000 0.963 53 F HN 0.401 nan 8.300 nan 0.000 0.481 54 D N 0.410 120.799 120.400 -0.017 0.000 2.137 54 D HA -0.279 4.361 4.640 0.000 0.000 0.189 54 D C 2.228 178.491 176.300 -0.061 0.000 0.998 54 D CA 2.058 56.028 54.000 -0.050 0.000 0.839 54 D CB -0.481 40.401 40.800 0.136 0.000 0.962 54 D HN 0.112 nan 8.370 nan 0.000 0.446 55 K N -0.018 120.376 120.400 -0.009 0.000 2.218 55 K HA -0.095 4.225 4.320 0.000 0.000 0.205 55 K C 2.049 178.666 176.600 0.029 0.000 1.046 55 K CA 1.408 57.706 56.287 0.018 0.000 0.933 55 K CB -0.784 31.718 32.500 0.003 0.000 0.728 55 K HN 0.357 nan 8.250 nan 0.000 0.454 56 G N -0.028 108.761 108.800 -0.018 0.000 2.396 56 G HA2 -0.130 3.830 3.960 0.000 0.000 0.214 56 G HA3 -0.130 3.830 3.960 0.000 0.000 0.214 56 G C 1.570 176.487 174.900 0.029 0.000 1.166 56 G CA 0.531 45.651 45.100 0.034 0.000 0.793 56 G HN 0.176 nan 8.290 nan 0.000 0.533 57 V N 1.528 121.334 119.914 -0.179 0.000 2.594 57 V HA -0.058 4.062 4.120 0.000 0.000 0.253 57 V C 3.117 179.190 176.094 -0.035 0.000 1.069 57 V CA 1.721 63.909 62.300 -0.188 0.000 1.082 57 V CB -0.486 31.106 31.823 -0.385 0.000 0.680 57 V HN 0.444 nan 8.190 nan 0.000 0.469 58 A N -1.698 121.135 122.820 0.022 0.000 2.119 58 A HA -0.137 4.183 4.320 0.000 0.000 0.216 58 A C 1.849 179.518 177.584 0.142 0.000 1.152 58 A CA 0.784 52.868 52.037 0.078 0.000 0.708 58 A CB -0.542 18.513 19.000 0.092 0.000 0.805 58 A HN 0.721 nan 8.150 nan 0.000 0.460 59 W N 0.165 121.444 121.300 -0.035 0.000 2.576 59 W HA 0.136 4.796 4.660 0.000 0.000 0.275 59 W C 1.367 177.871 176.519 -0.025 0.000 1.241 59 W CA 0.873 58.205 57.345 -0.022 0.000 1.328 59 W CB -0.071 29.376 29.460 -0.021 0.000 1.092 59 W HN 0.185 nan 8.180 nan 0.000 0.586 60 L N 0.486 121.683 121.223 -0.043 0.000 2.376 60 L HA -0.128 4.212 4.340 0.000 0.000 0.219 60 L C 2.140 178.900 176.870 -0.184 0.000 1.133 60 L CA 1.031 55.746 54.840 -0.209 0.000 0.816 60 L CB -0.662 41.347 42.059 -0.083 0.000 0.933 60 L HN 0.082 nan 8.230 nan 0.000 0.449 61 Q N -0.595 119.145 119.800 -0.101 0.000 2.354 61 Q HA -0.092 4.248 4.340 0.000 0.000 0.203 61 Q C 1.783 177.733 176.000 -0.084 0.000 0.933 61 Q CA 0.706 56.471 55.803 -0.063 0.000 0.901 61 Q CB 0.050 28.785 28.738 -0.006 0.000 1.007 61 Q HN 0.564 nan 8.270 nan 0.000 0.495 62 N N -0.146 118.479 118.700 -0.125 0.000 2.207 62 N HA -0.151 4.589 4.740 0.000 0.000 0.182 62 N C 1.744 177.124 175.510 -0.217 0.000 1.020 62 N CA 0.513 53.490 53.050 -0.120 0.000 0.858 62 N CB 0.353 38.800 38.487 -0.066 0.000 0.991 62 N HN 0.103 nan 8.380 nan 0.000 0.427 63 Q N 0.964 120.518 119.800 -0.410 0.000 2.020 63 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 63 Q C 1.977 177.824 176.000 -0.254 0.000 0.974 63 Q CA 1.013 56.566 55.803 -0.418 0.000 0.829 63 Q CB -0.578 27.751 28.738 -0.682 0.000 0.894 63 Q HN 0.363 nan 8.270 nan 0.000 0.433 64 R N -0.308 120.062 120.500 -0.217 0.000 2.200 64 R HA -0.054 4.286 4.340 0.000 0.000 0.234 64 R C 1.724 177.969 176.300 -0.091 0.000 1.127 64 R CA 0.927 56.947 56.100 -0.133 0.000 0.989 64 R CB 0.128 30.368 30.300 -0.099 0.000 0.869 64 R HN 0.140 nan 8.270 nan 0.000 0.459 65 M N -1.448 118.101 119.600 -0.086 0.000 2.465 65 M HA 0.117 4.597 4.480 0.000 0.000 0.249 65 M C 1.749 178.021 176.300 -0.047 0.000 1.130 65 M CA 0.602 55.878 55.300 -0.040 0.000 1.067 65 M CB 0.678 33.271 32.600 -0.012 0.000 1.394 65 M HN 0.286 nan 8.290 nan 0.000 0.483 66 G N -0.477 108.271 108.800 -0.085 0.000 2.494 66 G HA2 0.086 4.046 3.960 0.000 0.000 0.216 66 G HA3 0.086 4.046 3.960 0.000 0.000 0.216 66 G C 1.382 176.239 174.900 -0.071 0.000 1.140 66 G CA 0.724 45.780 45.100 -0.074 0.000 0.801 66 G HN 0.485 nan 8.290 nan 0.000 0.536 67 A N 0.156 122.919 122.820 -0.095 0.000 2.208 67 A HA 0.404 4.725 4.320 0.000 0.000 0.209 67 A C 1.805 179.361 177.584 -0.048 0.000 1.161 67 A CA 0.181 52.170 52.037 -0.081 0.000 0.782 67 A CB -0.123 18.816 19.000 -0.102 0.000 0.816 67 A HN 0.319 nan 8.150 nan 0.000 0.477 68 L N -0.456 120.728 121.223 -0.066 0.000 2.685 68 L HA 0.145 4.486 4.340 0.000 0.000 0.233 68 L C 0.674 177.499 176.870 -0.074 0.000 1.173 68 L CA 0.002 54.771 54.840 -0.117 0.000 0.961 68 L CB 0.594 42.557 42.059 -0.161 0.000 1.217 68 L HN 0.187 nan 8.230 nan 0.000 0.478 69 V N -2.632 117.278 119.914 -0.007 0.000 3.411 69 V HA 0.019 4.140 4.120 0.000 0.000 0.287 69 V C 1.517 177.643 176.094 0.053 0.000 1.543 69 V CA 0.053 62.363 62.300 0.016 0.000 1.028 69 V CB 0.473 32.315 31.823 0.031 0.000 0.840 69 V HN 0.331 nan 8.190 nan 0.000 0.435 70 H N 1.765 120.805 119.070 -0.050 0.000 2.399 70 H HA 0.019 4.576 4.556 0.000 0.000 0.300 70 H C 1.938 177.239 175.328 -0.044 0.000 1.048 70 H CA 1.977 58.002 56.048 -0.038 0.000 1.370 70 H CB 0.483 30.221 29.762 -0.039 0.000 1.428 70 H HN 0.486 nan 8.280 nan 0.000 0.534 71 T N -2.345 112.230 114.554 0.035 0.000 3.275 71 T HA 0.484 4.834 4.350 0.000 0.000 0.265 71 T C 0.842 175.493 174.700 -0.083 0.000 0.978 71 T CA -0.029 62.051 62.100 -0.033 0.000 0.923 71 T CB 0.095 68.949 68.868 -0.023 0.000 1.126 71 T HN 0.337 nan 8.240 nan 0.000 0.538 72 A N 0.782 123.555 122.820 -0.079 0.000 2.416 72 A HA 0.268 4.588 4.320 0.000 0.000 0.252 72 A C 1.300 178.841 177.584 -0.072 0.000 1.353 72 A CA -0.247 51.724 52.037 -0.109 0.000 0.996 72 A CB -0.314 18.647 19.000 -0.065 0.000 0.961 72 A HN 0.560 nan 8.150 nan 0.000 0.523 73 D N 0.489 120.861 120.400 -0.046 0.000 2.468 73 D HA -0.017 4.624 4.640 0.000 0.000 0.243 73 D C 0.137 176.478 176.300 0.069 0.000 0.994 73 D CA 0.559 54.565 54.000 0.010 0.000 0.932 73 D CB -0.147 40.653 40.800 0.001 0.000 1.078 73 D HN 0.641 nan 8.370 nan 0.000 0.473 74 N N 0.489 119.220 118.700 0.051 0.000 2.400 74 N HA 0.026 4.767 4.740 0.000 0.000 0.288 74 N C 0.107 175.693 175.510 0.126 0.000 1.024 74 N CA -0.425 52.704 53.050 0.131 0.000 0.894 74 N CB 1.414 39.946 38.487 0.075 0.000 1.173 74 N HN -0.077 nan 8.380 nan 0.000 0.487 75 Y N 1.426 121.735 120.300 0.014 0.000 2.224 75 Y HA -0.005 4.545 4.550 0.000 0.000 0.289 75 Y C -0.348 175.553 175.900 0.002 0.000 1.146 75 Y CA 0.979 59.093 58.100 0.024 0.000 1.182 75 Y CB -1.600 36.906 38.460 0.076 0.000 0.983 75 Y HN 0.512 nan 8.280 nan 0.000 0.524 76 P HA -0.206 nan 4.420 nan 0.000 0.215 76 P C 1.922 179.238 177.300 0.027 0.000 1.157 76 P CA 1.420 64.566 63.100 0.077 0.000 0.868 76 P CB -0.007 31.727 31.700 0.056 0.000 0.788 77 L N -0.602 120.626 121.223 0.010 0.000 2.027 77 L HA -0.081 4.259 4.340 0.000 0.000 0.206 77 L C 2.519 179.355 176.870 -0.055 0.000 1.074 77 L CA 1.564 56.393 54.840 -0.018 0.000 0.745 77 L CB -1.715 40.334 42.059 -0.017 0.000 0.898 77 L HN -0.160 nan 8.230 nan 0.000 0.433 78 L N 0.070 121.228 121.223 -0.108 0.000 1.956 78 L HA -0.247 4.094 4.340 0.000 0.000 0.216 78 L C 2.419 179.157 176.870 -0.221 0.000 1.073 78 L CA 2.251 56.948 54.840 -0.238 0.000 0.762 78 L CB -1.161 40.650 42.059 -0.414 0.000 0.889 78 L HN 0.385 nan 8.230 nan 0.000 0.433 79 L N -0.819 120.322 121.223 -0.138 0.000 2.551 79 L HA -0.191 4.149 4.340 0.000 0.000 0.230 79 L C 1.986 178.877 176.870 0.036 0.000 1.163 79 L CA 0.932 55.764 54.840 -0.013 0.000 0.826 79 L CB -0.850 41.272 42.059 0.106 0.000 0.943 79 L HN 0.369 nan 8.230 nan 0.000 0.452 80 T N -1.304 113.251 114.554 0.003 0.000 3.056 80 T HA -0.017 4.333 4.350 0.000 0.000 0.241 80 T C 1.867 176.606 174.700 0.065 0.000 1.006 80 T CA 0.854 62.970 62.100 0.026 0.000 1.115 80 T CB 0.174 69.029 68.868 -0.021 0.000 0.939 80 T HN 0.243 nan 8.240 nan 0.000 0.462 81 V N 1.429 121.351 119.914 0.013 0.000 2.490 81 V HA -0.023 4.097 4.120 0.000 0.000 0.250 81 V C 2.615 178.730 176.094 0.034 0.000 1.061 81 V CA 1.538 63.849 62.300 0.018 0.000 1.064 81 V CB -1.666 30.142 31.823 -0.025 0.000 0.670 81 V HN 0.411 nan 8.190 nan 0.000 0.461 82 A N 0.786 123.615 122.820 0.016 0.000 1.851 82 A HA -0.189 4.132 4.320 0.000 0.000 0.216 82 A C 2.111 179.760 177.584 0.108 0.000 1.195 82 A CA 2.097 54.151 52.037 0.029 0.000 0.622 82 A CB -1.046 17.961 19.000 0.012 0.000 0.831 82 A HN 0.677 nan 8.150 nan 0.000 0.444 83 F N 0.055 120.008 119.950 0.006 0.000 2.161 83 F HA -0.146 4.381 4.527 0.000 0.000 0.300 83 F C 1.799 177.611 175.800 0.020 0.000 1.089 83 F CA 1.582 59.596 58.000 0.024 0.000 1.282 83 F CB -0.424 38.592 39.000 0.026 0.000 1.010 83 F HN 0.170 nan 8.300 nan 0.000 0.485 84 L N 0.012 121.469 121.223 0.390 0.000 1.976 84 L HA -0.223 4.117 4.340 0.000 0.000 0.209 84 L C 2.629 179.560 176.870 0.101 0.000 1.071 84 L CA 1.970 56.970 54.840 0.267 0.000 0.746 84 L CB -1.224 40.935 42.059 0.167 0.000 0.890 84 L HN 0.304 nan 8.230 nan 0.000 0.432 85 C N -1.396 117.935 119.300 0.051 0.000 2.413 85 C HA -0.163 4.297 4.460 0.000 0.000 0.276 85 C C 2.929 177.915 174.990 -0.007 0.000 1.248 85 C CA 1.235 60.258 59.018 0.009 0.000 1.742 85 C CB -1.169 26.559 27.740 -0.021 0.000 2.017 85 C HN 0.609 nan 8.230 nan 0.000 0.481 86 S N 0.838 116.516 115.700 -0.037 0.000 2.355 86 S HA -0.065 4.405 4.470 0.000 0.000 0.222 86 S C 2.226 176.783 174.600 -0.073 0.000 1.031 86 S CA 1.261 59.426 58.200 -0.058 0.000 0.993 86 S CB -0.528 62.613 63.200 -0.098 0.000 0.859 86 S HN 0.711 nan 8.310 nan 0.000 0.453 87 A N 1.387 124.107 122.820 -0.166 0.000 1.908 87 A HA -0.074 4.246 4.320 0.000 0.000 0.218 87 A C 2.343 179.940 177.584 0.021 0.000 1.181 87 A CA 1.654 53.605 52.037 -0.143 0.000 0.627 87 A CB -1.013 17.884 19.000 -0.171 0.000 0.818 87 A HN 0.334 nan 8.150 nan 0.000 0.445 88 V N 0.102 120.050 119.914 0.056 0.000 2.255 88 V HA -0.285 3.836 4.120 0.000 0.000 0.247 88 V C 2.590 178.774 176.094 0.150 0.000 1.051 88 V CA 2.107 64.469 62.300 0.104 0.000 1.018 88 V CB -0.878 30.999 31.823 0.090 0.000 0.641 88 V HN 0.575 nan 8.190 nan 0.000 0.445 89 L N 0.107 121.394 121.223 0.107 0.000 2.017 89 L HA -0.163 4.177 4.340 0.000 0.000 0.208 89 L C 2.763 179.760 176.870 0.212 0.000 1.073 89 L CA 1.621 56.532 54.840 0.118 0.000 0.745 89 L CB -0.875 41.206 42.059 0.037 0.000 0.894 89 L HN 0.364 nan 8.230 nan 0.000 0.432 90 A N -0.313 122.627 122.820 0.200 0.000 1.940 90 A HA -0.229 4.091 4.320 0.000 0.000 0.219 90 A C 2.329 180.183 177.584 0.450 0.000 1.176 90 A CA 1.586 53.823 52.037 0.334 0.000 0.631 90 A CB -0.361 18.801 19.000 0.270 0.000 0.814 90 A HN 0.254 nan 8.150 nan 0.000 0.446 91 M N -1.666 118.110 119.600 0.293 0.000 2.443 91 M HA -0.135 4.345 4.480 0.000 0.000 0.267 91 M C 2.104 178.654 176.300 0.417 0.000 1.069 91 M CA 1.609 57.074 55.300 0.274 0.000 1.085 91 M CB -1.710 30.997 32.600 0.179 0.000 1.243 91 M HN 0.479 nan 8.290 nan 0.000 0.464 92 F N 1.078 121.168 119.950 0.234 0.000 2.158 92 F HA -0.256 4.271 4.527 0.000 0.000 0.299 92 F C 2.039 177.996 175.800 0.262 0.000 1.060 92 F CA 1.783 59.938 58.000 0.258 0.000 1.284 92 F CB -0.926 38.176 39.000 0.171 0.000 1.035 92 F HN 0.207 nan 8.300 nan 0.000 0.496 93 G N -1.338 107.811 108.800 0.581 0.000 2.547 93 G HA2 -0.273 3.687 3.960 0.000 0.000 0.214 93 G HA3 -0.273 3.687 3.960 0.000 0.000 0.214 93 G C 1.312 176.419 174.900 0.344 0.000 1.254 93 G CA 0.698 46.050 45.100 0.421 0.000 0.817 93 G HN 0.405 nan 8.290 nan 0.000 0.551 94 Y N 0.283 120.731 120.300 0.245 0.000 2.348 94 Y HA -0.124 4.426 4.550 0.000 0.000 0.285 94 Y C 2.210 178.210 175.900 0.167 0.000 1.173 94 Y CA 1.006 59.222 58.100 0.193 0.000 1.263 94 Y CB -0.549 38.072 38.460 0.268 0.000 0.974 94 Y HN 0.279 nan 8.280 nan 0.000 0.547 95 F N -0.286 119.769 119.950 0.175 0.000 1.999 95 F HA -0.260 4.267 4.527 0.000 0.000 0.293 95 F C 2.061 177.870 175.800 0.014 0.000 1.173 95 F CA 0.591 58.620 58.000 0.049 0.000 1.162 95 F CB -0.355 38.631 39.000 -0.023 0.000 0.981 95 F HN -0.149 nan 8.300 nan 0.000 0.479 96 L N 0.720 121.862 121.223 -0.134 0.000 2.123 96 L HA -0.296 4.044 4.340 0.000 0.000 0.217 96 L C 2.295 179.132 176.870 -0.055 0.000 1.081 96 L CA 1.386 56.062 54.840 -0.273 0.000 0.772 96 L CB -1.641 40.320 42.059 -0.163 0.000 0.890 96 L HN 0.236 nan 8.230 nan 0.000 0.437 97 V N -0.695 119.222 119.914 0.006 0.000 2.283 97 V HA -0.190 3.930 4.120 0.000 0.000 0.243 97 V C 2.685 178.733 176.094 -0.076 0.000 1.039 97 V CA 1.317 63.597 62.300 -0.034 0.000 1.016 97 V CB -0.438 31.345 31.823 -0.066 0.000 0.650 97 V HN 0.379 nan 8.190 nan 0.000 0.449 98 R N 0.218 120.658 120.500 -0.099 0.000 2.096 98 R HA -0.130 4.210 4.340 0.000 0.000 0.235 98 R C 2.206 178.480 176.300 -0.043 0.000 1.127 98 R CA 1.416 57.407 56.100 -0.181 0.000 0.968 98 R CB -0.437 29.717 30.300 -0.244 0.000 0.861 98 R HN 0.386 nan 8.270 nan 0.000 0.440 99 K N -0.249 120.208 120.400 0.095 0.000 2.063 99 K HA -0.022 4.298 4.320 0.000 0.000 0.204 99 K C 1.767 178.352 176.600 -0.025 0.000 1.039 99 K CA 1.205 57.545 56.287 0.089 0.000 0.957 99 K CB -0.240 32.406 32.500 0.242 0.000 0.764 99 K HN 0.013 nan 8.250 nan 0.000 0.447 100 Y N -0.610 119.599 120.300 -0.152 0.000 2.490 100 Y HA 0.405 4.956 4.550 0.000 0.000 0.285 100 Y C -0.012 175.831 175.900 -0.096 0.000 1.117 100 Y CA 0.284 58.310 58.100 -0.124 0.000 1.262 100 Y CB 0.587 38.955 38.460 -0.154 0.000 1.043 100 Y HN 0.130 nan 8.280 nan 0.000 0.553 101 A N 0.056 122.899 122.820 0.038 0.000 2.503 101 A HA 0.257 4.577 4.320 0.000 0.000 0.275 101 A C -2.307 175.244 177.584 -0.055 0.000 1.339 101 A CA -0.720 51.301 52.037 -0.027 0.000 0.984 101 A CB -0.133 18.843 19.000 -0.041 0.000 1.382 101 A HN -0.049 nan 8.150 nan 0.000 0.609 102 P HA -0.130 nan 4.420 nan 0.000 0.240 102 P C 0.514 177.766 177.300 -0.081 0.000 1.186 102 P CA 0.942 63.978 63.100 -0.108 0.000 0.755 102 P CB 0.388 32.013 31.700 -0.125 0.000 0.870 103 E N 0.387 120.544 120.200 -0.071 0.000 2.140 103 E HA 0.040 4.391 4.350 0.000 0.000 0.191 103 E C 1.741 178.306 176.600 -0.058 0.000 0.973 103 E CA 0.548 56.908 56.400 -0.066 0.000 0.829 103 E CB -0.517 29.132 29.700 -0.085 0.000 0.781 103 E HN 0.231 nan 8.360 nan 0.000 0.466 104 A N 1.769 124.554 122.820 -0.057 0.000 2.346 104 A HA 0.318 4.638 4.320 0.000 0.000 0.242 104 A C 0.902 178.467 177.584 -0.030 0.000 1.323 104 A CA 0.442 52.454 52.037 -0.043 0.000 0.940 104 A CB -0.655 18.326 19.000 -0.033 0.000 0.943 104 A HN 0.085 nan 8.150 nan 0.000 0.501 105 G N -1.616 107.162 108.800 -0.036 0.000 2.379 105 G HA2 0.625 4.585 3.960 0.000 0.000 0.327 105 G HA3 0.625 4.585 3.960 0.000 0.000 0.327 105 G C 0.364 175.254 174.900 -0.017 