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_D 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 1.114 123.933 122.820 -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 2.103 54.138 52.037 -0.003 0.000 0.616 13 A CB -0.579 18.419 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 -0.050 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 1.178 53.213 52.037 -0.004 0.000 0.608 14 A CB -0.468 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 -0.867 119.631 120.500 -0.004 0.000 2.377 15 R HA -0.004 4.336 4.340 0.000 0.000 0.207 15 R C 1.445 177.742 176.300 -0.005 0.000 1.075 15 R CA 0.707 56.805 56.100 -0.004 0.000 1.035 15 R CB -0.288 30.010 30.300 -0.003 0.000 0.857 15 R HN 0.477 nan 8.270 nan 0.000 0.475 16 L N -0.076 121.143 121.223 -0.006 0.000 2.388 16 L HA 0.098 4.438 4.340 0.000 0.000 0.209 16 L C 1.946 178.810 176.870 -0.009 0.000 1.061 16 L CA 0.994 55.829 54.840 -0.007 0.000 0.834 16 L CB -0.006 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 -0.249 120.245 120.500 -0.010 0.000 2.113 17 R HA -0.210 4.130 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 2.076 58.168 56.100 -0.014 0.000 0.953 17 R CB -0.534 29.758 30.300 -0.013 0.000 0.860 17 R HN 0.366 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 1.765 57.860 56.100 -0.009 0.000 0.944 18 R CB -0.402 29.894 30.300 -0.007 0.000 0.857 18 R HN 0.273 nan 8.270 nan 0.000 0.435 19 R N 0.639 121.134 120.500 -0.008 0.000 2.200 19 R HA -0.171 4.169 4.340 0.000 0.000 0.234 19 R C 2.216 178.510 176.300 -0.009 0.000 1.127 19 R CA 1.331 57.426 56.100 -0.008 0.000 0.989 19 R CB -0.125 30.171 30.300 -0.007 0.000 0.869 19 R HN 0.479 nan 8.270 nan 0.000 0.459 20 Q N 0.324 120.117 119.800 -0.012 0.000 1.990 20 Q HA 0.007 4.347 4.340 0.000 0.000 0.195 20 Q C 2.272 178.262 176.000 -0.016 0.000 0.977 20 Q CA 0.693 56.487 55.803 -0.016 0.000 0.828 20 Q CB -0.086 28.640 28.738 -0.021 0.000 0.896 20 Q HN 0.213 nan 8.270 nan 0.000 0.447 21 L N 0.957 122.169 121.223 -0.017 0.000 1.976 21 L HA -0.308 4.032 4.340 0.000 0.000 0.223 21 L C 2.483 179.347 176.870 -0.011 0.000 1.081 21 L CA 1.508 56.339 54.840 -0.015 0.000 0.784 21 L CB -0.836 41.214 42.059 -0.014 0.000 0.896 21 L HN 0.331 nan 8.230 nan 0.000 0.438 22 I N -0.820 119.744 120.570 -0.009 0.000 2.236 22 I HA -0.340 3.830 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 1.412 62.708 61.300 -0.007 0.000 1.365 22 I CB -0.466 37.530 38.000 -0.006 0.000 1.051 22 I HN 0.294 nan 8.210 nan 0.000 0.420 23 R N 0.189 120.684 120.500 -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 0.959 57.055 56.100 -0.006 0.000 0.984 23 R CB -0.074 30.223 30.300 -0.007 0.000 0.884 23 R HN 0.535 nan 8.270 nan 0.000 0.447 24 Q N 0.357 120.153 119.800 -0.008 0.000 2.036 24 Q HA -0.018 4.322 4.340 0.000 0.000 0.195 24 Q C 2.282 178.281 176.000 -0.002 0.000 0.971 24 Q CA 0.856 56.655 55.803 -0.006 0.000 0.826 24 Q CB -0.048 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 -0.415 120.806 121.223 -0.002 0.000 2.651 26 L HA -0.178 4.163 4.340 0.000 0.000 0.236 26 L C 1.840 178.709 176.870 -0.002 0.000 1.173 26 L CA 0.536 55.374 54.840 -0.003 0.000 0.843 26 L CB -0.438 41.619 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 1.151 121.654 120.500 0.006 0.000 2.678 28 R HA -0.073 4.267 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 1.239 57.346 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 1.094 121.502 120.400 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 0.869 121.279 120.400 0.016 0.000 2.263 30 K HA 0.612 4.932 4.320 0.000 