0.000 1.145 105 G CA 0.180 45.260 45.100 -0.032 0.000 0.905 105 G HN 1.410 nan 8.290 nan 0.000 0.466 106 G N 0.737 109.528 108.800 -0.016 0.000 2.466 106 G HA2 -0.069 3.892 3.960 0.000 0.000 0.218 106 G HA3 -0.069 3.892 3.960 0.000 0.000 0.218 106 G C 1.162 176.190 174.900 0.212 0.000 1.237 106 G CA 0.739 45.819 45.100 -0.033 0.000 0.954 106 G HN 1.422 nan 8.290 nan 0.000 0.580 107 S N -0.828 115.106 115.700 0.391 0.000 2.365 107 S HA 0.415 4.885 4.470 0.000 0.000 0.194 107 S C 2.023 176.673 174.600 0.083 0.000 1.093 107 S CA 3.046 61.436 58.200 0.318 0.000 1.224 107 S CB -0.461 62.945 63.200 0.343 0.000 0.961 107 S HN 2.686 nan 8.310 nan 0.000 0.412 108 G N -0.730 108.068 108.800 -0.003 0.000 3.246 108 G HA2 -0.076 3.884 3.960 0.000 0.000 0.218 108 G HA3 -0.076 3.884 3.960 0.000 0.000 0.218 108 G C 0.690 175.501 174.900 -0.149 0.000 0.978 108 G CA 0.292 45.348 45.100 -0.074 0.000 0.825 108 G HN 0.421 nan 8.290 nan 0.000 0.546 109 I N 2.507 122.926 120.570 -0.251 0.000 2.193 109 I HA 0.073 4.243 4.170 0.000 0.000 0.240 109 I C 0.418 176.326 176.117 -0.349 0.000 1.084 109 I CA 1.577 62.633 61.300 -0.406 0.000 1.365 109 I CB -0.682 36.811 38.000 -0.846 0.000 1.064 109 I HN 0.131 nan 8.210 nan 0.000 0.410 110 P HA -0.230 nan 4.420 nan 0.000 0.218 110 P C 1.453 178.706 177.300 -0.079 0.000 1.146 110 P CA 1.565 64.598 63.100 -0.113 0.000 0.813 110 P CB 0.090 31.813 31.700 0.039 0.000 0.778 111 E N 0.311 120.458 120.200 -0.088 0.000 2.030 111 E HA -0.074 4.276 4.350 0.000 0.000 0.189 111 E C 2.150 178.697 176.600 -0.089 0.000 0.974 111 E CA 0.640 56.997 56.400 -0.070 0.000 0.807 111 E CB -0.389 29.274 29.700 -0.062 0.000 0.771 111 E HN 0.051 nan 8.360 nan 0.000 0.451 112 I N 1.874 122.375 120.570 -0.115 0.000 2.335 112 I HA -0.238 3.933 4.170 0.000 0.000 0.251 112 I C 2.477 178.514 176.117 -0.134 0.000 1.129 112 I CA 1.291 62.520 61.300 -0.118 0.000 1.402 112 I CB -1.064 36.854 38.000 -0.137 0.000 1.069 112 I HN 0.333 nan 8.210 nan 0.000 0.424 113 E N 0.974 121.081 120.200 -0.155 0.000 2.204 113 E HA -0.148 4.203 4.350 0.000 0.000 0.194 113 E C 2.253 178.791 176.600 -0.105 0.000 0.989 113 E CA 1.196 57.503 56.400 -0.156 0.000 0.824 113 E CB -0.083 29.518 29.700 -0.164 0.000 0.756 113 E HN 0.469 nan 8.360 nan 0.000 0.477 114 G N 0.431 109.184 108.800 -0.078 0.000 2.411 114 G HA2 -0.082 3.878 3.960 0.000 0.000 0.213 114 G HA3 -0.082 3.878 3.960 0.000 0.000 0.213 114 G C 1.625 176.493 174.900 -0.053 0.000 1.166 114 G CA 0.406 45.476 45.100 -0.050 0.000 0.802 114 G HN 0.347 nan 8.290 nan 0.000 0.533 115 A N 0.415 123.200 122.820 -0.058 0.000 2.186 115 A HA 0.122 4.443 4.320 0.000 0.000 0.219 115 A C 2.156 179.701 177.584 -0.065 0.000 1.159 115 A CA 0.826 52.839 52.037 -0.039 0.000 0.680 115 A CB -0.293 18.687 19.000 -0.034 0.000 0.787 115 A HN 0.376 nan 8.150 nan 0.000 0.467 116 L N -1.185 119.954 121.223 -0.140 0.000 2.558 116 L HA 0.072 4.412 4.340 0.000 0.000 0.225 116 L C 1.697 178.372 176.870 -0.325 0.000 1.128 116 L CA 0.299 54.958 54.840 -0.303 0.000 0.868 116 L CB -0.022 41.860 42.059 -0.295 0.000 1.006 116 L HN 0.301 nan 8.230 nan 0.000 0.454 117 E N -0.727 119.397 120.200 -0.126 0.000 2.489 117 E HA 0.020 4.371 4.350 0.000 0.000 0.204 117 E C -0.567 176.049 176.600 0.026 0.000 1.006 117 E CA 0.110 56.484 56.400 -0.043 0.000 0.936 117 E CB 0.600 30.290 29.700 -0.016 0.000 1.002 117 E HN 0.215 nan 8.360 nan 0.000 0.488 118 D N 1.394 121.814 120.400 0.034 0.000 3.585 118 D HA -0.126 4.514 4.640 0.000 0.000 0.251 118 D C -0.465 175.859 176.300 0.040 0.000 1.065 118 D CA 0.878 54.919 54.000 0.069 0.000 1.048 118 D CB -0.929 39.939 40.800 0.113 0.000 0.952 118 D HN 0.202 nan 8.370 nan 0.000 0.421 119 Q N -0.608 119.206 119.800 0.023 0.000 2.776 119 Q HA 0.354 4.695 4.340 0.000 0.000 0.289 119 Q C -0.475 175.527 176.000 0.004 0.000 0.912 119 Q CA -0.863 54.949 55.803 0.014 0.000 0.789 119 Q CB 1.178 29.920 28.738 0.006 0.000 1.498 119 Q HN 0.154 nan 8.270 nan 0.000 0.408 120 R N -0.174 120.327 120.500 0.001 0.000 3.188 120 R HA -0.133 4.207 4.340 0.000 0.000 0.247 120 R C -2.381 173.910 176.300 -0.014 0.000 0.918 120 R CA 0.533 56.627 56.100 -0.011 0.000 0.629 120 R CB -2.052 28.236 30.300 -0.019 0.000 1.087 120 R HN 0.526 nan 8.270 nan 0.000 0.462 121 P HA -0.072 nan 4.420 nan 0.000 0.272 121 P C 0.138 177.418 177.300 -0.034 0.000 1.225 121 P CA 0.093 63.200 63.100 0.012 0.000 0.800 121 P CB 0.594 32.322 31.700 0.046 0.000 0.894 122 V N 2.727 122.631 119.914 -0.017 0.000 2.398 122 V HA 0.296 4.416 4.120 0.000 0.000 0.286 122 V C 0.988 176.943 176.094 -0.233 0.000 1.026 122 V CA -0.435 61.822 62.300 -0.072 0.000 0.868 122 V CB 0.977 32.817 31.823 0.029 0.000 0.982 122 V HN 0.566 nan 8.190 nan 0.000 0.443 123 R N 4.451 124.603 120.500 -0.580 0.000 2.664 123 R HA 0.134 4.474 4.340 0.000 0.000 0.281 123 R C 0.509 176.070 176.300 -1.231 0.000 1.383 123 R CA -0.623 54.515 56.100 -1.603 0.000 1.563 123 R CB -0.375 28.847 30.300 -1.796 0.000 1.131 123 R HN 0.866 nan 8.270 nan 0.000 0.599 124 W N 2.229 123.185 121.300 -0.573 0.000 2.321 124 W HA -0.200 4.461 4.660 0.000 0.000 0.306 124 W C 1.275 177.685 176.519 -0.182 0.000 1.217 124 W CA 1.042 58.235 57.345 -0.254 0.000 1.257 124 W CB -0.977 28.452 29.460 -0.053 0.000 1.145 124 W HN 0.601 nan 8.180 nan 0.000 0.509 125 W N 1.373 122.126 121.300 -0.912 0.000 2.316 125 W HA -0.175 4.486 4.660 0.000 0.000 0.279 125 W C 1.882 178.322 176.519 -0.132 0.000 1.208 125 W CA 2.000 59.072 57.345 -0.456 0.000 1.182 125 W CB -1.175 27.927 29.460 -0.597 0.000 1.134 125 W HN -0.033 nan 8.180 nan 0.000 0.560 126 R N 0.020 120.291 120.500 -0.381 0.000 2.055 126 R HA 0.081 4.421 4.340 0.000 0.000 0.190 126 R C 2.341 178.587 176.300 -0.089 0.000 1.443 126 R CA 0.720 56.735 56.100 -0.143 0.000 1.188 126 R CB -0.833 29.346 30.300 -0.202 0.000 1.068 126 R HN 0.025 nan 8.270 nan 0.000 0.475 127 V N 2.902 122.707 119.914 -0.181 0.000 2.357 127 V HA -0.338 3.782 4.120 0.000 0.000 0.257 127 V C 2.401 178.499 176.094 0.006 0.000 1.082 127 V CA 1.870 64.116 62.300 -0.089 0.000 1.078 127 V CB -0.691 31.050 31.823 -0.136 0.000 0.663 127 V HN 0.289 nan 8.190 nan 0.000 0.455 128 L N 0.385 121.641 121.223 0.055 0.000 1.933 128 L HA -0.137 4.203 4.340 0.000 0.000 0.220 128 L C 0.431 177.425 176.870 0.208 0.000 1.078 128 L CA 2.438 57.358 54.840 0.134 0.000 0.773 128 L CB -2.118 40.067 42.059 0.210 0.000 0.890 128 L HN 0.345 nan 8.230 nan 0.000 0.434 129 P HA -0.112 nan 4.420 nan 0.000 0.221 129 P C 1.696 179.198 177.300 0.337 0.000 1.145 129 P CA 1.264 64.559 63.100 0.326 0.000 0.795 129 P CB 0.077 31.936 31.700 0.265 0.000 0.775 130 V N 1.022 121.045 119.914 0.183 0.000 2.239 130 V HA -0.177 3.943 4.120 0.000 0.000 0.242 130 V C 2.763 178.961 176.094 0.174 0.000 1.038 130 V CA 2.065 64.442 62.300 0.129 0.000 1.002 130 V CB -1.249 30.602 31.823 0.046 0.000 0.641 130 V HN 0.046 nan 8.190 nan 0.000 0.449 131 K N 0.182 120.651 120.400 0.114 0.000 2.074 131 K HA -0.188 4.132 4.320 0.000 0.000 0.209 131 K C 1.989 178.681 176.600 0.153 0.000 1.048 131 K CA 1.764 58.097 56.287 0.076 0.000 0.926 131 K CB -0.773 31.714 32.500 -0.021 0.000 0.713 131 K HN 0.470 nan 8.250 nan 0.000 0.444 132 F N -0.785 119.148 119.950 -0.029 0.000 2.026 132 F HA -0.244 4.283 4.527 0.000 0.000 0.296 132 F C 1.588 177.390 175.800 0.003 0.000 1.133 132 F CA 1.300 59.255 58.000 -0.073 0.000 1.188 132 F CB -0.131 38.754 39.000 -0.192 0.000 0.968 132 F HN 0.011 nan 8.300 nan 0.000 0.476 133 F N 0.648 120.783 119.950 0.307 0.000 2.259 133 F HA 0.037 4.565 4.527 0.000 0.000 0.298 133 F C 2.548 178.480 175.800 0.220 0.000 1.088 133 F CA 1.090 59.183 58.000 0.155 0.000 1.358 133 F CB -1.330 37.712 39.000 0.069 0.000 1.040 133 F HN 0.026 nan 8.300 nan 0.000 0.505 134 G N 0.048 109.088 108.800 0.400 0.000 2.480 134 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 134 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 134 G C 2.072 177.131 174.900 0.265 0.000 1.200 134 G CA 0.939 46.223 45.100 0.307 0.000 0.782 134 G HN 0.480 nan 8.290 nan 0.000 0.554 135 G N 0.564 109.535 108.800 0.284 0.000 2.418 135 G HA2 -0.123 3.838 3.960 0.000 0.000 0.217 135 G HA3 -0.123 3.838 3.960 0.000 0.000 0.217 135 G C 1.746 176.856 174.900 0.351 0.000 1.158 135 G CA 0.914 46.208 45.100 0.324 0.000 0.771 135 G HN 0.390 nan 8.290 nan 0.000 0.545 136 L N 1.712 123.187 121.223 0.421 0.000 2.189 136 L HA 0.029 4.369 4.340 0.000 0.000 0.214 136 L C 2.554 179.460 176.870 0.060 0.000 1.097 136 L CA 2.005 56.926 54.840 0.135 0.000 0.764 136 L CB -0.718 41.439 42.059 0.164 0.000 0.900 136 L HN 0.179 nan 8.230 nan 0.000 0.436 137 G N -2.074 106.793 108.800 0.111 0.000 2.473 137 G HA2 -0.178 3.782 3.960 0.000 0.000 0.212 137 G HA3 -0.178 3.782 3.960 0.000 0.000 0.212 137 G C 1.446 176.404 174.900 0.097 0.000 1.211 137 G CA 0.962 46.098 45.100 0.060 0.000 0.813 137 G HN 0.453 nan 8.290 nan 0.000 0.541 138 T N 0.828 115.468 114.554 0.142 0.000 2.665 138 T HA -0.102 4.248 4.350 0.000 0.000 0.268 138 T C 2.437 177.202 174.700 0.108 0.000 1.035 138 T CA 1.417 63.598 62.100 0.135 0.000 1.151 138 T CB -0.439 68.499 68.868 0.115 0.000 0.862 138 T HN 0.139 nan 8.240 nan 0.000 0.438 139 L N 0.932 122.220 121.223 0.108 0.000 2.072 139 L HA 0.163 4.503 4.340 0.000 0.000 0.205 139 L C 3.225 180.111 176.870 0.026 0.000 1.079 139 L CA 1.288 56.174 54.840 0.077 0.000 0.752 139 L CB -1.148 40.967 42.059 0.093 0.000 0.906 139 L HN 0.475 nan 8.230 nan 0.000 0.436 140 G N -0.304 108.496 108.800 -0.001 0.000 2.498 140 G HA2 -0.141 3.820 3.960 0.000 0.000 0.219 140 G HA3 -0.141 3.820 3.960 0.000 0.000 0.219 140 G C 1.503 176.397 174.900 -0.011 0.000 1.119 140 G CA 0.670 45.756 45.100 -0.023 0.000 0.766 140 G HN 0.496 nan 8.290 nan 0.000 0.552 141 G N -0.274 108.536 108.800 0.017 0.000 2.464 141 G HA2 0.337 4.297 3.960 0.000 0.000 0.217 141 G HA3 0.337 4.297 3.960 0.000 0.000 0.217 141 G C 1.201 176.111 174.900 0.017 0.000 1.138 141 G CA 0.601 45.711 45.100 0.018 0.000 0.793 141 G HN 1.418 nan 8.290 nan 0.000 0.539 142 G N -0.567 108.249 108.800 0.027 0.000 2.141 142 G HA2 -0.219 3.742 3.960 0.000 0.000 0.195 142 G HA3 -0.219 3.742 3.960 0.000 0.000 0.195 142 G C 0.284 175.206 174.900 0.037 0.000 1.012 142 G CA 0.072 45.188 45.100 0.028 0.000 0.696 142 G HN 0.376 nan 8.290 nan 0.000 0.508 143 M N 0.061 119.693 119.600 0.054 0.000 2.228 143 M HA 0.343 4.824 4.480 0.000 0.000 0.326 143 M C 1.258 177.596 176.300 0.063 0.000 1.122 143 M CA -0.378 54.964 55.300 0.071 0.000 1.161 143 M CB 1.263 33.928 32.600 0.109 0.000 1.437 143 M HN -0.085 nan 8.290 nan 0.000 0.465 144 V N 4.310 124.265 119.914 0.069 0.000 1.935 144 V HA 0.105 4.226 4.120 0.000 0.000 0.262 144 V C -0.054 176.089 176.094 0.081 0.000 1.726 144 V CA 0.444 62.776 62.300 0.053 0.000 1.656 144 V CB -1.856 30.000 31.823 0.056 0.000 1.532 144 V HN 0.516 nan 8.190 nan 0.000 0.509 145 L N 1.346 122.616 121.223 0.079 0.000 2.386 145 L HA 0.741 5.081 4.340 0.000 0.000 0.271 145 L C 0.798 177.716 176.870 0.080 0.000 0.993 145 L CA -0.520 54.388 54.840 0.113 0.000 0.819 145 L CB 1.961 44.114 42.059 0.156 0.000 1.294 145 L HN 0.448 nan 8.230 nan 0.000 0.414 146 G N 0.884 109.741 108.800 0.095 0.000 2.537 146 G HA2 0.358 4.318 3.960 0.000 0.000 0.273 146 G HA3 0.358 4.318 3.960 0.000 0.000 0.273 146 G C 0.492 175.492 174.900 0.168 0.000 1.189 146 G CA -0.569 44.597 45.100 0.110 0.000 0.881 146 G HN 0.855 nan 8.290 nan 0.000 0.535 147 R N -0.520 120.106 120.500 0.210 0.000 2.388 147 R HA 0.218 4.559 4.340 0.000 0.000 0.247 147 R C 0.650 176.990 176.300 0.067 0.000 0.931 147 R CA 0.094 56.329 56.100 0.226 0.000 1.082 147 R CB 0.295 30.811 30.300 0.360 0.000 1.135 147 R HN 0.431 nan 8.270 nan 0.000 0.525 148 E N 1.791 122.013 120.200 0.036 0.000 2.021 148 E HA 0.016 4.366 4.350 0.000 0.000 0.189 148 E C 2.072 178.585 176.600 -0.145 0.000 0.980 148 E CA 1.357 57.668 56.400 -0.149 0.000 0.803 148 E CB -0.718 28.882 29.700 -0.167 0.000 0.766 148 E HN 0.374 nan 8.360 nan 0.000 0.449 149 G N 2.526 111.297 108.800 -0.049 0.000 2.802 149 G HA2 -0.304 3.656 3.960 0.000 0.000 0.222 149 G HA3 -0.304 3.656 3.960 0.000 0.000 0.222 149 G C -0.770 174.050 174.900 -0.133 0.000 1.248 149 G CA 1.897 46.967 45.100 -0.050 0.000 0.787 149 G HN 0.296 nan 8.290 nan 0.000 0.643 150 P HA -0.234 nan 4.420 nan 0.000 0.216 150 P C 2.233 179.274 177.300 -0.432 0.000 1.167 150 P CA 3.305 66.198 63.100 -0.344 0.000 0.914 150 P CB -0.823 30.544 31.700 -0.556 0.000 0.793 151 T N -2.018 112.265 114.554 -0.452 0.000 2.708 151 T HA -0.110 4.240 4.350 0.000 0.000 0.266 151 T C 2.053 176.585 174.700 -0.280 0.000 1.037 151 T CA 1.683 63.549 62.100 -0.389 0.000 1.146 151 T CB -1.617 67.061 68.868 -0.316 0.000 0.865 151 T HN -0.103 nan 8.240 nan 0.000 0.435 152 V N 1.972 121.739 119.914 -0.244 0.000 2.287 152 V HA -0.232 3.888 4.120 0.000 0.000 0.248 152 V C 2.932 178.921 176.094 -0.174 0.000 1.053 152 V CA 2.328 64.511 62.300 -0.195 0.000 1.027 152 V CB -0.964 30.752 31.823 -0.178 0.000 0.646 152 V HN 0.583 nan 8.190 nan 0.000 0.447 153 Q N -0.179 119.516 119.800 -0.175 0.000 1.969 153 Q HA -0.147 4.193 4.340 0.000 0.000 0.198 153 Q C 2.256 178.172 176.000 -0.140 0.000 0.978 153 Q CA 1.967 57.684 55.803 -0.144 0.000 0.830 153 Q CB -0.231 28.431 28.738 -0.127 0.000 0.896 153 Q HN 0.593 nan 8.270 nan 0.000 0.431 154 I N 0.759 121.221 120.570 -0.180 0.000 2.381 154 I HA -0.304 3.866 4.170 0.000 0.000 0.255 154 I C 2.141 178.169 176.117 -0.149 0.000 1.140 154 I CA 1.206 62.403 61.300 -0.171 0.000 1.404 154 I CB -0.593 37.233 38.000 -0.291 0.000 1.075 154 I HN 0.458 nan 8.210 nan 0.000 0.433 155 G N 0.335 109.035 108.800 -0.168 0.000 2.404 155 G HA2 -0.128 3.832 3.960 0.000 0.000 0.214 155 G HA3 -0.128 3.832 3.960 0.000 0.000 0.214 155 G C 1.717 176.551 174.900 -0.110 0.000 1.189 155 G CA 0.697 45.711 45.100 -0.144 0.000 0.789 155 G HN 0.470 nan 8.290 nan 0.000 0.533 156 G N 1.067 109.805 108.800 -0.104 0.000 2.440 156 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 156 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 156 G C 1.745 176.614 174.900 -0.052 0.000 1.154 156 G CA 1.352 46.404 45.100 -0.080 0.000 0.767 156 G HN 0.433 nan 8.290 nan 0.000 0.552 157 N N 0.723 119.402 118.700 -0.036 0.000 2.039 157 N HA -0.070 4.670 4.740 0.000 0.000 0.193 157 N C 2.085 177.577 175.510 -0.030 0.000 1.044 157 N CA 0.834 53.902 53.050 0.030 0.000 0.847 157 N CB -0.327 38.195 38.487 0.059 0.000 1.030 157 N HN 0.134 nan 8.380 nan 0.000 0.422 158 I N 0.852 121.385 120.570 -0.061 0.000 2.623 158 I HA -0.168 4.002 4.170 0.000 0.000 0.261 158 I C 2.031 178.065 176.117 -0.138 0.000 1.204 158 I CA 0.975 62.212 61.300 -0.105 0.000 1.444 158 I CB -1.746 36.199 38.000 -0.092 0.000 1.094 158 I HN 0.155 nan 8.210 nan 0.000 0.451 159 G N 2.226 110.959 108.800 -0.111 0.000 2.616 159 G HA2 -0.248 3.713 3.960 0.000 0.000 0.215 159 G HA3 -0.248 3.713 3.960 0.000 0.000 0.215 159 G C 1.666 176.489 174.900 -0.128 0.000 1.284 159 G CA 0.792 45.830 45.100 -0.102 0.000 0.823 159 G HN 0.464 nan 8.290 nan 0.000 0.569 160 R N -0.012 120.426 120.500 -0.102 0.000 2.193 160 R HA 0.139 4.479 4.340 0.000 0.000 0.229 160 R C 2.375 178.417 176.300 -0.431 0.000 1.110 160 R CA 1.391 57.422 56.100 -0.115 0.000 0.988 160 R CB -0.548 29.786 30.300 0.057 0.000 0.871 160 R HN 0.425 nan 8.270 nan 0.000 0.458 161 M N 1.942 121.109 119.600 -0.721 0.000 2.082 161 M HA -0.167 4.313 4.480 0.000 0.000 0.258 161 M C 1.933 177.800 176.300 -0.722 0.000 1.069 161 M CA 2.466 56.872 55.300 -1.490 0.000 1.102 161 M CB -0.036 31.871 32.600 -1.155 0.000 1.336 161 M HN 0.236 nan 8.290 nan 0.000 0.404 162 V N -1.173 118.546 119.914 -0.325 0.000 3.380 162 V HA -0.091 4.029 4.120 0.000 0.000 0.268 162 V C 1.975 178.093 176.094 0.040 0.000 1.168 162 V CA 0.813 63.092 62.300 -0.036 0.000 1.156 162 V CB -1.026 30.804 31.823 0.012 0.000 0.785 162 V HN 0.558 nan 8.190 nan 0.000 0.487 163 L N 1.363 122.541 121.223 -0.075 0.000 2.131 163 L HA 0.127 4.467 4.340 0.000 0.000 0.206 163 L C 1.812 178.704 176.870 0.037 0.000 1.087 163 L CA 2.075 56.916 54.840 0.002 0.000 0.767 163 L CB -0.605 41.449 42.059 -0.008 0.000 0.917 163 L HN 0.276 nan 8.230 nan 0.000 0.441 164 D N -0.747 119.627 120.400 -0.043 0.000 2.213 164 D HA -0.004 4.637 4.640 0.000 0.000 0.205 164 D C 2.274 178.597 176.300 0.038 0.000 0.961 164 D CA 1.079 55.108 54.000 0.050 0.000 0.853 164 D CB 0.046 40.955 40.800 0.183 0.000 0.967 164 D HN 0.332 nan 8.370 nan 0.000 0.496 165 I N -0.470 120.084 120.570 -0.028 0.000 2.394 165 I HA -0.188 3.982 4.170 0.000 0.000 0.251 165 I C 0.929 176.906 176.117 -0.233 0.000 1.136 165 I CA 1.002 62.239 61.300 -0.104 0.000 1.425 165 I CB 0.006 37.926 38.000 -0.133 0.000 1.079 165 I HN -0.025 nan 8.210 nan 0.000 0.425 166 F N 0.784 120.727 119.950 -0.012 0.000 2.678 166 F HA 0.217 4.744 4.527 0.000 0.000 0.305 166 F C 0.594 176.399 175.800 0.008 0.000 1.090 166 F CA -0.621 57.382 58.000 0.004 0.000 1.272 166 F CB 0.175 39.181 39.000 0.010 0.000 1.060 166 F HN -0.018 nan 8.300 nan 0.000 0.576 167 R N 0.962 121.545 120.500 0.139 0.000 2.533 167 R HA -0.212 4.128 4.340 0.000 0.000 0.280 167 R C -1.535 174.823 176.300 0.097 0.000 0.989 167 R CA 0.214 56.373 56.100 0.099 0.000 0.864 167 R CB -2.350 27.989 30.300 0.066 0.000 2.274 167 R HN 0.347 nan 8.270 nan 0.000 0.522 168 L N 1.719 122.995 121.223 0.087 0.000 2.334 168 L HA 0.582 4.922 4.340 0.000 0.000 0.272 168 L C 0.313 177.209 176.870 0.044 0.000 1.020 168 L CA -1.322 53.555 54.840 0.063 0.000 0.812 168 L CB 1.708 43.800 42.059 0.054 0.000 1.264 168 L HN 0.388 nan 8.230 nan 0.000 0.439 169 K N 0.360 120.779 120.400 0.031 0.000 2.245 169 K HA 0.870 5.191 4.320 0.000 0.000 0.234 169 K C -0.185 176.417 176.600 0.004 0.000 1.021 169 K CA 0.045 56.344 56.287 0.020 0.000 0.898 169 K CB 1.536 34.047 32.500 0.018 0.000 1.163 169 K HN 0.767 nan 8.250 nan 0.000 0.459 170 G N 0.531 109.327 108.800 -0.007 0.000 2.707 170 G HA2 -0.173 3.788 3.960 0.000 0.000 0.686 170 G HA3 -0.173 3.788 3.960 0.000 0.000 0.686 170 G C -0.517 174.344 174.900 -0.064 0.000 1.315 170 G CA -0.244 44.840 45.100 -0.027 0.000 0.832 170 G HN 0.510 nan 8.290 nan 0.000 0.573 171 D N -0.188 120.144 120.400 -0.114 0.000 2.249 171 D HA 0.111 4.751 4.640 0.000 0.000 0.205 171 D C 1.941 178.096 176.300 -0.242 0.000 0.962 171 D CA 1.236 55.077 54.000 -0.265 0.000 0.860 171 D CB -0.028 40.572 40.800 -0.333 0.000 0.955 171 D HN 0.586 nan 8.370 nan 0.000 0.505 172 E N 1.746 121.879 120.200 -0.112 0.000 2.012 172 E HA -0.194 4.156 4.350 0.000 0.000 0.211 172 E C 1.911 178.496 176.600 -0.024 0.000 1.029 172 E CA 1.927 58.298 56.400 -0.048 0.000 0.867 172 E CB -0.532 29.158 29.700 -0.018 0.000 0.790 172 E HN 0.083 nan 8.360 nan 0.000 0.482 173 A N 0.283 123.095 122.820 -0.014 0.000 2.139 173 A HA -0.230 4.090 4.320 0.000 0.000 0.221 173 A C 2.220 179.810 177.584 0.011 0.000 1.159 173 A CA 1.918 53.956 52.037 0.002 0.000 0.662 173 A CB -0.637 18.367 19.000 0.006 0.000 0.796 173 A HN 0.297 nan 8.150 nan 0.000 0.463 174 R N -1.409 119.092 120.500 0.002 0.000 2.048 174 R HA -0.033 4.307 4.340 0.000 0.000 0.224 174 R C 2.054 178.421 176.300 0.112 0.000 1.163 174 R CA 1.166 57.290 56.100 0.040 0.000 0.956 174 R CB -0.496 29.818 30.300 0.023 0.000 0.849 174 R HN 0.728 nan 8.270 nan 0.000 0.435 175 H N -0.688 118.376 119.070 -0.011 0.000 2.353 175 H HA -0.135 4.421 4.556 0.000 0.000 0.298 175 H C 1.866 177.170 175.328 -0.040 0.000 1.103 175 H CA 1.610 57.642 56.048 -0.028 0.000 1.293 175 H CB 0.088 29.828 29.762 -0.036 0.000 1.372 175 H HN 0.303 nan 8.280 nan 0.000 0.501 176 T N 1.455 116.068 114.554 0.098 0.000 2.564 176 T HA -0.125 4.226 4.350 0.000 0.000 0.259 176 T C 2.073 176.776 174.700 0.006 0.000 1.087 176 T CA 0.674 62.793 62.100 0.032 0.000 1.184 176 T CB -0.339 68.540 68.868 0.020 0.000 0.864 176 T HN 0.154 nan 8.240 nan 0.000 0.403 177 L N 0.890 122.115 121.223 0.002 0.000 2.456 177 L HA -0.113 4.228 4.340 0.000 0.000 0.225 177 L C 2.209 179.061 176.870 -0.030 0.000 1.142 177 L CA 1.182 56.010 54.840 -0.020 0.000 0.796 177 L CB -1.002 41.045 42.059 -0.020 0.000 0.920 177 L HN 0.268 nan 8.230 nan 0.000 0.446 178 L N -0.326 120.888 121.223 -0.015 0.000 2.116 178 L HA 0.064 4.404 4.340 0.000 0.000 0.200 178 L C 2.646 179.481 176.870 -0.058 0.000 1.084 178 L CA 1.816 56.637 54.840 -0.030 0.000 0.766 178 L CB -0.746 41.306 42.059 -0.010 0.000 0.930 178 L HN 0.088 nan 8.230 nan 0.000 0.453 179 A N -0.717 122.066 122.820 -0.061 0.000 1.903 179 A HA -0.352 3.968 4.320 0.000 0.000 0.219 179 A C 2.400 179.937 177.584 -0.078 0.000 1.191 179 A CA 3.265 55.251 52.037 -0.085 0.000 0.638 179 A CB -1.680 17.271 19.000 -0.081 0.000 0.823 179 A HN 0.666 nan 8.150 nan 0.000 0.451 180 T N -2.433 112.084 114.554 -0.061 0.000 2.708 180 T HA -0.009 4.341 4.350 0.000 0.000 0.266 180 T C 1.952 176.604 174.700 -0.079 0.000 1.037 180 T CA 1.975 64.037 62.100 -0.063 0.000 1.146 180 T CB -1.158 67.680 68.868 -0.050 0.000 0.865 180 T HN 0.586 nan 8.240 nan 0.000 0.435 181 G N 1.076 109.828 108.800 -0.080 0.000 2.475 181 G HA2 -0.005 3.956 3.960 0.000 0.000 0.220 181 G HA3 -0.005 3.956 3.960 0.000 0.000 0.220 181 G C 1.882 176.719 174.900 -0.105 0.000 1.125 181 G CA 1.073 46.118 45.100 -0.093 0.000 0.755 181 G HN 0.827 nan 8.290 nan 0.000 0.565 182 A N 0.960 123.719 122.820 -0.102 0.000 1.874 182 A HA 0.439 4.759 4.320 0.000 0.000 0.214 182 A C 2.829 180.359 177.584 -0.091 0.000 1.189 182 A CA 1.955 53.927 52.037 -0.108 0.000 0.615 182 A CB -0.816 18.113 19.000 -0.118 0.000 0.830 182 A HN 0.728 nan 8.150 nan 0.000 0.443 183 A N 0.174 122.946 122.820 -0.079 0.000 1.858 183 A HA 0.122 4.442 4.320 0.000 0.000 0.216 183 A C 2.508 180.031 177.584 -0.101 0.000 1.190 183 A CA 2.291 54.288 52.037 -0.067 0.000 0.617 183 A CB -1.228 17.725 19.000 -0.079 0.000 0.827 183 A HN 1.175 nan 8.150 nan 0.000 0.443 184 A N -0.603 122.154 122.820 -0.105 0.000 2.084 184 A HA 0.080 4.400 4.320 0.000 0.000 0.221 184 A C 2.254 179.757 177.584 -0.134 0.000 1.161 184 A CA 2.040 54.011 52.037 -0.111 0.000 0.653 184 A CB -1.288 17.653 19.000 -0.098 0.000 0.802 184 A HN 0.729 nan 8.150 nan 0.000 0.457 185 G N -0.079 108.633 108.800 -0.147 0.000 2.556 185 G HA2 -0.089 3.871 3.960 0.000 0.000 0.215 185 G HA3 -0.089 3.871 3.960 0.000 0.000 0.215 185 G C 1.428 176.183 174.900 -0.241 0.000 1.258 185 G CA 0.950 45.938 45.100 -0.187 0.000 0.811 185 G HN 0.544 nan 8.290 nan 0.000 0.557 186 L N 1.596 122.667 121.223 -0.254 0.000 2.089 186 L HA -0.065 4.276 4.340 0.000 0.000 0.213 186 L C 3.047 179.692 176.870 -0.376 0.000 1.079 186 L CA 2.341 56.947 54.840 -0.390 0.000 0.758 186 L CB -0.676 41.190 42.059 -0.323 0.000 0.891 186 L HN 0.285 nan 8.230 nan 0.000 0.433 187 A N -0.559 122.123 122.820 -0.229 0.000 1.858 187 A HA -0.110 4.210 4.320 0.000 0.000 0.216 187 A C 2.373 179.830 177.584 -0.212 0.000 1.190 187 A CA 1.916 53.845 52.037 -0.180 0.000 0.617 187 A CB -1.216 17.703 19.000 -0.136 0.000 0.827 187 A HN 0.575 nan 8.150 nan 0.000 0.443 188 A N -0.839 121.858 122.820 -0.205 0.000 2.167 188 A HA 0.402 4.723 4.320 0.000 0.000 0.214 188 A C 2.211 179.634 177.584 -0.269 0.000 1.151 188 A CA 1.377 53.291 52.037 -0.205 0.000 0.735 188 A CB -0.610 18.336 19.000 -0.090 0.000 0.802 188 A HN 0.941 nan 8.150 nan 0.000 0.467 189 A N -1.397 121.238 122.820 -0.307 0.000 2.016 189 A HA 0.242 4.563 4.320 0.000 0.000 0.217 189 A C 1.505 179.035 177.584 -0.090 0.000 1.162 189 A CA 0.976 52.841 52.037 -0.286 0.000 0.662 189 A CB -0.365 18.314 19.000 -0.536 0.000 0.812 189 A HN 0.571 nan 8.150 nan 0.000 0.450 190 F N -2.455 117.380 119.950 -0.192 0.000 2.798 190 F HA 0.184 4.711 4.527 0.000 0.000 0.328 190 F C 0.808 176.406 175.800 -0.337 0.000 1.098 190 F CA -0.016 57.865 58.000 -0.199 0.000 1.172 190 F CB 0.419 39.365 39.000 -0.090 0.000 1.072 190 F HN 0.294 nan 8.300 nan 0.000 0.555 191 N N 2.142 120.631 118.700 -0.352 0.000 2.740 191 N HA -0.234 4.506 4.740 0.000 0.000 0.248 191 N C -0.710 174.729 175.510 -0.118 0.000 1.062 191 N CA 0.693 53.505 53.050 -0.396 0.000 0.704 191 N CB -0.893 37.303 38.487 -0.484 0.000 0.968 191 N HN 0.331 nan 8.380 nan 0.000 0.547 192 A N 0.222 123.006 122.820 -0.059 0.000 3.064 192 A HA 0.478 4.798 4.320 0.000 0.000 0.339 192 A C -0.894 176.664 177.584 -0.044 0.000 1.078 192 A CA -0.723 51.308 52.037 -0.010 0.000 0.869 192 A CB 0.844 19.895 19.000 0.085 0.000 1.067 192 A HN 0.297 nan 8.150 nan 0.000 0.480 193 P HA -0.236 nan 4.420 nan 0.000 0.215 193 P C 1.524 178.746 177.300 -0.131 0.000 1.157 193 P CA 1.107 64.146 63.100 -0.103 0.000 0.874 193 P CB 0.163 31.812 31.700 -0.086 0.000 0.790 194 L N -0.880 120.287 121.223 -0.093 0.000 2.083 194 L HA -0.120 4.221 4.340 0.000 0.000 0.209 194 L C 2.823 179.662 176.870 -0.051 0.000 1.083 194 L CA 1.615 56.402 54.840 -0.088 0.000 0.752 194 L CB -1.112 40.925 42.059 -0.038 0.000 0.899 194 L HN -0.021 nan 8.230 nan 0.000 0.433 195 A N 0.212 123.023 122.820 -0.016 0.000 1.929 195 A HA -0.027 4.293 4.320 0.000 0.000 0.216 195 A C 2.391 179.991 177.584 0.026 0.000 1.176 195 A CA 1.333 53.387 52.037 0.028 0.000 0.628 195 A CB -0.969 18.072 19.000 0.068 0.000 0.816 195 A HN 0.415 nan 8.150 nan 0.000 0.444 196 G N 0.463 109.247 108.800 -0.027 0.000 2.459 196 G HA2 -0.223 3.738 3.960 0.000 0.000 0.217 196 G HA3 -0.223 3.738 3.960 0.000 0.000 0.217 196 G C 1.528 176.425 174.900 -0.005 0.000 1.183 196 G CA 1.247 46.324 45.100 -0.038 0.000 0.776 196 G HN 0.466 nan 8.290 nan 0.000 0.552 197 I N 0.446 120.959 120.570 -0.094 0.000 2.090 197 I HA -0.123 4.047 4.170 0.000 0.000 0.236 197 I C 2.649 178.755 176.117 -0.018 0.000 1.064 197 I CA 0.769 61.994 61.300 -0.125 0.000 1.324 197 I CB -0.423 37.387 38.000 -0.317 0.000 1.044 197 I HN 0.063 nan 8.210 nan 0.000 0.399 198 L N -0.035 121.193 121.223 0.008 0.000 2.456 198 L HA -0.259 4.082 4.340 0.000 0.000 0.225 198 L C 2.445 179.400 176.870 0.142 0.000 1.142 198 L CA 1.088 55.965 54.840 0.062 0.000 0.796 198 L CB -0.553 41.545 42.059 0.066 0.000 0.920 198 L HN 0.291 nan 8.230 nan 0.000 0.446 199 F N 0.690 120.616 119.950 -0.041 0.000 2.149 199 F HA -0.074 4.453 4.527 0.000 0.000 0.294 199 F C 2.093 177.857 175.800 -0.059 0.000 1.095 199 F CA 0.897 58.874 58.000 -0.038 0.000 1.276 199 F CB -0.016 38.943 39.000 -0.067 0.000 1.023 199 F HN -0.111 nan 8.300 nan 0.000 0.480 200 I N 2.500 123.008 120.570 -0.103 0.000 3.454 200 I HA -0.088 4.082 4.170 0.000 0.000 0.297 200 I C 1.161 177.181 176.117 -0.162 0.000 1.298 200 I CA 1.086 62.258 61.300 -0.214 0.000 1.297 200 I CB -2.006 35.921 38.000 -0.123 0.000 1.017 200 I HN 0.395 nan 8.210 nan 0.000 0.528 201 I N -3.110 117.392 120.570 -0.114 0.000 3.809 201 I HA 0.322 4.492 4.170 0.000 0.000 0.325 201 I C 0.709 176.789 176.117 -0.061 0.000 1.447 201 I CA -0.002 61.250 61.300 -0.081 0.000 1.027 201 I CB 0.272 38.251 38.000 -0.035 0.000 1.567 201 I HN 0.025 nan 8.210 nan 0.000 0.616 202 E N 0.699 120.856 120.200 -0.073 0.000 2.617 202 E HA 0.050 4.400 4.350 0.000 0.000 0.208 202 E C 0.909 177.471 176.600 -0.063 0.000 0.888 202 E CA 0.311 56.691 56.400 -0.033 0.000 1.485 202 E CB 0.865 30.590 29.700 0.041 0.000 1.482 202 E HN 0.434 nan 8.360 nan 0.000 0.813 203 E N -0.314 119.783 120.200 -0.172 0.000 3.034 203 E HA 0.181 4.532 4.350 0.000 0.000 0.237 203 E C 1.552 177.944 176.600 -0.346 0.000 1.117 203 E CA 0.386 56.644 56.400 -0.237 0.000 0.969 203 E CB -0.202 29.311 29.700 -0.311 0.000 2.998 203 E HN -0.032 nan 8.360 nan 0.000 0.581 204 M N 1.327 120.540 119.600 -0.645 0.000 3.948 204 M HA -0.278 4.202 4.480 0.000 0.000 0.286 204 M C 0.922 177.048 176.300 -0.290 0.000 0.972 204 M CA 2.163 57.163 55.300 -0.501 0.000 1.017 204 M CB -2.366 29.893 32.600 -0.568 0.000 1.295 204 M HN 0.379 nan 8.290 nan 0.000 0.629 205 R N 2.574 122.918 120.500 -0.260 0.000 2.598 205 R HA -0.005 4.335 4.340 0.000 0.000 0.266 205 R C -2.391 173.818 176.300 -0.151 0.000 0.977 205 R CA -0.417 55.564 56.100 -0.198 0.000 1.097 205 R CB -1.398 28.798 30.300 -0.173 0.000 0.911 205 R HN 0.280 nan 8.270 nan 0.000 0.419 206 P HA -0.095 nan 4.420 nan 0.000 0.263 206 P C -0.699 176.577 177.300 -0.040 0.000 1.195 206 P CA 0.352 63.422 63.100 -0.050 0.000 0.762 206 P CB 0.795 32.457 31.700 -0.063 0.000 0.799 207 Q N 1.381 121.167 119.800 -0.024 0.000 2.282 207 Q HA 0.138 4.479 4.340 0.000 0.000 0.206 207 Q C 0.269 176.033 176.000 -0.394 0.000 0.878 207 Q CA 0.553 56.207 55.803 -0.249 0.000 0.944 207 Q CB 0.043 28.514 28.738 -0.445 0.000 1.100 207 Q HN 0.520 nan 8.270 nan 0.000 0.509 208 F N 0.880 120.832 119.950 0.004 0.000 2.654 208 F HA 0.258 4.786 4.527 0.001 0.000 0.303 208 F C 0.277 176.099 175.800 0.037 0.000 1.099 208 F CA -0.342 57.670 58.000 0.020 0.000 1.270 208 F CB 0.670 39.681 39.000 0.018 0.000 1.024 208 F HN -0.107 nan 8.300 nan 0.000 0.548 209 R N -1.799 118.804 120.500 0.170 0.000 2.633 209 R HA 0.207 4.548 4.340 0.000 0.000 0.255 209 R C -1.225 175.172 176.300 0.161 0.000 1.106 209 R CA -0.995 55.203 56.100 0.163 0.000 0.959 209 R CB 0.173 30.571 30.300 0.163 0.000 1.259 209 R HN -0.049 nan 8.270 nan 0.000 0.453 210 Y N 2.415 122.742 120.300 0.044 0.000 3.142 210 Y HA -0.122 4.428 4.550 0.000 0.000 0.347 210 Y C -0.375 175.558 175.900 0.054 0.000 1.269 210 Y CA 1.719 59.841 58.100 0.037 0.000 1.560 210 Y CB 0.579 39.060 38.460 0.034 0.000 1.220 210 Y HN 0.769 nan 8.280 nan 0.000 0.626 211 T N 6.051 120.322 114.554 -0.471 0.000 2.922 211 T HA 0.503 4.853 4.350 0.000 0.000 0.281 211 T C -0.124 174.315 174.700 -0.435 0.000 1.005 211 T CA -0.765 61.156 62.100 -0.298 0.000 0.982 211 T CB 1.076 69.807 68.868 -0.228 0.000 1.158 211 T HN 0.470 nan 8.240 nan 0.000 0.566 212 L N 0.188 121.352 121.223 -0.100 0.000 3.366 212 L HA 0.449 4.789 4.340 0.000 0.000 0.304 212 L C -0.350 176.509 176.870 -0.019 0.000 1.292 212 L CA 0.112 54.911 54.840 -0.067 0.000 1.012 212 L CB -0.368 41.693 42.059 0.003 0.000 1.414 212 L HN 0.470 nan 8.230 nan 0.000 0.603 213 I N -0.476 120.065 120.570 -0.047 0.000 2.428 213 I HA 0.190 4.360 4.170 0.000 0.000 0.289 213 I C 0.738 176.838 176.117 -0.029 0.000 1.019 213 I CA -0.079 61.209 61.300 -0.020 0.000 1.351 213 I CB 1.468 39.442 38.000 -0.044 0.000 1.412 213 I HN 0.047 nan 8.210 nan 0.000 0.513 214 S N 6.166 121.865 115.700 -0.003 0.000 2.415 214 S HA 0.341 4.812 4.470 0.000 0.000 0.313 214 S C 1.309 175.928 174.600 0.030 0.000 1.067 214 S CA -0.589 57.616 58.200 0.008 0.000 1.099 214 S CB 0.057 63.264 63.200 0.012 0.000 0.991 214 S HN 0.546 nan 8.310 nan 0.000 0.491 215 I N 4.329 124.924 120.570 0.041 0.000 2.093 215 I HA -0.319 3.851 4.170 0.000 0.000 0.239 215 I C 2.627 178.849 176.117 0.175 0.000 1.026 215 I CA 1.684 63.051 61.300 0.111 0.000 1.295 215 I CB -0.256 37.812 38.000 0.113 0.000 1.007 215 I HN 0.653 nan 8.210 nan 0.000 0.401 216 K N 0.709 121.156 120.400 0.077 0.000 2.228 216 K HA -0.242 4.078 4.320 0.000 0.000 0.205 216 K C 1.966 178.625 176.600 0.098 0.000 1.045 216 K CA 1.538 57.850 56.287 0.041 0.000 0.931 216 K CB -0.067 32.407 32.500 -0.044 0.000 0.727 216 K HN 0.427 nan 8.250 nan 0.000 0.458 217 A N 0.187 123.050 122.820 0.072 0.000 1.930 217 A HA -0.044 4.276 4.320 0.000 0.000 0.215 217 A C 2.148 179.766 177.584 0.057 0.000 1.176 217 A CA 1.121 53.186 52.037 0.047 0.000 0.632 217 A CB -0.325 18.688 19.000 0.021 0.000 0.819 217 A HN 0.138 nan 8.150 nan 0.000 0.445 218 V N -0.999 118.960 119.914 0.075 0.000 2.261 218 V HA -0.250 3.870 4.120 0.000 0.000 0.246 218 V C 2.237 178.358 176.094 0.045 0.000 1.047 218 V CA 2.111 64.431 62.300 0.034 0.000 1.015 218 V CB -1.085 30.750 31.823 0.021 0.000 0.642 218 V HN 0.517 nan 8.190 nan 0.000 0.446 219 F N 0.216 120.149 119.950 -0.029 0.000 2.032 219 F HA -0.278 4.249 4.527 0.000 0.000 0.297 219 F C 2.295 178.076 175.800 -0.032 0.000 1.125 219 F CA 2.348 60.333 58.000 -0.025 0.000 1.202 219 F CB -0.630 38.358 39.000 -0.020 0.000 0.958 219 F HN 0.028 nan 8.300 nan 0.000 0.491 220 I N -0.452 120.233 120.570 0.192 0.000 2.236 220 I HA -0.336 3.834 4.170 0.000 0.000 0.249 220 I C 2.623 178.743 176.117 0.005 0.000 1.102 220 I CA 1.450 62.794 61.300 0.073 0.000 1.365 220 I CB -1.393 36.626 38.000 0.031 0.000 1.051 220 I HN 0.296 nan 8.210 nan 0.000 0.420 221 G N 0.763 109.556 108.800 -0.012 0.000 2.464 221 G HA2 -0.183 3.777 3.960 0.000 0.000 0.214 221 G HA3 -0.183 3.777 3.960 0.000 0.000 0.214 221 G C 1.690 176.554 174.900 -0.059 0.000 1.218 221 G CA 0.890 45.960 45.100 -0.050 0.000 0.794 221 G HN 0.219 nan 8.290 nan 0.000 0.542 222 V N 1.530 121.396 119.914 -0.080 0.000 2.313 222 V HA -0.278 3.842 4.120 0.000 0.000 0.253 222 V C 2.827 178.877 176.094 -0.073 0.000 1.070 222 V CA 1.970 64.206 62.300 -0.107 0.000 1.057 222 V CB -0.492 31.217 31.823 -0.191 0.000 0.653 222 V HN 0.422 nan 8.190 nan 0.000 0.450 223 I N -1.145 119.398 120.570 -0.044 0.000 2.113 223 I HA -0.274 3.896 4.170 0.000 0.000 0.238 223 I C 2.608 178.723 176.117 -0.003 0.000 1.070 223 I CA 1.538 62.833 61.300 -0.009 0.000 1.332 223 I CB -0.511 37.505 38.000 0.027 0.000 1.044 223 I HN 0.257 nan 8.210 nan 0.000 0.402 224 M N 0.273 119.865 119.600 -0.014 0.000 2.144 224 M HA -0.218 4.262 4.480 0.000 0.000 0.260 224 M C 2.561 178.859 176.300 -0.003 0.000 1.067 224 M CA 1.686 56.976 55.300 -0.017 0.000 1.095 224 M CB -1.553 31.017 32.600 -0.049 0.000 1.365 224 M HN 0.280 nan 8.290 nan 0.000 0.406 225 S N -0.359 115.330 115.700 -0.018 0.000 2.345 225 S HA -0.114 4.357 4.470 0.000 0.000 0.220 225 S C 1.946 176.567 174.600 0.035 0.000 1.031 225 S CA 1.933 60.126 58.200 -0.013 0.000 0.996 225 S CB -0.176 62.993 63.200 -0.052 0.000 0.882 225 S HN 0.502 nan 8.310 nan 0.000 0.445 226 T N 2.611 117.180 114.554 0.024 0.000 2.788 226 T HA 0.025 4.375 4.350 0.000 0.000 0.268 226 T C 1.691 176.469 174.700 0.130 0.000 1.044 226 T CA 1.500 63.641 62.100 0.068 0.000 1.139 226 T CB -0.376 68.505 68.868 0.022 0.000 0.867 226 T HN 0.419 nan 8.240 nan 0.000 0.454 227 I N 0.629 121.251 120.570 0.087 0.000 2.286 227 I HA -0.167 4.003 4.170 0.000 0.000 0.248 227 I C 2.467 178.662 176.117 0.130 0.000 1.115 227 I CA 0.899 62.253 61.300 0.090 0.000 1.392 227 I CB -0.379 37.653 38.000 0.053 0.000 1.065 227 I HN 0.217 nan 8.210 nan 0.000 0.418 228 M N -0.133 119.550 119.600 0.139 0.000 2.086 228 M HA -0.250 4.230 4.480 0.000 0.000 0.261 228 M C 2.498 178.967 176.300 0.281 0.000 1.067 228 M CA 1.918 57.341 55.300 0.205 0.000 1.116 228 M CB -1.455 31.219 32.600 0.124 0.000 1.348 228 M HN 0.236 nan 8.290 nan 0.000 0.407 229 Y N 1.394 121.755 120.300 0.102 0.000 2.165 229 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 229 Y C 2.439 178.429 175.900 0.151 0.000 1.155 229 Y CA 1.831 59.994 58.100 0.106 0.000 1.164 229 Y CB -0.144 38.347 38.460 0.052 0.000 0.978 229 Y HN 0.104 nan 8.280 nan 0.000 0.513 230 R N -0.024 120.567 120.500 0.151 0.000 2.092 230 R HA -0.126 4.215 4.340 0.000 0.000 0.231 230 R C 2.164 178.477 176.300 0.021 0.000 1.119 230 R CA 1.230 57.362 56.100 0.053 0.000 0.970 230 R CB -0.771 29.593 30.300 0.106 0.000 0.864 230 R HN 0.409 nan 8.270 nan 0.000 0.440 231 I N 0.240 120.849 120.570 0.065 0.000 2.194 231 I HA -0.269 3.902 4.170 0.000 0.000 0.246 231 I C 1.951 177.923 176.117 -0.241 0.000 1.093 231 I CA 1.643 62.902 61.300 -0.068 0.000 1.355 231 I CB -0.814 37.163 38.000 -0.040 0.000 1.046 231 I HN -0.013 nan 8.210 nan 0.000 0.413 232 F N 0.502 120.390 119.950 -0.105 0.000 2.298 232 F HA 0.123 4.650 4.527 0.000 0.000 0.282 232 F C 1.353 177.064 175.800 -0.149 0.000 1.045 232 F CA 0.187 58.120 58.000 -0.112 0.000 1.280 232 F CB -0.719 38.222 39.000 -0.098 0.000 1.114 232 F HN -0.015 nan 8.300 nan 0.000 0.546 233 N N 1.248 119.873 118.700 -0.125 0.000 3.050 233 N HA -0.033 4.707 4.740 0.000 0.000 0.289 233 N C -0.608 174.801 175.510 -0.169 0.000 1.209 233 N CA 0.067 52.970 53.050 -0.246 0.000 1.154 233 N CB -0.793 37.330 38.487 -0.606 0.000 1.444 233 N HN 0.265 nan 8.380 nan 0.000 0.529 234 H N 1.525 120.516 119.070 -0.133 0.000 2.897 234 H HA -0.023 4.534 4.556 0.000 0.000 0.347 234 H C 0.282 175.575 175.328 -0.059 0.000 1.068 234 H CA 0.463 56.457 56.048 -0.090 0.000 1.426 234 H CB 0.565 30.281 29.762 -0.077 0.000 1.410 234 H HN 0.334 nan 8.280 nan 0.000 0.597 235 E N 1.723 121.580 120.200 -0.571 0.000 2.246 235 E HA -0.137 4.213 4.350 0.000 0.000 0.173 235 E C -1.729 174.766 176.600 -0.174 0.000 1.532 235 E CA 0.944 57.094 56.400 -0.417 0.000 0.672 235 E CB -1.411 27.986 29.700 -0.506 0.000 1.078 235 E HN 0.377 nan 8.360 nan 0.000 0.338 236 V N 0.153 120.010 119.914 -0.096 0.000 3.049 236 V HA 0.944 5.064 4.120 0.000 0.000 0.309 236 V C -0.271 175.836 176.094 0.021 0.000 1.148 236 V CA -0.516 61.768 62.300 -0.027 0.000 0.990 236 V CB 2.265 34.086 31.823 -0.002 0.000 1.039 236 V HN 0.576 nan 8.190 nan 0.000 0.430 237 A N 2.342 125.163 122.820 0.000 0.000 2.408 237 A HA 0.757 5.077 4.320 0.000 0.000 0.295 237 A C 0.174 177.714 177.584 -0.075 0.000 1.040 237 A CA -0.508 51.514 52.037 -0.025 0.000 0.707 237 A CB 1.346 20.315 19.000 -0.052 0.000 1.235 237 A HN 0.788 nan 8.150 nan 0.000 0.418 238 L N 1.855 122.994 121.223 -0.140 0.000 2.056 238 L HA 0.029 4.369 4.340 0.000 0.000 0.207 238 L C 0.241 176.873 176.870 -0.397 0.000 1.078 238 L CA 1.398 56.049 54.840 -0.314 0.000 0.749 238 L CB -0.399 41.348 42.059 -0.520 0.000 0.901 238 L HN 0.595 nan 8.230 nan 0.000 0.433 239 I N -0.632 119.734 120.570 -0.339 0.000 2.509 239 I HA 0.287 4.457 4.170 0.000 0.000 0.293 239 I C -0.977 175.047 176.117 -0.155 0.000 1.020 239 I CA -0.489 60.656 61.300 -0.258 0.000 1.088 239 I CB 2.284 40.120 38.000 -0.273 0.000 1.267 239 I HN -0.103 nan 8.210 nan 0.000 0.430 240 D N 6.262 126.597 120.400 -0.108 0.000 2.476 240 D HA 0.419 5.059 4.640 0.000 0.000 0.251 240 D C -1.407 174.854 176.300 -0.065 0.000 1.291 240 D CA -0.134 53.818 54.000 -0.080 0.000 0.939 240 D CB 1.988 42.749 40.800 -0.065 0.000 1.221 240 D HN 0.176 nan 8.370 nan 0.000 0.567 241 V N 2.193 122.069 119.914 -0.063 0.000 2.715 241 V HA 0.701 4.821 4.120 0.000 0.000 0.310 241 V C 1.521 177.587 176.094 -0.047 0.000 1.054 241 V CA -0.636 61.632 62.300 -0.052 0.000 0.928 241 V CB 1.617 33.408 31.823 -0.053 0.000 1.007 241 V HN 0.512 nan 8.190 nan 0.000 0.437 242 G N 2.817 111.593 108.800 -0.039 0.000 2.679 242 G HA2 0.210 4.170 3.960 0.000 0.000 0.158 242 G HA3 0.210 4.170 3.960 0.000 0.000 0.158 242 G C -0.032 174.847 174.900 -0.035 0.000 1.702 242 G CA 0.170 45.249 45.100 -0.035 0.000 1.041 242 G HN 0.818 nan 8.290 nan 0.000 0.507 243 K N -0.698 119.684 120.400 -0.030 0.000 2.221 243 K HA 0.697 5.017 4.320 0.000 0.000 0.258 243 K C -1.016 175.566 176.600 -0.029 0.000 0.944 243 K CA -0.719 55.550 56.287 -0.031 0.000 0.823 243 K CB 1.822 34.306 32.500 -0.025 0.000 1.113 243 K HN 0.180 nan 8.250 nan 0.000 0.431 244 L N 0.628 121.830 121.223 -0.035 0.000 2.347 244 L HA 0.502 4.842 4.340 0.000 0.000 0.268 244 L C 0.327 177.181 176.870 -0.027 0.000 1.019 244 L CA -0.661 54.163 54.840 -0.026 0.000 0.806 244 L CB 1.144 43.186 42.059 -0.028 0.000 1.339 244 L HN 0.790 nan 8.230 nan 0.000 0.463 245 S N -0.469 115.224 115.700 -0.012 0.000 2.592 245 S HA 0.050 4.520 4.470 0.000 0.000 0.256 245 S C -0.384 174.194 174.600 -0.038 0.000 1.369 245 S CA -0.455 57.739 58.200 -0.010 0.000 0.984 245 S CB 0.036 63.248 63.200 0.021 0.000 0.919 245 S HN 0.486 nan 8.310 nan 0.000 0.576 246 D N 0.179 120.556 120.400 -0.038 0.000 2.432 246 D HA 0.518 5.159 4.640 0.000 0.000 0.258 246 D C -0.458 175.791 176.300 -0.085 0.000 1.146 246 D CA -0.328 53.631 54.000 -0.068 0.000 1.015 246 D CB 1.019 41.788 40.800 -0.051 0.000 1.107 246 D HN 0.520 nan 8.370 nan 0.000 0.529 247 A N 1.638 124.376 122.820 -0.137 0.000 2.536 247 A HA 0.416 4.736 4.320 0.000 0.000 0.329 247 A C -2.289 175.212 177.584 -0.139 0.000 1.321 247 A CA -1.154 50.784 52.037 -0.166 0.000 0.804 247 A CB 0.390 19.187 19.000 -0.339 0.000 1.126 247 A HN 0.265 nan 8.150 nan 0.000 0.480 248 P HA 0.036 nan 4.420 nan 0.000 0.270 248 P C 0.882 178.129 177.300 -0.089 0.000 1.223 248 P CA -0.433 62.621 63.100 -0.077 0.000 0.785 248 P CB 0.805 32.472 31.700 -0.054 0.000 0.923 249 L N 2.075 123.264 121.223 -0.056 0.000 2.013 249 L HA -0.221 4.119 4.340 0.000 0.000 0.212 249 L C 1.925 178.790 176.870 -0.008 0.000 1.073 249 L CA 2.707 57.530 54.840 -0.029 0.000 0.753 249 L CB -2.136 39.919 42.059 -0.005 0.000 0.890 249 L HN 0.587 nan 8.230 nan 0.000 0.432 250 N N -1.721 116.959 118.700 -0.033 0.000 2.680 250 N HA -0.121 4.619 4.740 0.000 0.000 0.197 250 N C 0.967 176.325 175.510 -0.253 0.000 1.288 250 N CA 1.018 54.050 53.050 -0.030 0.000 0.924 250 N CB -0.205 38.274 38.487 -0.014 0.000 1.025 250 N HN 0.177 nan 8.380 nan 0.000 0.447 251 T N -0.773 113.636 114.554 -0.241 0.000 2.964 251 T HA 0.244 4.594 4.350 0.000 0.000 0.250 251 T C 1.484 176.066 174.700 -0.197 0.000 0.982 251 T CA -0.377 61.485 62.100 -0.396 0.000 0.959 251 T CB 0.117 68.829 68.868 -0.260 0.000 1.141 251 T HN 0.070 nan 8.240 nan 0.000 0.494 252 L N 1.868 123.092 121.223 0.002 0.000 2.030 252 L HA -0.228 4.112 4.340 0.000 0.000 0.222 252 L C 2.884 179.846 176.870 0.153 0.000 1.082 252 L CA 2.266 57.169 54.840 0.105 0.000 0.785 252 L CB -0.832 41.256 42.059 0.049 0.000 0.895 252 L HN 0.578 nan 8.230 nan 0.000 0.439 253 W N 0.381 121.719 121.300 0.063 0.000 2.305 253 W HA -0.263 4.398 4.660 0.000 0.000 0.308 253 W C 1.979 178.545 176.519 0.079 0.000 1.226 253 W CA 0.984 58.367 57.345 0.063 0.000 1.253 253 W CB -1.521 27.967 29.460 0.047 0.000 1.146 253 W HN 0.181 nan 8.180 nan 0.000 0.507 254 L N 0.089 120.839 121.223 -0.789 0.000 2.089 254 L HA -0.299 4.041 4.340 0.000 0.000 0.213 254 L C 2.686 179.397 176.870 -0.265 0.000 1.079 254 L CA 2.030 56.460 54.840 -0.684 0.000 0.758 254 L CB -0.970 40.617 42.059 -0.787 0.000 0.891 254 L HN -0.069 nan 8.230 nan 0.000 0.433 255 Y N -1.532 118.694 120.300 -0.123 0.000 2.509 255 Y HA -0.174 4.376 4.550 0.000 0.000 0.293 255 Y C 2.050 177.861 175.900 -0.149 0.000 1.133 255 Y CA 0.408 58.403 58.100 -0.175 0.000 1.283 255 Y CB -0.161 38.143 38.460 -0.260 0.000 1.001 255 Y HN 0.101 nan 8.280 nan 0.000 0.555 256 L N -0.242 121.020 121.223 0.064 0.000 2.023 256 L HA -0.143 4.197 4.340 0.000 0.000 0.205 256 L C 2.091 178.983 176.870 0.037 0.000 1.073 256 L CA 1.409 56.291 54.840 0.070 0.000 0.745 256 L CB -0.774 41.371 42.059 0.143 0.000 0.900 256 L HN 0.055 nan 8.230 nan 0.000 0.435 257 I N -0.243 120.376 120.570 0.082 0.000 2.113 257 I HA -0.352 3.818 4.170 0.000 0.000 0.242 257 I C 2.604 178.664 176.117 -0.094 0.000 1.057 257 I CA 1.854 63.214 61.300 0.099 0.000 1.314 257 I CB -1.536 36.621 38.000 0.263 0.000 1.022 257 I HN 0.373 nan 8.210 nan 0.000 0.408 258 L N 1.407 122.345 121.223 -0.476 0.000 2.042 258 L HA -0.105 4.235 4.340 0.000 0.000 0.210 258 L C 2.449 179.246 176.870 -0.122 0.000 1.076 258 L CA 2.302 56.748 54.840 -0.657 0.000 0.749 258 L CB -1.161 40.296 42.059 -1.004 0.000 0.893 258 L HN 0.241 nan 8.230 nan 0.000 0.432 259 G N -0.330 108.419 108.800 -0.085 0.000 2.418 259 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 259 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 259 G C 1.630 176.568 174.900 0.063 0.000 1.158 259 G CA 1.165 46.263 45.100 -0.004 0.000 0.771 259 G HN 0.483 nan 8.290 nan 0.000 0.545 260 I N 0.632 121.230 120.570 0.046 0.000 2.127 260 I HA -0.181 3.989 4.170 0.000 0.000 0.241 260 I C 2.703 178.867 176.117 0.077 0.000 1.075 260 I CA 0.973 62.313 61.300 0.067 0.000 1.334 260 I CB -0.234 37.818 38.000 0.085 0.000 1.040 260 I HN 0.159 nan 8.210 nan 0.000 0.405 261 I N -0.077 120.530 120.570 0.062 0.000 2.163 261 I HA -0.325 3.846 4.170 0.000 0.000 0.243 261 I C 2.392 178.513 176.117 0.006 0.000 1.085 261 I CA 1.709 63.026 61.300 0.028 0.000 1.347 261 I CB -0.458 37.529 38.000 -0.021 0.000 1.044 261 I HN 0.090 nan 8.210 nan 0.000 0.408 262 F N 1.173 121.102 119.950 -0.035 0.000 2.269 262 F HA -0.103 4.425 4.527 0.000 0.000 0.301 262 F C 2.433 178.259 175.800 0.042 0.000 1.082 262 F CA 1.442 59.441 58.000 -0.002 0.000 1.360 262 F CB -0.804 38.155 39.000 -0.068 0.000 1.041 262 F HN 0.013 nan 8.300 nan 0.000 0.512 263 G N 0.832 109.732 108.800 0.167 0.000 2.434 263 G HA2 -0.235 3.725 3.960 0.000 0.000 0.214 263 G HA3 -0.235 3.725 3.960 0.000 0.000 0.214 263 G C 1.728 176.663 174.900 0.057 0.000 1.202 263 G CA 1.023 46.170 45.100 0.079 0.000 0.788 263 G HN 0.499 nan 8.290 nan 0.000 0.539 264 I N -2.462 118.147 120.570 0.066 0.000 2.286 264 I HA 0.013 4.183 4.170 0.000 0.000 0.248 264 I C 2.491 178.625 176.117 0.028 0.000 1.115 264 I CA 1.443 62.772 61.300 0.049 0.000 1.392 264 I CB -0.352 37.688 38.000 0.067 0.000 1.065 264 I HN 0.100 nan 8.210 nan 0.000 0.418 265 F N 2.598 122.501 119.950 -0.078 0.000 2.206 265 F HA 0.164 4.692 4.527 0.001 0.000 0.298 265 F C 2.378 178.116 175.800 -0.102 0.000 1.090 265 F CA 1.280 59.208 58.000 -0.119 0.000 1.323 265 F CB -0.674 38.224 39.000 -0.172 0.000 1.028 265 F HN 0.099 nan 8.300 nan 0.000 0.492 266 G N 1.921 110.748 108.800 0.044 0.000 2.649 266 G HA2 -0.324 3.636 3.960 0.000 0.000 0.220 266 G HA3 -0.324 3.636 3.960 0.000 0.000 0.220 266 G C -0.517 174.305 174.900 -0.129 0.000 1.189 266 G CA 1.253 46.362 45.100 0.015 0.000 0.777 266 G HN 0.359 nan 8.290 nan 0.000 0.602 267 P HA -0.093 nan 4.420 nan 0.000 0.214 267 P C 2.134 179.247 177.300 -0.312 0.000 1.163 267 P CA 1.267 64.271 63.100 -0.159 0.000 0.883 267 P CB -0.184 31.451 31.700 -0.108 0.000 0.788 268 I N -1.132 119.155 120.570 -0.472 0.000 2.113 268 I HA -0.301 3.869 4.170 0.000 0.000 0.242 268 I C 2.630 178.050 176.117 -1.163 0.000 1.057 268 I CA 1.793 62.637 61.300 -0.761 0.000 1.314 268 I CB -0.894 36.587 38.000 -0.864 0.000 1.022 268 I HN -0.147 nan 8.210 nan 0.000 0.408 269 F N 2.040 121.189 119.950 -1.336 0.000 2.091 269 F HA -0.286 4.242 4.527 0.000 0.000 0.299 269 F C 2.223 177.753 175.800 -0.451 0.000 1.103 269 F CA 2.147 59.546 58.000 -1.002 0.000 1.228 269 F CB -0.721 37.890 39.000 -0.648 0.000 0.984 269 F HN 0.116 nan 8.300 nan 0.000 0.477 270 N N 0.223 118.765 118.700 -0.263 0.000 2.036 270 N HA -0.262 4.478 4.740 0.000 0.000 0.195 270 N C 1.770 177.166 175.510 -0.191 0.000 1.037 270 N CA 1.753 54.706 53.050 -0.161 0.000 0.855 270 N CB -0.265 38.190 38.487 -0.054 0.000 1.033 270 N HN 0.346 nan 8.380 nan 0.000 0.423 271 K N 0.161 120.429 120.400 -0.220 0.000 2.059 271 K HA -0.193 4.128 4.320 0.000 0.000 0.212 271 K C 1.869 178.497 176.600 0.046 0.000 1.050 271 K CA 1.469 57.705 56.287 -0.086 0.000 0.927 271 K CB -0.169 32.283 32.500 -0.081 0.000 0.714 271 K HN 0.333 nan 8.250 nan 0.000 0.447 272 W N 0.315 121.471 121.300 -0.239 0.000 2.381 272 W HA -0.128 4.532 4.660 0.000 0.000 0.321 272 W C 2.261 178.621 176.519 -0.266 0.000 1.196 272 W CA 0.150 57.343 57.345 -0.253 0.000 1.304 272 W CB -1.468 27.805 29.460 -0.312 0.000 1.166 272 W HN -0.064 nan 8.180 nan 0.000 0.473 273 V N 1.078 120.872 119.914 -0.200 0.000 2.324 273 V HA -0.287 3.834 4.120 0.000 0.000 0.250 273 V C 2.128 178.244 176.094 0.037 0.000 1.060 273 V CA 2.299 64.531 62.300 -0.114 0.000 1.042 273 V CB -0.794 30.911 31.823 -0.196 0.000 0.650 273 V HN 0.098 nan 8.190 nan 0.000 0.450 274 L N 1.227 122.458 121.223 0.014 0.000 2.068 274 L HA 0.258 4.598 4.340 0.000 0.000 0.204 274 L C 2.323 179.210 176.870 0.027 0.000 1.076 274 L CA 2.389 57.254 54.840 0.042 0.000 0.753 274 L CB -1.338 40.741 42.059 0.034 0.000 0.910 274 L HN 0.354 nan 8.230 nan 0.000 0.439 275 G N -1.390 107.430 108.800 0.033 0.000 2.920 275 G HA2 -0.118 3.842 3.960 0.000 0.000 0.208 275 G HA3 -0.118 3.842 3.960 0.000 0.000 0.208 275 G C 1.359 176.267 174.900 0.013 0.000 1.159 275 G CA 0.457 45.576 45.100 0.031 0.000 0.784 275 G HN 0.392 nan 8.290 nan 0.000 0.535 276 M N 0.571 120.175 119.600 0.007 0.000 2.333 276 M HA 0.181 4.661 4.480 0.000 0.000 0.257 276 M C 2.033 178.314 176.300 -0.032 0.000 1.078 276 M CA 0.088 55.375 55.300 -0.022 0.000 1.005 276 M CB 0.412 32.993 32.600 -0.032 0.000 1.444 276 M HN 0.318 nan 8.290 nan 0.000 0.496 277 Q N -1.388 118.396 119.800 -0.026 0.000 2.365 277 Q HA 0.029 4.370 4.340 0.000 0.000 0.203 277 Q C 0.076 176.049 176.000 -0.044 0.000 0.929 277 Q CA 0.295 56.069 55.803 -0.048 0.000 0.948 277 Q CB 0.235 28.935 28.738 -0.064 0.000 1.043 277 Q HN 0.404 nan 8.270 nan 0.000 0.505 278 D N 1.369 121.754 120.400 -0.025 0.000 2.652 278 D HA 0.074 4.714 4.640 0.000 0.000 0.261 278 D C 1.487 177.787 176.300 0.000 0.000 1.024 278 D CA 0.425 54.428 54.000 0.004 0.000 0.958 278 D CB 0.163 40.967 40.800 0.007 0.000 1.113 278 D HN 0.222 nan 8.370 nan 0.000 0.471 279 L N 1.357 122.560 121.223 -0.033 0.000 2.821 279 L HA -0.004 4.337 4.340 0.000 0.000 0.254 279 L C 1.227 178.032 176.870 -0.108 0.000 1.151 279 L CA 0.129 54.933 54.840 -0.060 0.000 0.937 279 L CB 0.086 42.106 42.059 -0.065 0.000 1.141 279 L HN 0.034 nan 8.230 nan 0.000 0.425 280 L N -1.949 119.195 121.223 -0.132 0.000 3.128 280 L HA 0.076 4.416 4.340 0.000 0.000 0.277 280 L C 1.748 178.347 176.870 -0.452 0.000 1.171 280 L CA 0.603 55.278 54.840 -0.275 0.000 1.008 280 L CB -0.202 41.717 42.059 -0.233 0.000 1.442 280 L HN 0.232 nan 8.230 nan 0.000 0.584 281 H N 0.802 119.709 119.070 -0.273 0.000 2.544 281 H HA 0.174 4.730 4.556 0.000 0.000 0.269 281 H C 1.067 176.369 175.328 -0.043 0.000 0.970 281 H CA 0.738 56.753 56.048 -0.055 0.000 1.219 281 H CB 0.381 30.177 29.762 0.056 0.000 1.421 281 H HN 0.023 nan 8.280 nan 0.000 0.555 282 R N 0.176 120.624 120.500 -0.087 0.000 4.031 282 R HA 0.186 4.526 4.340 0.000 0.000 0.269 282 R C -0.219 175.992 176.300 -0.147 0.000 1.668 282 R CA 0.128 56.173 56.100 -0.091 0.000 1.432 282 R CB 0.541 30.811 30.300 -0.049 0.000 1.374 282 R HN 0.141 nan 8.270 nan 0.000 0.681 283 V N -1.546 118.228 119.914 -0.234 0.000 3.523 283 V HA -0.007 4.113 4.120 0.000 0.000 0.273 283 V C 0.819 176.817 176.094 -0.160 0.000 1.675 283 V CA 0.052 62.216 62.300 -0.228 0.000 1.079 283 V CB 0.113 31.754 31.823 -0.303 0.000 0.901 283 V HN 0.645 nan 8.190 nan 0.000 0.406 284 H N -1.946 117.024 119.070 -0.168 0.000 3.787 284 H HA 0.340 4.896 4.556 0.000 0.000 0.262 284 H C 1.747 177.022 175.328 -0.088 0.000 1.181 284 H CA 0.411 56.402 56.048 -0.095 0.000 1.159 284 H CB 0.817 30.528 29.762 -0.085 0.000 1.563 284 H HN 0.263 nan 8.280 nan 0.000 0.699 285 G N 1.414 110.273 108.800 0.098 0.000 2.271 285 G HA2 -0.294 3.667 3.960 0.000 0.000 0.283 285 G HA3 -0.294 3.667 3.960 0.000 0.000 0.283 285 G C 1.302 176.092 174.900 -0.184 0.000 1.002 285 G CA 1.473 46.483 45.100 -0.148 0.000 0.701 285 G HN 1.468 nan 8.290 nan 0.000 0.528 286 G N -1.296 107.439 108.800 -0.109 0.000 2.229 286 G HA2 -0.239 3.721 3.960 0.000 0.000 0.189 286 G HA3 -0.239 3.721 3.960 0.000 0.000 0.189 286 G C 0.137 175.097 174.900 0.099 0.000 1.000 286 G CA 0.621 45.766 45.100 0.076 0.000 0.663 286 G HN 1.178 nan 8.290 nan 0.000 0.493 287 N N 1.327 120.085 118.700 0.098 0.000 2.417 287 N HA 0.108 4.849 4.740 0.000 0.000 0.272 287 N C 1.576 177.165 175.510 0.132 0.000 1.304 287 N CA 0.013 53.122 53.050 0.098 0.000 0.906 287 N CB 0.228 38.774 38.487 0.098 0.000 1.135 287 N HN 0.162 nan 8.380 nan 0.000 0.483 288 I N 3.312 123.917 120.570 0.059 0.000 3.055 288 I HA -0.189 3.981 4.170 0.000 0.000 0.277 288 I C 1.783 177.927 176.117 0.046 0.000 1.306 288 I CA 1.100 62.417 61.300 0.028 0.000 1.426 288 I CB -0.342 37.666 38.000 0.013 0.000 1.081 288 I HN 0.539 nan 8.210 nan 0.000 0.502 289 T N -1.683 112.911 114.554 0.067 0.000 3.174 289 T HA 0.068 4.418 4.350 0.000 0.000 0.252 289 T C 1.753 176.514 174.700 0.101 0.000 0.984 289 T CA -0.137 61.984 62.100 0.036 0.000 1.113 289 T CB 0.206 69.063 68.868 -0.019 0.000 1.088 289 T HN 0.106 nan 8.240 nan 0.000 0.442 290 K N 0.692 121.165 120.400 0.121 0.000 2.160 290 K HA -0.151 4.169 4.320 0.000 0.000 0.206 290 K C 1.965 178.696 176.600 0.219 0.000 1.047 290 K CA 1.268 57.632 56.287 0.129 0.000 0.930 290 K CB -0.061 32.512 32.500 0.122 0.000 0.720 290 K HN 0.373 nan 8.250 nan 0.000 0.450 291 W N 1.402 122.766 121.300 0.108 0.000 2.381 291 W HA -0.158 4.502 4.660 0.000 0.000 0.321 291 W C 1.736 178.271 176.519 0.027 0.000 1.196 291 W CA 0.969 58.436 57.345 0.203 0.000 1.304 291 W CB -0.709 28.803 29.460 0.087 0.000 1.166 291 W HN -0.235 nan 8.180 nan 0.000 0.473 292 V N 1.806 121.935 119.914 0.358 0.000 2.546 292 V HA -0.317 3.803 4.120 0.000 0.000 0.254 292 V C 2.351 178.441 176.094 -0.005 0.000 1.076 292 V CA 1.768 64.158 62.300 0.150 0.000 1.087 292 V CB -0.980 30.881 31.823 0.062 0.000 0.674 292 V HN 0.167 nan 8.190 nan 0.000 0.470 293 L N -1.518 119.714 121.223 0.014 0.000 2.127 293 L HA -0.062 4.278 4.340 0.000 0.000 0.203 293 L C 2.406 179.235 176.870 -0.070 0.000 1.080 293 L CA 1.381 56.210 54.840 -0.019 0.000 0.768 293 L CB -0.446 41.618 42.059 0.008 0.000 0.924 293 L HN 0.296 nan 8.230 nan 0.000 0.444 294 M N 0.086 119.638 119.600 -0.080 0.000 2.149 294 M HA -0.141 4.340 4.480 0.000 0.000 0.261 294 M C 2.058 178.201 176.300 -0.262 0.000 1.064 294 M CA 2.109 57.324 55.300 -0.143 0.000 1.102 294 M CB -0.373 32.120 32.600 -0.179 0.000 1.369 294 M HN 0.279 nan 8.290 nan 0.000 0.408 295 G N -0.652 107.816 108.800 -0.554 0.000 2.453 295 G HA2 -0.173 3.788 3.960 0.000 0.000 0.215 295 G HA3 -0.173 3.788 3.960 0.000 0.000 0.215 295 G C 1.404 176.027 174.900 -0.461 0.000 1.201 295 G CA 0.780 45.154 45.100 -1.210 0.000 0.784 295 G HN 0.596 nan 8.290 nan 0.000 0.545 296 G N 1.026 109.657 108.800 -0.283 0.000 2.532 296 G HA2 -0.005 3.955 3.960 0.000 0.000 0.222 296 G HA3 -0.005 3.955 3.960 0.000 0.000 0.222 296 G C 1.888 176.708 174.900 -0.133 0.000 1.102 296 G CA 1.697 46.737 45.100 -0.100 0.000 0.742 296 G HN 0.708 nan 8.290 nan 0.000 0.577 297 A N 1.499 124.257 122.820 -0.103 0.000 1.832 297 A HA 0.048 4.368 4.320 0.000 0.000 0.214 297 A C 2.432 179.960 177.584 -0.093 0.000 1.204 297 A CA 1.545 53.560 52.037 -0.036 0.000 0.606 297 A CB -0.512 18.492 19.000 0.007 0.000 0.849 297 A HN 0.652 nan 8.150 nan 0.000 0.445 298 I N -1.882 118.652 120.570 -0.059 0.000 2.361 298 I HA -0.049 4.121 4.170 0.000 0.000 0.251 298 I C 2.248 178.347 176.117 -0.030 0.000 1.133 298 I CA 1.553 62.843 61.300 -0.016 0.000 1.413 298 I CB -1.150 36.872 38.000 0.036 0.000 1.073 298 I HN 0.212 nan 8.210 nan 0.000 0.424 299 G N 1.409 110.194 108.800 -0.025 0.000 2.418 299 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 299 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 299 G C 1.643 176.443 174.900 -0.167 0.000 1.158 299 G CA 0.889 45.987 45.100 -0.003 0.000 0.771 299 G HN 0.538 nan 8.290 nan 0.000 0.545 300 G N 0.925 109.474 108.800 -0.418 0.000 2.404 300 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 300 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 300 G C 1.749 176.297 174.900 -0.586 0.000 1.174 300 G CA 0.994 45.559 45.100 -0.892 0.000 0.780 300 G HN 0.431 nan 8.290 nan 0.000 0.537 301 L N 0.950 121.967 121.223 -0.343 0.000 2.103 301 L HA -0.182 4.158 4.340 0.000 0.000 0.215 301 L C 2.641 179.514 176.870 0.005 0.000 1.080 301 L CA 1.694 56.520 54.840 -0.022 0.000 0.764 301 L CB -0.972 41.110 42.059 0.037 0.000 0.890 301 L HN 0.291 nan 8.230 nan 0.000 0.435 302 C N -0.353 118.929 119.300 -0.030 0.000 2.453 302 C HA 0.015 4.475 4.460 0.000 0.000 0.277 302 C C 2.800 177.804 174.990 0.023 0.000 1.262 302 C CA 0.526 59.551 59.018 0.012 0.000 1.718 302 C CB -1.919 25.832 27.740 0.019 0.000 2.031 302 C HN 0.754 nan 8.230 nan 0.000 0.480 303 G N 0.337 109.127 108.800 -0.017 0.000 2.450 303 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 303 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 303 G C 1.519 176.473 174.900 0.090 0.000 1.130 303 G CA 1.044 46.155 45.100 0.018 0.000 0.760 303 G HN 0.466 nan 8.290 nan 0.000 0.557 304 L N 0.289 121.580 121.223 0.113 0.000 2.023 304 L HA 0.184 4.525 4.340 0.000 0.000 0.205 304 L C 2.682 179.667 176.870 0.192 0.000 1.073 304 L CA 1.300 56.258 54.840 0.196 0.000 0.745 304 L CB -0.466 41.742 42.059 0.248 0.000 0.900 304 L HN 0.193 nan 8.230 nan 0.000 0.435 305 L N -0.520 120.787 121.223 0.140 0.000 2.191 305 L HA -0.112 4.229 4.340 0.000 0.000 0.212 305 L C 2.432 179.369 176.870 0.112 0.000 1.103 305 L CA 0.988 55.899 54.840 0.118 0.000 0.769 305 L CB -1.275 40.834 42.059 0.084 0.000 0.908 305 L HN 0.480 nan 8.230 nan 0.000 0.438 306 G N -0.725 108.146 108.800 0.120 0.000 2.470 306 G HA2 -0.301 3.660 3.960 0.000 0.000 0.220 306 G HA3 -0.301 3.660 3.960 0.000 0.000 0.220 306 G C 1.365 176.369 174.900 0.174 0.000 1.121 306 G CA 0.471 45.642 45.100 0.119 0.000 0.766 306 G HN 0.345 nan 8.290 nan 0.000 0.553 307 F N 0.690 120.669 119.950 0.048 0.000 2.553 307 F HA 0.274 4.802 4.527 0.000 0.000 0.282 307 F C 0.808 176.646 175.800 0.064 0.000 1.089 307 F CA -0.151 57.875 58.000 0.044 0.000 1.411 307 F CB 0.705 39.724 39.000 0.032 0.000 1.125 307 F HN 0.001 nan 8.300 nan 0.000 0.610 308 V N -0.048 119.900 119.914 0.057 0.000 2.275 308 V HA 0.810 4.931 4.120 0.000 0.000 0.272 308 V C 0.045 176.168 176.094 0.048 0.000 1.028 308 V CA -0.963 61.337 62.300 -0.000 0.000 0.810 308 V CB -0.224 31.670 31.823 0.118 0.000 1.043 308 V HN 0.701 nan 8.190 nan 0.000 0.453 309 A N 5.110 127.942 122.820 0.020 0.000 2.451 309 A HA -0.018 4.302 4.320 0.000 0.000 0.273 309 A C -1.730 175.887 177.584 0.055 0.000 1.384 309 A CA 0.242 52.328 52.037 0.082 0.000 0.719 309 A CB -1.605 17.509 19.000 0.190 0.000 1.146 309 A HN 0.744 nan 8.150 nan 0.000 0.353 310 P HA 0.104 nan 4.420 nan 0.000 0.229 310 P C 1.674 178.988 177.300 0.023 0.000 1.160 310 P CA 1.224 64.345 63.100 0.035 0.000 0.777 310 P CB 0.191 31.913 31.700 0.037 0.000 0.814 311 A N -0.038 122.790 122.820 0.014 0.000 2.076 311 A HA -0.172 4.149 4.320 0.000 0.000 0.220 311 A C 2.095 179.615 177.584 -0.107 0.000 1.160 311 A CA 2.287 54.307 52.037 -0.028 0.000 0.653 311 A CB -1.732 17.212 19.000 -0.093 0.000 0.801 311 A HN 0.346 nan 8.150 nan 0.000 0.455 312 T N -4.013 110.469 114.554 -0.119 0.000 3.051 312 T HA 0.200 4.550 4.350 0.000 0.000 0.255 312 T C 1.209 175.875 174.700 -0.058 0.000 1.085 312 T CA 0.907 62.919 62.100 -0.146 0.000 1.109 312 T CB -0.125 68.649 68.868 -0.156 0.000 0.921 312 T HN 0.336 nan 8.240 nan 0.000 0.488 313 S N -0.233 115.457 115.700 -0.016 0.000 2.618 313 S HA 0.659 5.129 4.470 0.000 0.000 0.284 313 S C 0.559 175.161 174.600 0.004 0.000 1.102 313 S CA 0.285 58.489 58.200 0.007 0.000 0.984 313 S CB 0.684 63.903 63.200 0.030 0.000 1.280 313 S HN 1.505 nan 8.310 nan 0.000 0.525 314 G N -0.566 108.241 108.800 0.012 0.000 2.755 314 G HA2 -0.004 3.956 3.960 0.000 0.000 0.686 314 G HA3 -0.004 3.956 3.960 0.000 0.000 0.686 314 G C 0.655 175.530 174.900 -0.042 0.000 1.427 314 G CA -0.085 45.014 45.100 -0.001 0.000 0.873 314 G HN 1.555 nan 8.290 nan 0.000 0.580 315 G N 0.116 108.869 108.800 -0.079 0.000 2.740 315 G HA2 0.450 4.410 3.960 0.000 0.000 0.208 315 G HA3 0.450 4.410 3.960 0.000 0.000 0.208 315 G C 1.870 176.569 174.900 -0.334 0.000 1.148 315 G CA 1.703 46.695 45.100 -0.180 0.000 0.795 315 G HN 2.679 nan 8.290 nan 0.000 0.526 316 G N 0.473 109.147 108.800 -0.210 0.000 3.299 316 G HA2 -0.226 3.734 3.960 0.000 0.000 0.251 316 G HA3 -0.226 3.734 3.960 0.000 0.000 0.251 316 G C 0.998 175.845 174.900 -0.087 0.000 1.741 316 G CA 0.537 45.525 45.100 -0.186 0.000 1.151 316 G HN 0.850 nan 8.290 nan 0.000 0.561 317 F N 2.805 122.749 119.950 -0.011 0.000 2.481 317 F HA 0.080 4.607 4.527 0.000 0.000 0.297 317 F C 1.721 177.521 175.800 -0.001 0.000 1.095 317 F CA 1.079 59.065 58.000 -0.022 0.000 1.465 317 F CB -1.284 37.675 39.000 -0.068 0.000 1.098 317 F HN 0.244 nan 8.300 nan 0.000 0.585 318 N N 0.634 119.566 118.700 0.386 0.000 2.661 318 N HA -0.163 4.578 4.740 0.000 0.000 0.196 318 N C 1.133 176.760 175.510 0.195 0.000 1.129 318 N CA 1.315 54.552 53.050 0.313 0.000 0.938 318 N CB -0.008 38.566 38.487 0.146 0.000 0.966 318 N HN 0.466 nan 8.380 nan 0.000 0.450 319 L N -2.175 119.154 121.223 0.177 0.000 3.583 319 L HA 0.079 4.419 4.340 0.000 0.000 0.402 319 L C 1.297 178.232 176.870 0.108 0.000 0.981 319 L CA 0.072 54.979 54.840 0.111 0.000 1.807 319 L CB -0.363 41.751 42.059 0.091 0.000 2.565 319 L HN -0.189 nan 8.230 nan 0.000 0.547 320 I N 1.845 122.498 120.570 0.139 0.000 2.052 320 I HA -0.187 3.983 4.170 0.000 0.000 0.235 320 I C -0.433 175.752 176.117 0.114 0.000 1.046 320 I CA 1.994 63.383 61.300 0.148 0.000 1.308 320 I CB -1.995 36.089 38.000 0.141 0.000 1.031 320 I HN 0.147 nan 8.210 nan 0.000 0.395 321 P HA -0.154 nan 4.420 nan 0.000 0.223 321 P C 1.354 178.662 177.300 0.014 0.000 1.140 321 P CA 1.435 64.566 63.100 0.050 0.000 0.783 321 P CB -0.062 31.657 31.700 0.031 0.000 0.759 322 I N -0.902 119.673 120.570 0.009 0.000 2.900 322 I HA 0.109 4.279 4.170 0.000 0.000 0.251 322 I C 2.385 178.464 176.117 -0.064 0.000 1.102 322 I CA 0.833 62.116 61.300 -0.028 0.000 1.457 322 I CB -1.816 36.166 38.000 -0.030 0.000 1.285 322 I HN -0.226 nan 8.210 nan 0.000 0.459 323 A N 0.485 123.256 122.820 -0.082 0.000 2.186 323 A HA -0.179 4.141 4.320 0.000 0.000 0.219 323 A C 2.285 179.638 177.584 -0.385 0.000 1.159 323 A CA 2.419 54.321 52.037 -0.224 0.000 0.680 323 A CB -1.197 17.682 19.000 -0.203 0.000 0.787 323 A HN 0.596 nan 8.150 nan 0.000 0.467 324 T N -4.793 109.674 114.554 -0.145 0.000 3.038 324 T HA 0.395 4.745 4.350 0.000 0.000 0.244 324 T C 1.649 176.353 174.700 0.007 0.000 1.016 324 T CA 0.860 62.944 62.100 -0.026 0.000 1.098 324 T CB -0.385 68.616 68.868 0.222 0.000 0.954 324 T HN 0.560 nan 8.240 nan 0.000 0.469 325 A N 0.743 123.563 122.820 0.000 0.000 2.253 325 A HA 0.557 4.877 4.320 0.000 0.000 0.203 325 A C 1.814 179.393 177.584 -0.008 0.000 1.272 325 A CA 0.955 52.998 52.037 0.009 0.000 0.847 325 A CB -1.151 17.846 19.000 -0.005 0.000 0.772 325 A HN 0.744 nan 8.150 nan 0.000 0.494 326 G N -0.217 108.560 108.800 -0.039 0.000 2.570 326 G HA2 0.257 4.218 3.960 0.000 0.000 0.213 326 G HA3 0.257 4.218 3.960 0.000 0.000 0.213 326 G C -0.023 174.840 174.900 -0.061 0.000 1.391 326 G CA 0.404 45.474 45.100 -0.049 0.000 0.533 326 G HN 0.733 nan 8.290 nan 0.000 1.072 327 N N -0.670 117.948 118.700 -0.136 0.000 2.785 327 N HA 0.413 5.154 4.740 0.000 0.000 0.224 327 N C -1.699 173.736 175.510 -0.125 0.000 1.448 327 N CA -0.540 52.443 53.050 -0.113 0.000 0.748 327 N CB -0.024 38.401 38.487 -0.103 0.000 1.385 327 N HN 0.014 nan 8.380 nan 0.000 0.538 328 F N 0.889 120.850 119.950 0.019 0.000 2.522 328 F HA 0.633 5.161 4.527 0.000 0.000 0.324 328 F C 0.899 176.712 175.800 0.022 0.000 1.077 328 F CA -1.279 56.736 58.000 0.025 0.000 0.944 328 F CB 2.010 41.029 39.000 0.031 0.000 1.175 328 F HN 0.308 nan 8.300 nan 0.000 0.468 329 S N 2.787 118.654 115.700 0.278 0.000 2.562 329 S HA 0.091 4.562 4.470 0.000 0.000 0.281 329 S C 1.295 175.951 174.600 0.094 0.000 1.333 329 S CA -0.667 57.613 58.200 0.134 0.000 1.052 329 S CB 0.671 63.929 63.200 0.096 0.000 0.884 329 S HN 0.791 nan 8.310 nan 0.000 0.506 330 M N 4.170 123.802 119.600 0.054 0.000 2.113 330 M HA -0.080 4.401 4.480 0.000 0.000 0.255 330 M C 1.960 178.276 176.300 0.025 0.000 1.073 330 M CA 2.576 57.892 55.300 0.026 0.000 1.091 330 M CB -1.570 31.030 32.600 -0.000 0.000 1.309 330 M HN 0.934 nan 8.290 nan 0.000 0.407 331 G N -0.472 108.344 108.800 0.028 0.000 2.459 331 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 331 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 331 G C 1.470 176.403 174.900 0.055 0.000 1.183 331 G CA 1.339 46.460 45.100 0.035 0.000 0.776 331 G HN 0.544 nan 8.290 nan 0.000 0.552 332 M N 0.596 120.216 119.600 0.033 0.000 2.108 332 M HA -0.034 4.447 4.480 0.000 0.000 0.257 332 M C 2.373 178.620 176.300 -0.088 0.000 1.071 332 M CA 1.271 56.566 55.300 -0.009 0.000 1.093 332 M CB -0.657 31.874 32.600 -0.116 0.000 1.345 332 M HN 0.225 nan 8.290 nan 0.000 0.403 333 L N -1.469 119.706 121.223 -0.081 0.000 1.971 333 L HA -0.281 4.059 4.340 0.000 0.000 0.215 333 L C 2.303 179.179 176.870 0.010 0.000 1.072 333 L CA 1.627 56.428 54.840 -0.065 0.000 0.758 333 L CB -1.099 40.959 42.059 -0.001 0.000 0.889 333 L HN 0.174 nan 8.230 nan 0.000 0.433 334 V N -0.115 119.834 119.914 0.058 0.000 2.278 334 V HA -0.390 3.730 4.120 0.000 0.000 0.251 334 V C 2.150 178.360 176.094 0.195 0.000 1.062 334 V CA 2.416 64.795 62.300 0.132 0.000 1.038 334 V CB -0.720 31.168 31.823 0.108 0.000 0.646 334 V HN 0.412 nan 8.190 nan 0.000 0.447 335 F N 0.571 120.522 119.950 0.001 0.000 2.011 335 F HA -0.270 4.257 4.527 0.000 0.000 0.296 335 F C 2.349 178.144 175.800 -0.009 0.000 1.144 335 F CA 2.268 60.259 58.000 -0.016 0.000 1.185 335 F CB -0.237 38.729 39.000 -0.057 0.000 0.961 335 F HN 0.043 nan 8.300 nan 0.000 0.485 336 I N -0.104 120.192 120.570 -0.457 0.000 2.181 336 I HA -0.378 3.792 4.170 0.000 0.000 0.247 336 I C 2.358 178.347 176.117 -0.213 0.000 1.081 336 I CA 1.748 62.735 61.300 -0.522 0.000 1.340 336 I CB -0.798 36.988 38.000 -0.357 0.000 1.036 336 I HN 0.308 nan 8.210 nan 0.000 0.417 337 F N 1.612 121.444 119.950 -0.198 0.000 2.046 337 F HA -0.219 4.309 4.527 0.000 0.000 0.297 337 F C 2.412 178.170 175.800 -0.071 0.000 1.123 337 F CA 1.889 59.816 58.000 -0.122 0.000 1.199 337 F CB -0.803 38.135 39.000 -0.103 0.000 0.972 337 F HN -0.213 nan 8.300 nan 0.000 0.474 338 V N 0.829 120.651 119.914 -0.154 0.000 2.255 338 V HA -0.312 3.808 4.120 0.000 0.000 0.247 338 V C 2.800 178.801 176.094 -0.156 0.000 1.051 338 V CA 1.954 64.145 62.300 -0.181 0.000 1.018 338 V CB -1.861 29.970 31.823 0.014 0.000 0.641 338 V HN 0.514 nan 8.190 nan 0.000 0.445 339 A N 0.476 123.184 122.820 -0.186 0.000 1.884 339 A HA -0.309 4.011 4.320 0.000 0.000 0.219 339 A C 2.375 179.864 177.584 -0.157 0.000 1.197 339 A CA 2.509 54.418 52.037 -0.213 0.000 0.637 339 A CB -0.586 18.054 19.000 -0.599 0.000 0.827 339 A HN 0.580 nan 8.150 nan 0.000 0.450 340 R N -0.918 119.473 120.500 -0.182 0.000 2.090 340 R HA -0.015 4.326 4.340 0.000 0.000 0.228 340 R C 1.995 178.268 176.300 -0.044 0.000 1.110 340 R CA 1.153 57.194 56.100 -0.097 0.000 0.973 340 R CB -0.702 29.550 30.300 -0.080 0.000 0.869 340 R HN 0.389 nan 8.270 nan 0.000 0.440 341 V N 1.984 121.827 119.914 -0.119 0.000 2.317 341 V HA -0.297 3.824 4.120 0.000 0.000 0.251 341 V C 2.255 178.419 176.094 0.117 0.000 1.065 341 V CA 1.881 64.189 62.300 0.012 0.000 1.049 341 V CB -0.459 31.310 31.823 -0.091 0.000 0.651 341 V HN 0.244 nan 8.190 nan 0.000 0.450 342 I N 0.427 121.010 120.570 0.022 0.000 2.186 342 I HA -0.204 3.967 4.170 0.000 0.000 0.228 342 I C 2.857 179.005 176.117 0.052 0.000 1.062 342 I CA 1.882 63.193 61.300 0.020 0.000 1.347 342 I CB -1.279 36.712 38.000 -0.015 0.000 1.122 342 I HN 0.453 nan 8.210 nan 0.000 0.402 343 T N -1.221 113.354 114.554 0.034 0.000 2.736 343 T HA -0.299 4.051 4.350 0.000 0.000 0.265 343 T C 1.715 176.471 174.700 0.093 0.000 1.031 343 T CA 2.430 64.561 62.100 0.052 0.000 1.155 343 T CB -1.446 67.439 68.868 0.028 0.000 0.849 343 T HN 0.337 nan 8.240 nan 0.000 0.471 344 T N 2.363 116.984 114.554 0.112 0.000 2.643 344 T HA 0.091 4.442 4.350 0.000 0.000 0.264 344 T C 1.976 176.817 174.700 0.234 0.000 1.045 344 T CA 1.522 63.723 62.100 0.169 0.000 1.155 344 T CB -0.547 68.442 68.868 0.202 0.000 0.863 344 T HN 0.345 nan 8.240 nan 0.000 0.420 345 L N 0.294 121.654 121.223 0.228 0.000 1.955 345 L HA -0.119 4.222 4.340 0.000 0.000 0.213 345 L C 2.537 179.516 176.870 0.181 0.000 1.072 345 L CA 1.037 56.000 54.840 0.205 0.000 0.755 345 L CB -0.806 41.315 42.059 0.103 0.000 0.888 345 L HN 0.176 nan 8.230 nan 0.000 0.432 346 L N -0.270 121.022 121.223 0.116 0.000 2.054 346 L HA -0.347 3.993 4.340 0.000 0.000 0.220 346 L C 2.546 179.501 176.870 0.141 0.000 1.081 346 L CA 2.113 57.007 54.840 0.090 0.000 0.780 346 L CB -0.569 41.529 42.059 0.065 0.000 0.893 346 L HN 0.403 nan 8.230 nan 0.000 0.438 347 C N -2.327 117.083 119.300 0.184 0.000 2.486 347 C HA -0.059 4.401 4.460 0.000 0.000 0.279 347 C C 2.458 177.608 174.990 0.268 0.000 1.302 347 C CA 0.219 59.372 59.018 0.225 0.000 1.720 347 C CB -1.077 26.785 27.740 0.202 0.000 2.030 347 C HN 0.634 nan 8.230 nan 0.000 0.490 348 F N 2.364 122.393 119.950 0.130 0.000 2.074 348 F HA -0.076 4.451 4.527 0.000 0.000 0.293 348 F C 2.529 178.408 175.800 0.133 0.000 1.116 348 F CA 1.958 60.038 58.000 0.134 0.000 1.212 348 F CB -0.822 38.268 39.000 0.150 0.000 0.998 348 F HN 0.050 nan 8.300 nan 0.000 0.471 349 S N 0.257 115.982 115.700 0.041 0.000 2.387 349 S HA -0.267 4.203 4.470 0.000 0.000 0.230 349 S C 2.302 176.872 174.600 -0.050 0.000 1.035 349 S CA 1.521 59.670 58.200 -0.084 0.000 1.014 349 S CB -0.944 62.268 63.200 0.020 0.000 0.836 349 S HN 0.671 nan 8.310 nan 0.000 0.466 350 S N 1.130 116.863 115.700 0.056 0.000 2.359 350 S HA -0.006 4.464 4.470 0.000 0.000 0.223 350 S C 1.665 176.431 174.600 0.276 0.000 1.039 350 S CA 1.591 59.880 58.200 0.149 0.000 1.042 350 S CB -0.818 62.597 63.200 0.359 0.000 0.915 350 S HN 1.091 nan 8.310 nan 0.000 0.439 351 G N 0.219 109.132 108.800 0.189 0.000 2.148 351 G HA2 0.266 4.226 3.960 0.000 0.000 0.120 351 G HA3 0.266 4.226 3.960 0.000 0.000 0.120 351 G C -0.001 174.925 174.900 0.043 0.000 1.034 351 G CA -0.058 45.155 45.100 0.188 0.000 0.710 351 G HN 1.151 nan 8.290 nan 0.000 0.495 352 A N 0.903 123.634 122.820 -0.148 0.000 2.322 352 A HA 0.813 5.133 4.320 0.000 0.000 0.269 352 A C -1.629 175.895 177.584 -0.101 0.000 1.094 352 A CA -1.224 50.570 52.037 -0.406 0.000 0.807 352 A CB 0.462 19.081 19.000 -0.635 0.000 1.047 352 A HN 0.199 nan 8.150 nan 0.000 0.487 353 P HA 0.347 nan 4.420 nan 0.000 0.263 353 P C 0.185 177.550 177.300 0.108 0.000 1.195 353 P CA 1.060 64.183 63.100 0.038 0.000 0.762 353 P CB 0.517 32.249 31.700 0.053 0.000 0.799 354 G N 1.643 110.530 108.800 0.145 0.000 2.521 354 G HA2 0.367 4.328 3.960 0.000 0.000 0.589 354 G HA3 0.367 4.328 3.960 0.000 0.000 0.589 354 G C -0.514 174.543 174.900 0.262 0.000 1.501 354 G CA -0.444 44.765 45.100 0.182 0.000 0.887 354 G HN 0.649 nan 8.290 nan 0.000 0.654 355 G N -0.657 108.266 108.800 0.205 0.000 2.531 355 G HA2 0.727 4.687 3.960 0.000 0.000 0.313 355 G HA3 0.727 4.687 3.960 0.000 0.000 0.313 355 G C 1.197 176.123 174.900 0.043 0.000 1.238 355 G CA -0.288 44.923 45.100 0.184 0.000 0.994 355 G HN 1.692 nan 8.290 nan 0.000 0.493 356 I N -2.441 118.020 120.570 -0.182 0.000 3.904 356 I HA 0.386 4.556 4.170 0.000 0.000 0.333 356 I C 1.389 177.520 176.117 0.024 0.000 1.361 356 I CA -0.197 60.998 61.300 -0.175 0.000 1.116 356 I CB -0.027 37.731 38.000 -0.403 0.000 1.028 356 I HN 0.314 nan 8.210 nan 0.000 0.398 357 F N 2.854 122.794 119.950 -0.017 0.000 2.031 357 F HA -0.118 4.410 4.527 0.000 0.000 0.295 357 F C 2.574 178.397 175.800 0.038 0.000 1.133 357 F CA 1.933 59.957 58.000 0.039 0.000 1.188 357 F CB -0.507 38.580 39.000 0.144 0.000 0.974 357 F HN 0.195 nan 8.300 nan 0.000 0.473 358 A N 1.325 124.258 122.820 0.188 0.000 1.849 358 A HA -0.174 4.146 4.320 0.000 0.000 0.217 358 A C -0.217 177.286 177.584 -0.136 0.000 1.202 358 A CA 2.181 54.208 52.037 -0.016 0.000 0.629 358 A CB -2.489 16.503 19.000 -0.013 0.000 0.834 358 A HN 0.394 nan 8.150 nan 0.000 0.447 359 P HA -0.177 nan 4.420 nan 0.000 0.222 359 P C 1.314 178.559 177.300 -0.092 0.000 1.142 359 P CA 1.399 64.446 63.100 -0.089 0.000 0.788 359 P CB -0.230 31.452 31.700 -0.031 0.000 0.767 360 M N -1.680 117.842 119.600 -0.130 0.000 2.558 360 M HA 0.032 4.512 4.480 0.000 0.000 0.255 360 M C 2.070 178.273 176.300 -0.163 0.000 1.113 360 M CA 0.739 55.936 55.300 -0.171 0.000 1.097 360 M CB -0.264 32.213 32.600 -0.205 0.000 1.426 360 M HN -0.068 nan 8.290 nan 0.000 0.488 361 L N -0.605 120.505 121.223 -0.189 0.000 2.068 361 L HA -0.054 4.287 4.340 0.000 0.000 0.204 361 L C 2.789 179.607 176.870 -0.086 0.000 1.076 361 L CA 0.934 55.664 54.840 -0.183 0.000 0.753 361 L CB -0.724 41.206 42.059 -0.214 0.000 0.910 361 L HN 0.254 nan 8.230 nan 0.000 0.439 362 A N 0.594 123.378 122.820 -0.060 0.000 1.841 362 A HA -0.228 4.092 4.320 0.000 0.000 0.216 362 A C 2.224 179.826 177.584 0.030 0.000 1.199 362 A CA 1.709 53.742 52.037 -0.006 0.000 0.621 362 A CB -1.019 17.970 19.000 -0.019 0.000 0.835 362 A HN 0.326 nan 8.150 nan 0.000 0.445 363 L N -0.629 120.619 121.223 0.042 0.000 2.021 363 L HA -0.250 4.090 4.340 0.000 0.000 0.215 363 L C 2.848 179.787 176.870 0.116 0.000 1.074 363 L CA 1.444 56.373 54.840 0.149 0.000 0.760 363 L CB -1.027 41.107 42.059 0.124 0.000 0.889 363 L HN 0.548 nan 8.230 nan 0.000 0.433 364 G N -0.985 107.876 108.800 0.102 0.000 2.446 364 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 364 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 364 G C 1.543 176.513 174.900 0.116 0.000 1.168 364 G CA 1.335 46.561 45.100 0.209 0.000 0.771 364 G HN 0.340 nan 8.290 nan 0.000 0.551 365 T N 0.898 115.468 114.554 0.026 0.000 2.720 365 T HA -0.121 4.229 4.350 0.000 0.000 0.268 365 T C 2.534 177.260 174.700 0.043 0.000 1.037 365 T CA 1.319 63.431 62.100 0.021 0.000 1.144 365 T CB -0.298 68.580 68.868 0.016 0.000 0.864 365 T HN 0.077 nan 8.240 nan 0.000 0.444 366 V N 1.415 121.349 119.914 0.035 0.000 2.358 366 V HA -0.082 4.039 4.120 0.000 0.000 0.246 366 V C 2.378 178.401 176.094 -0.119 0.000 1.047 366 V CA 1.233 63.537 62.300 0.007 0.000 1.035 366 V CB -0.678 31.170 31.823 0.041 0.000 0.658 366 V HN 0.315 nan 8.190 nan 0.000 0.452 367 L N 1.422 122.484 121.223 -0.268 0.000 2.093 367 L HA 0.050 4.390 4.340 0.000 0.000 0.208 367 L C 2.287 179.109 176.870 -0.079 0.000 1.085 367 L CA 2.315 56.879 54.840 -0.459 0.000 0.755 367 L CB -1.274 40.289 42.059 -0.826 0.000 0.904 367 L HN 0.252 nan 8.230 nan 0.000 0.435 368 G N -1.776 107.091 108.800 0.112 0.000 2.402 368 G HA2 -0.223 3.738 3.960 0.000 0.000 0.216 368 G HA3 -0.223 3.738 3.960 0.000 0.000 0.216 368 G C 1.406 176.415 174.900 0.182 0.000 1.162 368 G CA 1.109 46.324 45.100 0.191 0.000 0.777 368 G HN 0.423 nan 8.290 nan 0.000 0.539 369 T N 1.907 116.526 114.554 0.109 0.000 2.652 369 T HA -0.056 4.294 4.350 0.000 0.000 0.267 369 T C 2.844 177.578 174.700 0.056 0.000 1.039 369 T CA 1.772 63.933 62.100 0.102 0.000 1.153 369 T CB -0.584 68.339 68.868 0.091 0.000 0.863 369 T HN 0.376 nan 8.240 nan 0.000 0.428 370 A N 1.173 123.998 122.820 0.008 0.000 1.903 370 A HA -0.164 4.157 4.320 0.000 0.000 0.219 370 A C 2.046 179.592 177.584 -0.063 0.000 1.191 370 A CA 1.987 53.998 52.037 -0.042 0.000 0.638 370 A CB -1.192 17.746 19.000 -0.103 0.000 0.823 370 A HN 0.497 nan 8.150 nan 0.000 0.451 371 F N 0.861 120.717 119.950 -0.157 0.000 2.069 371 F HA -0.068 4.459 4.527 0.000 0.000 0.298 371 F C 2.388 177.946 175.800 -0.404 0.000 1.113 371 F CA 1.806 59.673 58.000 -0.221 0.000 1.214 371 F CB -0.790 38.118 39.000 -0.152 0.000 0.978 371 F HN 0.226 nan 8.300 nan 0.000 0.474 372 G N 0.701 109.358 108.800 -0.238 0.000 2.514 372 G HA2 -0.314 3.647 3.960 0.000 0.000 0.217 372 G HA3 -0.314 3.647 3.960 0.000 0.000 0.217 372 G C 1.631 176.292 174.900 -0.397 0.000 1.198 372 G CA 1.202 45.944 45.100 -0.595 0.000 0.780 372 G HN 0.286 nan 8.290 nan 0.000 0.565 373 M N 0.172 119.661 119.600 -0.185 0.000 2.240 373 M HA -0.207 4.274 4.480 0.000 0.000 0.250 373 M C 2.687 178.872 176.300 -0.191 0.000 1.075 373 M CA 1.468 56.689 55.300 -0.131 0.000 1.072 373 M CB -1.395 31.155 32.600 -0.082 0.000 1.305 373 M HN 0.172 nan 8.290 nan 0.000 0.414 374 V N -0.083 119.659 119.914 -0.286 0.000 2.244 374 V HA -0.213 3.907 4.120 0.000 0.000 0.244 374 V C 2.659 178.564 176.094 -0.315 0.000 1.042 374 V CA 1.945 64.062 62.300 -0.305 0.000 1.006 374 V CB -1.475 30.117 31.823 -0.385 0.000 0.641 374 V HN 0.569 nan 8.190 nan 0.000 0.446 375 A N -0.050 122.460 122.820 -0.516 0.000 1.986 375 A HA -0.191 4.130 4.320 0.000 0.000 0.220 375 A C 2.380 179.918 177.584 -0.077 0.000 1.171 375 A CA 2.193 54.026 52.037 -0.340 0.000 0.640 375 A CB -0.801 17.683 19.000 -0.860 0.000 0.811 375 A HN 0.359 nan 8.150 nan 0.000 0.451 376 V N 1.065 120.880 119.914 -0.165 0.000 2.287 376 V HA -0.303 3.817 4.120 0.000 0.000 0.248 376 V C 2.430 178.516 176.094 -0.012 0.000 1.053 376 V CA 2.380 64.658 62.300 -0.036 0.000 1.027 376 V CB -0.961 30.838 31.823 -0.039 0.000 0.646 376 V HN 0.923 nan 8.190 nan 0.000 0.447 377 E N -0.221 119.939 120.200 -0.066 0.000 2.478 377 E HA 0.026 4.376 4.350 0.000 0.000 0.194 377 E C 1.919 178.429 176.600 -0.150 0.000 1.045 377 E CA 0.387 56.736 56.400 -0.086 0.000 0.868 377 E CB -0.079 29.568 29.700 -0.089 0.000 0.885 377 E HN 0.540 nan 8.360 nan 0.000 0.505 378 L N -0.272 120.834 121.223 -0.195 0.000 2.354 378 L HA 0.163 4.503 4.340 0.000 0.000 0.212 378 L C 0.268 176.695 176.870 -0.739 0.000 1.091 378 L CA 0.356 54.899 54.840 -0.495 0.000 0.828 378 L CB 0.199 41.845 42.059 -0.688 0.000 0.973 378 L HN 0.071 nan 8.230 nan 0.000 0.461 379 F N 0.108 119.936 119.950 -0.203 0.000 2.531 379 F HA 0.328 4.855 4.527 0.000 0.000 0.333 379 F C -1.700 173.947 175.800 -0.256 0.000 1.292 379 F CA -2.268 55.530 58.000 -0.336 0.000 1.184 379 F CB 0.116 38.764 39.000 -0.585 0.000 1.426 379 F HN -0.164 nan 8.300 nan 0.000 0.559 380 P HA -0.150 nan 4.420 nan 0.000 0.242 380 P C 0.617 177.796 177.300 -0.202 0.000 1.197 380 P CA 0.946 63.986 63.100 -0.099 0.000 0.765 380 P CB 0.207 31.848 31.700 -0.097 0.000 0.936 381 Q N -1.696 117.998 119.800 -0.177 0.000 2.432 381 Q HA -0.047 4.294 4.340 0.000 0.000 0.205 381 Q C 1.401 177.415 176.000 0.023 0.000 0.945 381 Q CA 0.715 56.429 55.803 -0.149 0.000 0.924 381 Q CB -0.621 28.035 28.738 -0.135 0.000 1.016 381 Q HN 0.386 nan 8.270 nan 0.000 0.503 382 Y N -0.379 119.898 120.300 -0.039 0.000 2.481 382 Y HA 0.098 4.649 4.550 0.000 0.000 0.258 382 Y C -0.196 175.755 175.900 0.085 0.000 1.103 382 Y CA -0.711 57.412 58.100 0.038 0.000 1.287 382 Y CB 0.593 39.103 38.460 0.083 0.000 1.108 382 Y HN 0.212 nan 8.280 nan 0.000 0.529 383 H N 0.769 119.981 119.070 0.237 0.000 2.702 383 H HA -0.130 4.426 4.556 0.000 0.000 0.328 383 H C -0.598 174.819 175.328 0.150 0.000 1.111 383 H CA 0.474 56.612 56.048 0.149 0.000 1.109 383 H CB -1.772 28.057 29.762 0.112 0.000 1.606 383 H HN 0.323 nan 8.280 nan 0.000 0.399 384 L N 0.786 122.159 121.223 0.249 0.000 2.344 384 L HA 0.404 4.744 4.340 0.000 0.000 0.272 384 L C 0.898 177.879 176.870 0.185 0.000 1.035 384 L CA -0.378 54.602 54.840 0.234 0.000 0.807 384 L CB 1.811 44.030 42.059 0.267 0.000 1.237 384 L HN 0.333 nan 8.230 nan 0.000 0.442 385 E N 0.653 120.973 120.200 0.200 0.000 2.165 385 E HA 0.384 4.734 4.350 0.000 0.000 0.266 385 E C 0.258 176.994 176.600 0.226 0.000 0.889 385 E CA -0.398 56.095 56.400 0.154 0.000 0.756 385 E CB 1.961 31.726 29.700 0.108 0.000 1.131 385 E HN 0.708 nan 8.360 nan 0.000 0.411 386 A N 4.184 127.104 122.820 0.167 0.000 1.917 386 A HA -0.193 4.127 4.320 0.000 0.000 0.219 386 A C 1.933 179.675 177.584 0.263 0.000 1.182 386 A CA 2.088 54.242 52.037 0.195 0.000 0.633 386 A CB -1.202 17.847 19.000 0.082 0.000 0.819 386 A HN 0.872 nan 8.150 nan 0.000 0.448 387 G N -0.046 108.847 108.800 0.155 0.000 2.649 387 G HA2 -0.427 3.534 3.960 0.000 0.000 0.220 387 G HA3 -0.427 3.534 3.960 0.000 0.000 0.220 387 G C 1.835 176.796 174.900 0.102 0.000 1.189 387 G CA 2.998 48.161 45.100 0.104 0.000 0.777 387 G HN 0.915 nan 8.290 nan 0.000 0.602 388 T N -1.051 113.556 114.554 0.089 0.000 2.721 388 T HA -0.191 4.160 4.350 0.000 0.000 0.268 388 T C 2.105 176.798 174.700 -0.011 0.000 1.038 388 T CA 1.719 63.806 62.100 -0.021 0.000 1.145 388 T CB -0.540 68.279 68.868 -0.082 0.000 0.858 388 T HN 0.203 nan 8.240 nan 0.000 0.459 389 F N 1.822 121.864 119.950 0.153 0.000 2.407 389 F HA 0.397 4.924 4.527 0.000 0.000 0.299 389 F C 2.800 178.631 175.800 0.051 0.000 1.097 389 F CA 0.296 58.371 58.000 0.124 0.000 1.422 389 F CB -0.613 38.436 39.000 0.081 0.000 1.067 389 F HN 0.298 nan 8.300 nan 0.000 0.539 390 A N 0.135 123.066 122.820 0.186 0.000 1.872 390 A HA -0.063 4.257 4.320 0.000 0.000 0.214 390 A C 2.032 179.615 177.584 -0.001 0.000 1.187 390 A CA 1.332 53.422 52.037 0.088 0.000 0.614 390 A CB -0.793 18.249 19.000 0.071 0.000 0.826 390 A HN 0.208 nan 8.150 nan 0.000 0.442 391 I N 0.391 120.943 120.570 -0.029 0.000 2.315 391 I HA -0.173 3.997 4.170 0.000 0.000 0.248 391 I C 2.839 178.869 176.117 -0.145 0.000 1.117 391 I CA 1.130 62.372 61.300 -0.096 0.000 1.404 391 I CB -0.621 37.312 38.000 -0.111 0.000 1.071 391 I HN 0.305 nan 8.210 nan 0.000 0.419 392 A N 0.307 123.049 122.820 -0.130 0.000 1.865 392 A HA -0.109 4.211 4.320 0.000 0.000 0.217 392 A C 2.269 179.704 177.584 -0.248 0.000 1.191 392 A CA 1.882 53.815 52.037 -0.173 0.000 0.623 392 A CB -1.453 17.536 19.000 -0.018 0.000 0.826 392 A HN 0.438 nan 8.150 nan 0.000 0.444 393 G N -1.407 107.247 108.800 -0.243 0.000 3.327 393 G HA2 0.250 4.211 3.960 0.000 0.000 0.240 393 G HA3 0.250 4.211 3.960 0.000 0.000 0.240 393 G C 1.063 175.713 174.900 -0.418 0.000 1.222 393 G CA 0.486 45.277 45.100 -0.516 0.000 0.871 393 G HN 0.493 nan 8.290 nan 0.000 0.525 394 M N 0.281 119.717 119.600 -0.274 0.000 2.123 394 M HA 0.121 4.601 4.480 0.000 0.000 0.263 394 M C 2.069 178.209 176.300 -0.267 0.000 1.069 394 M CA 1.832 57.005 55.300 -0.212 0.000 1.133 394 M CB 0.190 32.686 32.600 -0.175 0.000 1.356 394 M HN 0.158 nan 8.290 nan 0.000 0.415 395 G N -1.117 107.502 108.800 -0.302 0.000 3.434 395 G HA2 0.381 4.342 3.960 0.000 0.000 0.258 395 G HA3 0.381 4.342 3.960 0.000 0.000 0.258 395 G C 1.066 175.770 174.900 -0.327 0.000 1.128 395 G CA 0.428 45.351 45.100 -0.296 0.000 0.792 395 G HN 0.564 nan 8.290 nan 0.000 0.539 396 A N 0.300 122.802 122.820 -0.529 0.000 2.014 396 A HA 0.142 4.462 4.320 0.000 0.000 0.218 396 A C 2.111 179.490 177.584 -0.342 0.000 1.163 396 A CA 0.622 52.231 52.037 -0.713 0.000 0.652 396 A CB -0.148 17.854 19.000 -1.664 0.000 0.808 396 A HN 0.383 nan 8.150 nan 0.000 0.449 397 L N -0.188 120.962 121.223 -0.121 0.000 2.044 397 L HA -0.033 4.307 4.340 0.000 0.000 0.205 397 L C 2.329 179.195 176.870 -0.006 0.000 1.075 397 L CA 1.510 56.449 54.840 0.164 0.000 0.747 397 L CB -0.979 41.150 42.059 0.117 0.000 0.903 397 L HN 0.418 nan 8.230 nan 0.000 0.435 398 L N 0.059 121.217 121.223 -0.108 0.000 2.013 398 L HA -0.247 4.093 4.340 0.000 0.000 0.212 398 L C 2.801 179.653 176.870 -0.030 0.000 1.073 398 L CA 1.512 56.300 54.840 -0.087 0.000 0.753 398 L CB -0.904 41.071 42.059 -0.140 0.000 0.890 398 L HN 0.303 nan 8.230 nan 0.000 0.432 399 A N -0.275 122.511 122.820 -0.056 0.000 1.940 399 A HA -0.149 4.171 4.320 0.000 0.000 0.219 399 A C 2.403 179.982 177.584 -0.008 0.000 1.176 399 A CA 1.962 53.976 52.037 -0.038 0.000 0.631 399 A CB -0.529 18.419 19.000 -0.088 0.000 0.814 399 A HN 0.459 nan 8.150 nan 0.000 0.446 400 A N -1.930 120.907 122.820 0.029 0.000 2.044 400 A HA 0.233 4.553 4.320 0.000 0.000 0.213 400 A C 2.260 179.867 177.584 0.037 0.000 1.169 400 A CA 1.541 53.608 52.037 0.051 0.000 0.724 400 A CB -0.411 18.670 19.000 0.134 0.000 0.840 400 A HN 0.489 nan 8.150 nan 0.000 0.463 401 S N 0.187 115.909 115.700 0.037 0.000 2.357 401 S HA 0.021 4.491 4.470 0.000 0.000 0.209 401 S C 1.796 176.394 174.600 -0.003 0.000 1.023 401 S CA 0.888 59.108 58.200 0.033 0.000 0.933 401 S CB -0.467 62.763 63.200 0.049 0.000 0.897 401 S HN 0.654 nan 8.310 nan 0.000 0.529 402 I N -0.717 119.826 120.570 -0.046 0.000 3.564 402 I HA 0.329 4.499 4.170 0.000 0.000 0.294 402 I C -0.011 176.125 176.117 0.031 0.000 1.289 402 I CA 0.050 61.301 61.300 -0.081 0.000 1.325 402 I CB -0.538 37.328 38.000 -0.224 0.000 1.039 402 I HN 0.198 nan 8.210 nan 0.000 0.474 403 R N 1.549 122.066 120.500 0.029 0.000 3.158 403 R HA -0.165 4.175 4.340 0.000 0.000 0.244 403 R C -0.082 176.253 176.300 0.059 0.000 0.900 403 R CA 0.514 56.633 56.100 0.032 0.000 0.618 403 R CB -1.768 28.543 30.300 0.018 0.000 1.061 403 R HN 0.674 nan 8.270 nan 0.000 0.471 404 A N 0.011 122.886 122.820 0.091 0.000 3.317 404 A HA 0.442 4.762 4.320 0.000 0.000 0.307 404 A C -1.858 175.786 177.584 0.100 0.000 1.003 404 A CA -1.279 50.837 52.037 0.130 0.000 0.882 404 A CB 0.851 20.011 19.000 0.268 0.000 1.136 404 A HN 0.053 nan 8.150 nan 0.000 0.488 405 P HA -0.224 nan 4.420 nan 0.000 0.214 405 P C 1.770 179.075 177.300 0.009 0.000 1.169 405 P CA 0.922 64.022 63.100 -0.000 0.000 0.908 405 P CB 0.236 31.923 31.700 -0.023 0.000 0.791 406 L N -0.890 120.348 121.223 0.025 0.000 2.021 406 L HA -0.218 4.122 4.340 0.000 0.000 0.215 406 L C 2.119 179.021 176.870 0.053 0.000 1.074 406 L CA 2.274 57.131 54.840 0.029 0.000 0.760 406 L CB -1.582 40.500 42.059 0.037 0.000 0.889 406 L HN -0.004 nan 8.230 nan 0.000 0.433 407 T N -0.917 113.702 114.554 0.108 0.000 2.833 407 T HA -0.094 4.256 4.350 0.000 0.000 0.269 407 T C 1.635 176.391 174.700 0.094 0.000 1.054 407 T CA 1.097 63.285 62.100 0.148 0.000 1.135 407 T CB -0.753 68.296 68.868 0.301 0.000 0.869 407 T HN 0.620 nan 8.240 nan 0.000 0.466 408 G N 2.098 110.932 108.800 0.056 0.000 2.434 408 G HA2 -0.122 3.839 3.960 0.000 0.000 0.214 408 G HA3 -0.122 3.839 3.960 0.000 0.000 0.214 408 G C 1.447 176.303 174.900 -0.072 0.000 1.202 408 G CA 0.440 45.519 45.100 -0.035 0.000 0.788 408 G HN 0.352 nan 8.290 nan 0.000 0.539 409 I N 1.036 121.566 120.570 -0.067 0.000 2.091 409 I HA -0.170 4.000 4.170 0.000 0.000 0.239 409 I C 2.798 178.879 176.117 -0.059 0.000 1.061 409 I CA 1.159 62.408 61.300 -0.085 0.000 1.317 409 I CB -1.207 36.747 38.000 -0.076 0.000 1.031 409 I HN 0.062 nan 8.210 nan 0.000 0.401 410 I N 0.234 120.792 120.570 -0.020 0.000 2.226 410 I HA -0.260 3.910 4.170 0.000 0.000 0.245 410 I C 2.441 178.550 176.117 -0.013 0.000 1.100 410 I CA 1.049 62.347 61.300 -0.004 0.000 1.374 410 I CB -0.724 37.286 38.000 0.017 0.000 1.057 410 I HN 0.167 nan 8.210 nan 0.000 0.413 411 L N -0.315 120.904 121.223 -0.008 0.000 2.042 411 L HA -0.177 4.163 4.340 0.000 0.000 0.210 411 L C 2.429 179.249 176.870 -0.083 0.000 1.076 411 L CA 1.757 56.592 54.840 -0.008 0.000 0.749 411 L CB -0.593 41.482 42.059 0.027 0.000 0.893 411 L HN 0.049 nan 8.230 nan 0.000 0.432 412 V N -0.454 119.389 119.914 -0.118 0.000 2.216 412 V HA -0.296 3.824 4.120 0.000 0.000 0.242 412 V C 2.500 178.528 176.094 -0.111 0.000 1.042 412 V CA 1.834 64.045 62.300 -0.147 0.000 0.991 412 V CB -0.850 30.876 31.823 -0.162 0.000 0.633 412 V HN 0.571 nan 8.190 nan 0.000 0.449 413 L N 0.363 121.534 121.223 -0.087 0.000 2.123 413 L HA -0.282 4.058 4.340 0.000 0.000 0.217 413 L C 2.415 179.263 176.870 -0.037 0.000 1.081 413 L CA 2.172 56.982 54.840 -0.050 0.000 0.772 413 L CB -0.859 41.194 42.059 -0.009 0.000 0.890 413 L HN 0.407 nan 8.230 nan 0.000 0.437 414 E N -0.131 120.045 120.200 -0.040 0.000 2.118 414 E HA -0.201 4.149 4.350 0.000 0.000 0.195 414 E C 1.761 178.329 176.600 -0.055 0.000 0.992 414 E CA 2.006 58.386 56.400 -0.034 0.000 0.804 414 E CB -0.195 29.493 29.700 -0.020 0.000 0.741 414 E HN 0.814 nan 8.360 nan 0.000 0.458 415 M N -2.505 117.041 119.600 -0.090 0.000 2.596 415 M HA 0.338 4.818 4.480 0.000 0.000 0.364 415 M C 1.005 177.228 176.300 -0.128 0.000 1.158 415 M CA 0.028 55.256 55.300 -0.119 0.000 0.940 415 M CB 1.299 33.792 32.600 -0.178 0.000 1.388 415 M HN -0.268 nan 8.290 nan 0.000 0.522 416 T N -0.632 113.861 114.554 -0.103 0.000 3.010 416 T HA 0.059 4.409 4.350 0.000 0.000 0.252 416 T C 0.191 174.848 174.700 -0.071 0.000 0.963 416 T CA 0.576 62.617 62.100 -0.099 0.000 0.952 416 T CB 0.214 69.016 68.868 -0.110 0.000 1.182 416 T HN 0.596 nan 8.240 nan 0.000 0.495 417 D N 1.837 122.205 120.400 -0.054 0.000 2.705 417 D HA -0.140 4.500 4.640 0.000 0.000 0.240 417 D C -0.842 175.446 176.300 -0.020 0.000 1.137 417 D CA 0.420 54.404 54.000 -0.028 0.000 0.677 417 D CB -1.645 39.137 40.800 -0.030 0.000 1.049 417 D HN 0.402 nan 8.370 nan 0.000 0.427 418 N N 0.749 119.431 118.700 -0.030 0.000 2.844 418 N HA 0.152 4.892 4.740 0.000 0.000 0.268 418 N C 0.272 175.754 175.510 -0.047 0.000 1.574 418 N CA -0.540 52.485 53.050 -0.041 0.000 0.838 418 N CB 0.177 38.615 38.487 -0.081 0.000 1.177 418 N HN 0.180 nan 8.380 nan 0.000 0.495 419 Y N 1.705 121.952 120.300 -0.089 0.000 2.384 419 Y HA -0.278 4.272 4.550 0.000 0.000 0.289 419 Y C 2.143 177.980 175.900 -0.105 0.000 1.152 419 Y CA 1.746 59.791 58.100 -0.092 0.000 1.258 419 Y CB 0.211 38.628 38.460 -0.072 0.000 0.979 419 Y HN 0.484 nan 8.280 nan 0.000 0.549 420 Q N -0.292 119.457 119.800 -0.086 0.000 2.197 420 Q HA -0.214 4.126 4.340 0.000 0.000 0.207 420 Q C 1.334 177.166 176.000 -0.279 0.000 0.984 420 Q CA 2.102 57.823 55.803 -0.137 0.000 0.869 420 Q CB -0.739 27.948 28.738 -0.086 0.000 0.906 420 Q HN 0.554 nan 8.270 nan 0.000 0.426 421 L N -0.003 121.027 121.223 -0.322 0.000 2.653 421 L HA 0.155 4.495 4.340 0.000 0.000 0.231 421 L C 1.703 178.297 176.870 -0.461 0.000 1.153 421 L CA -0.471 54.130 54.840 -0.399 0.000 0.933 421 L CB -0.003 41.845 42.059 -0.351 0.000 1.175 421 L HN 0.121 nan 8.230 nan 0.000 0.473 422 I N 0.260 120.485 120.570 -0.574 0.000 2.335 422 I HA -0.286 3.884 4.170 0.000 0.000 0.251 422 I C 2.047 177.903 176.117 -0.436 0.000 1.129 422 I CA 1.512 62.461 61.300 -0.586 0.000 1.402 422 I CB 0.057 37.435 38.000 -1.037 0.000 1.069 422 I HN 0.210 nan 8.210 nan 0.000 0.424 423 L N 1.053 122.020 121.223 -0.427 0.000 2.007 423 L HA 0.018 4.359 4.340 0.000 0.000 0.205 423 L C -0.443 176.204 176.870 -0.371 0.000 1.073 423 L CA 2.090 56.733 54.840 -0.328 0.000 0.744 423 L CB -1.942 39.950 42.059 -0.278 0.000 0.898 423 L HN 0.103 nan 8.230 nan 0.000 0.435 424 P HA -0.157 nan 4.420 nan 0.000 0.218 424 P C 1.985 178.983 177.300 -0.504 0.000 1.148 424 P CA 1.576 64.209 63.100 -0.777 0.000 0.822 424 P CB -0.096 30.606 31.700 -1.664 0.000 0.784 425 M N -1.882 117.463 119.600 -0.426 0.000 2.117 425 M HA -0.139 4.341 4.480 0.000 0.000 0.262 425 M C 2.029 178.188 176.300 -0.234 0.000 1.065 425 M CA 1.852 56.969 55.300 -0.306 0.000 1.114 425 M CB -0.887 31.547 32.600 -0.277 0.000 1.361 425 M HN -0.023 nan 8.290 nan 0.000 0.408 426 I N 0.234 120.676 120.570 -0.214 0.000 2.235 426 I HA -0.224 3.947 4.170 0.000 0.000 0.241 426 I C 2.329 178.369 176.117 -0.128 0.000 1.085 426 I CA 1.001 62.210 61.300 -0.152 0.000 1.378 426 I CB -0.369 37.553 38.000 -0.129 0.000 1.076 426 I HN 0.182 nan 8.210 nan 0.000 0.415 427 I N 0.778 121.269 120.570 -0.133 0.000 2.229 427 I HA -0.360 3.811 4.170 0.000 0.000 0.250 427 I C 2.459 178.538 176.117 -0.063 0.000 1.096 427 I CA 1.676 62.929 61.300 -0.078 0.000 1.358 427 I CB -0.652 37.307 38.000 -0.068 0.000 1.047 427 I HN 0.342 nan 8.210 nan 0.000 0.422 428 T N 0.154 114.648 114.554 -0.099 0.000 2.671 428 T HA -0.054 4.296 4.350 0.000 0.000 0.250 428 T C 1.932 176.550 174.700 -0.137 0.000 1.068 428 T CA 1.325 63.358 62.100 -0.112 0.000 1.177 428 T CB -0.897 67.871 68.868 -0.167 0.000 0.876 428 T HN 0.520 nan 8.240 nan 0.000 0.405 429 G N 1.218 109.912 108.800 -0.176 0.000 2.517 429 G HA2 -0.207 3.753 3.960 0.000 0.000 0.222 429 G HA3 -0.207 3.753 3.960 0.000 0.000 0.222 429 G C 1.528 176.366 174.900 -0.102 0.000 1.109 429 G CA 0.939 45.943 45.100 -0.159 0.000 0.746 429 G HN 0.352 nan 8.290 nan 0.000 0.576 430 L N 0.859 122.032 121.223 -0.084 0.000 2.068 430 L HA 0.278 4.618 4.340 0.000 0.000 0.204 430 L C 2.843 179.678 176.870 -0.058 0.000 1.076 430 L CA 1.991 56.794 54.840 -0.061 0.000 0.753 430 L CB -0.762 41.269 42.059 -0.046 0.000 0.910 430 L HN 0.131 nan 8.230 nan 0.000 0.439 431 G N -1.314 107.460 108.800 -0.044 0.000 2.509 431 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 431 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 431 G C 1.461 176.337 174.900 -0.040 0.000 1.124 431 G CA 0.593 45.676 45.100 -0.029 0.000 0.776 431 G HN 0.554 nan 8.290 nan 0.000 0.547 432 A N -0.027 122.768 122.820 -0.042 0.000 2.119 432 A HA 0.184 4.504 4.320 0.000 0.000 0.216 432 A C 2.288 179.846 177.584 -0.042 0.000 1.152 432 A CA 1.861 53.893 52.037 -0.008 0.000 0.708 432 A CB -0.128 18.865 19.000 -0.011 0.000 0.805 432 A HN 0.234 nan 8.150 nan 0.000 0.460 433 T N -0.404 114.099 114.554 -0.084 0.000 3.037 433 T HA 0.229 4.579 4.350 0.000 0.000 0.251 433 T C 1.628 176.198 174.700 -0.217 0.000 1.079 433 T CA 0.224 62.259 62.100 -0.109 0.000 1.067 433 T CB -0.025 68.793 68.868 -0.083 0.000 0.948 433 T HN 0.297 nan 8.240 nan 0.000 0.496 434 L N 0.664 121.723 121.223 -0.273 0.000 2.013 434 L HA 0.115 4.456 4.340 0.000 0.000 0.204 434 L C 2.133 178.551 176.870 -0.753 0.000 1.081 434 L CA 0.682 55.163 54.840 -0.598 0.000 0.751 434 L CB -0.557 41.272 42.059 -0.384 0.000 0.901 434 L HN 0.163 nan 8.230 nan 0.000 0.440 435 L N 0.447 121.467 121.223 -0.338 0.000 2.551 435 L HA -0.145 4.195 4.340 0.000 0.000 0.230 435 L C 2.126 178.917 176.870 -0.132 0.000 1.163 435 L CA 1.204 55.951 54.840 -0.155 0.000 0.826 435 L CB -1.499 40.561 42.059 0.001 0.000 0.943 435 L HN 0.283 nan 8.230 nan 0.000 0.452 436 A N -1.667 121.044 122.820 -0.182 0.000 2.345 436 A HA 0.012 4.332 4.320 0.000 0.000 0.225 436 A C 2.065 179.576 177.584 -0.122 0.000 1.243 436 A CA 0.084 52.059 52.037 -0.103 0.000 0.875 436 A CB 0.139 19.102 19.000 -0.063 0.000 0.929 436 A HN 0.448 nan 8.150 nan 0.000 0.502 437 Q N -1.402 118.253 119.800 -0.242 0.000 2.548 437 Q HA 0.112 4.452 4.340 0.000 0.000 0.230 437 Q C 0.436 176.460 176.000 0.040 0.000 0.899 437 Q CA 0.315 56.030 55.803 -0.146 0.000 0.936 437 Q CB 0.147 28.734 28.738 -0.253 0.000 1.114 437 Q HN 0.501 nan 8.270 nan 0.000 0.606 438 F N 1.255 121.220 119.950 0.026 0.000 2.722 438 F HA 0.043 4.570 4.527 0.000 0.000 0.298 438 F C 1.667 177.481 175.800 0.022 0.000 1.175 438 F CA 1.175 59.190 58.000 0.025 0.000 1.462 438 F CB -0.542 38.475 39.000 0.027 0.000 1.111 438 F HN 0.165 nan 8.300 nan 0.000 0.592 439 T N -3.985 110.651 114.554 0.137 0.000 3.091 439 T HA 0.436 4.786 4.350 0.000 0.000 0.277 439 T C 1.111 175.841 174.700 0.049 0.000 0.996 439 T CA 0.083 62.231 62.100 0.080 0.000 0.897 439 T CB 0.025 68.918 68.868 0.041 0.000 1.109 439 T HN 0.344 nan 8.240 nan 0.000 0.534 440 G N 0.692 109.529 108.800 0.061 0.000 2.342 440 G HA2 0.205 4.166 3.960 0.000 0.000 0.267 440 G HA3 0.205 4.166 3.960 0.000 0.000 0.267 440 G C 0.250 175.161 174.900 0.017 0.000 0.922 440 G CA -0.196 44.932 45.100 0.045 0.000 1.342 440 G HN 0.992 nan 8.290 nan 0.000 0.430 441 G N 0.130 108.934 108.800 0.006 0.000 2.932 441 G HA2 0.860 4.820 3.960 0.000 0.000 0.283 441 G HA3 0.860 4.820 3.960 0.000 0.000 0.283 441 G C -0.468 174.440 174.900 0.013 0.000 1.336 441 G CA -0.920 44.177 45.100 -0.006 0.000 1.056 441 G HN 0.592 nan 8.290 nan 0.000 0.522 442 K N -0.395 120.016 120.400 0.018 0.000 2.532 442 K HA 0.334 4.655 4.320 0.000 0.000 0.265 442 K C -2.878 173.750 176.600 0.048 0.000 0.948 442 K CA -1.655 54.656 56.287 0.041 0.000 0.842 442 K CB 2.990 35.520 32.500 0.051 0.000 1.392 442 K HN 0.099 nan 8.250 nan 0.000 0.436 443 P HA -0.074 nan 4.420 nan 0.000 0.257 443 P C 0.943 178.301 177.300 0.097 0.000 1.269 443 P CA -0.006 63.139 63.100 0.076 0.000 1.122 443 P CB 0.099 31.858 31.700 0.097 0.000 1.285 444 L N 3.380 124.637 121.223 0.056 0.000 2.151 444 L HA -0.271 4.069 4.340 0.000 0.000 0.219 444 L C 1.285 178.264 176.870 0.183 0.000 1.083 444 L CA 2.300 57.184 54.840 0.073 0.000 0.782 444 L CB -0.978 41.082 42.059 0.001 0.000 0.891 444 L HN 0.445 nan 8.230 nan 0.000 0.439 445 Y N -1.180 119.196 120.300 0.127 0.000 2.373 445 Y HA -0.170 4.380 4.550 0.000 0.000 0.293 445 Y C 2.682 178.634 175.900 0.088 0.000 1.129 445 Y CA 0.661 58.831 58.100 0.117 0.000 1.226 445 Y CB 0.218 38.741 38.460 0.106 0.000 1.000 445 Y HN 0.263 nan 8.280 nan 0.000 0.549 446 S N -0.257 115.585 115.700 0.237 0.000 2.371 446 S HA -0.058 4.412 4.470 0.000 0.000 0.219 446 S C 2.265 176.943 174.600 0.130 0.000 1.040 446 S CA 0.644 58.939 58.200 0.158 0.000 0.958 446 S CB -0.434 62.856 63.200 0.149 0.000 0.860 446 S HN 0.456 nan 8.310 nan 0.000 0.487 447 A N 1.470 124.364 122.820 0.124 0.000 2.054 447 A HA -0.147 4.173 4.320 0.000 0.000 0.223 447 A C 1.904 179.548 177.584 0.100 0.000 1.169 447 A CA 1.374 53.469 52.037 0.097 0.000 0.655 447 A CB -0.849 18.202 19.000 0.086 0.000 0.812 447 A HN 0.538 nan 8.150 nan 0.000 0.462 448 I N -1.550 119.104 120.570 0.140 0.000 2.716 448 I HA -0.114 4.056 4.170 0.000 0.000 0.259 448 I C 2.271 178.444 176.117 0.093 0.000 1.172 448 I CA 0.528 61.909 61.300 0.135 0.000 1.478 448 I CB -0.108 38.023 38.000 0.218 0.000 1.104 448 I HN 0.367 nan 8.210 nan 0.000 0.439 449 L N 1.242 122.518 121.223 0.088 0.000 2.044 449 L HA -0.008 4.332 4.340 0.000 0.000 0.205 449 L C 2.630 179.522 176.870 0.037 0.000 1.075 449 L CA 1.973 56.843 54.840 0.051 0.000 0.747 449 L CB -0.827 41.259 42.059 0.045 0.000 0.903 449 L HN 0.157 nan 8.230 nan 0.000 0.435 450 A N 0.073 122.919 122.820 0.042 0.000 1.870 450 A HA -0.292 4.028 4.320 0.000 0.000 0.219 450 A C 2.360 179.957 177.584 0.022 0.000 1.224 450 A CA 2.281 54.333 52.037 0.026 0.000 0.650 450 A CB -0.713 18.305 19.000 0.031 0.000 0.836 450 A HN 0.471 nan 8.150 nan 0.000 0.454 451 R N -1.169 119.349 120.500 0.030 0.000 2.103 451 R HA -0.148 4.193 4.340 0.000 0.000 0.234 451 R C 2.214 178.522 176.300 0.014 0.000 1.132 451 R CA 1.903 58.016 56.100 0.021 0.000 0.925 451 R CB -1.725 28.591 30.300 0.026 0.000 0.842 451 R HN 0.561 nan 8.270 nan 0.000 0.430 452 T N 0.786 115.350 114.554 0.017 0.000 3.320 452 T HA -0.009 4.341 4.350 0.000 0.000 0.262 452 T C 1.296 176.000 174.700 0.006 0.000 1.187 452 T CA 0.401 62.507 62.100 0.009 0.000 1.038 452 T CB -0.118 68.757 68.868 0.011 0.000 0.939 452 T HN 0.034 nan 8.240 nan 0.000 0.550 453 L N -0.488 120.739 121.223 0.007 0.000 2.641 453 L HA 0.605 4.946 4.340 0.000 0.000 0.207 453 L C 2.358 179.230 176.870 0.002 0.000 1.049 453 L CA 0.919 55.761 54.840 0.003 0.000 0.866 453 L CB -0.749 41.311 42.059 0.001 0.000 1.264 453 L HN 0.118 nan 8.230 nan 0.000 0.483 454 A N -0.635 122.187 122.820 0.004 0.000 2.015 454 A HA -0.175 4.145 4.320 0.000 0.000 0.219 454 A C 2.109 179.697 177.584 0.007 0.000 1.163 454 A CA 1.574 53.614 52.037 0.003 0.000 0.646 454 A CB -0.424 18.579 19.000 0.004 0.000 0.806 454 A HN 0.321 nan 8.150 nan 0.000 0.448 455 K N -0.949 119.456 120.400 0.007 0.000 2.437 455 K HA 0.065 4.385 4.320 0.000 0.000 0.198 455 K C 1.555 178.161 176.600 0.010 0.000 1.024 455 K CA 0.461 56.754 56.287 0.010 0.000 1.148 455 K CB 0.120 32.624 32.500 0.007 0.000 0.860 455 K HN 0.394 nan 8.250 nan 0.000 0.515 456 Q N 0.306 120.111 119.800 0.008 0.000 2.391 456 Q HA 0.029 4.369 4.340 0.000 0.000 0.243 456 Q C 1.426 177.431 176.000 0.007 0.000 0.874 456 Q CA 0.674 56.482 55.803 0.007 0.000 0.950 456 Q CB 0.409 29.149 28.738 0.004 0.000 1.103 456 Q HN 0.379 nan 8.270 nan 0.000 0.544 457 E N -0.454 119.749 120.200 0.006 0.000 2.051 457 E HA 0.002 4.353 4.350 0.000 0.000 0.189 457 E C 0.617 177.221 176.600 0.008 0.000 0.979 457 E CA 0.822 57.226 56.400 0.005 0.000 0.803 457 E CB -0.064 29.637 29.700 0.003 0.000 0.761 457 E HN 0.309 nan 8.360 nan 0.000 0.451 458 A N 0.935 123.761 122.820 0.010 0.000 2.324 458 A HA 0.006 4.326 4.320 0.000 0.000 0.240 458 A C 1.068 178.661 177.584 0.015 0.000 1.347 458 A CA 0.294 52.338 52.037 0.012 0.000 1.036 458 A CB -0.320 18.689 19.000 0.014 0.000 0.917 458 A HN 0.373 nan 8.150 nan 0.000 0.519 459 E N -0.840 119.368 120.200 0.014 0.000 2.789 459 E HA 0.109 4.460 4.350 0.000 0.000 0.217 459 E C 0.008 176.615 176.600 0.012 0.000 0.970 459 E CA 0.056 56.465 56.400 0.015 0.000 1.201 459 E CB 0.233 29.944 29.700 0.017 0.000 1.069 459 E HN 0.653 nan 8.360 nan 0.000 0.499 460 Q N 1.013 120.819 119.800 0.010 0.000 2.217 460 Q HA 0.357 4.698 4.340 0.000 0.000 0.340 460 Q C -0.411 175.594 176.000 0.008 0.000 0.893 460 Q CA -0.071 55.737 55.803 0.008 0.000 1.142 460 Q CB 1.141 29.884 28.738 0.007 0.000 1.288 460 Q HN 0.172 nan 8.270 nan 0.000 0.426 461 L N 0.000 121.228 121.223 0.008 0.000 2.949 461 L HA 0.000 4.340 4.340 0.000 0.000 0.249 461 L CA 0.000 54.845 54.840 0.008 0.000 0.813 461 L CB 0.000 42.064 42.059 0.009 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502