0.000 0.272 30 K C -1.014 175.594 176.600 0.014 0.000 1.033 30 K CA -0.256 56.040 56.287 0.015 0.000 0.884 30 K CB 1.205 33.717 32.500 0.021 0.000 1.107 30 K HN 0.086 nan 8.250 nan 0.000 0.460 31 T N 5.606 120.165 114.554 0.009 0.000 3.187 31 T HA 0.268 4.618 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 -1.024 61.081 62.100 0.009 0.000 1.049 31 T CB 1.446 70.318 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 1.113 178.422 177.300 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 4.426 125.657 121.223 0.013 0.000 2.283 33 L HA -0.291 4.049 4.340 0.000 0.000 0.217 33 L C 1.836 178.732 176.870 0.043 0.000 1.104 33 L CA 2.399 57.254 54.840 0.025 0.000 0.772 33 L CB -0.935 41.130 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 1.975 34 A HA -0.007 4.313 4.320 0.000 0.000 0.215 34 A C 2.203 179.814 177.584 0.045 0.000 1.170 34 A CA 1.333 53.385 52.037 0.025 0.000 0.656 34 A CB -0.567 18.430 19.000 -0.005 0.000 0.821 34 A HN 0.481 nan 8.150 nan 0.000 0.449 35 I N -0.067 120.520 120.570 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 0.953 62.263 61.300 0.016 0.000 1.392 35 I CB -0.343 37.664 38.000 0.011 0.000 1.065 35 I HN 0.311 nan 8.210 nan 0.000 0.418 36 L N -0.156 121.088 121.223 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 1.538 56.396 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 0.046 119.959 119.950 -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 0.148 119.765 119.600 0.029 0.000 2.216 38 M HA 0.126 4.606 4.480 0.000 0.000 0.264 38 M C 2.349 178.563 176.300 -0.142 0.000 1.080 38 M CA 1.734 56.979 55.300 -0.091 0.000 1.153 38 M CB -0.951 31.608 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 1.912 53.898 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 -0.172 0.000 2.024 40 A HA 0.037 4.357 4.320 0.000 0.000 0.220 40 A C 2.121 179.551 177.584 -0.255 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 -1.049 118.696 119.914 -0.281 0.000 2.500 41 V HA -0.121 3.999 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 63.555 62.300 -0.230 0.000 1.053 41 V CB -0.429 31.243 31.823 -0.253 0.000 0.695 41 V HN 0.325 nan 8.190 nan 0.000 0.463 42 V N 1.432 121.267 119.914 -0.131 0.000 2.392 42 V HA -0.233 3.887 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 2.365 64.603 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 -0.507 108.235 108.800 -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 1.403 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 1.090 115.599 114.554 -0.076 0.000 2.803 44 T HA -0.066 4.284 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 0.898 62.967 62.100 -0.052 0.000 1.136 44 T CB -0.058 68.772 68.868 -0.063 0.000 0.864 44 T HN 0.045 nan 8.240 nan 0.000 0.467 45 L N 0.079 121.267 121.223 -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 40.957 42.059 -0.047 0.000 0.955 45 L HN 0.045 nan 8.230 nan 0.000 0.462 46 V N 0.284 120.142 119.914 -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 2.178 64.408 62.300 -0.117 0.000 1.049 46 V CB -1.457 30.296 31.823 -0.115 0.000 0.651 46 V HN 0.599 nan 8.190 nan 0.000 0.450 47 G N -0.802 107.944 108.800 -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 1.442 176.291 174.900 -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 1.390 122.561 121.223 -0.088 0.000 2.450 48 L HA 0.198 4.538 4.340 0.000 0.000 0.224 48 L C 2.727 179.493 176.870 -0.174 0.000 1.149 48 L CA 1.219 55.976 54.840 -0.137 0.000 0.816 48 L CB -0.469 41.550 42.059 -0.067 0.000 0.932 48 L HN 0.261 nan 8.230 nan 0.000 0.449 49 A N -1.272 121.451 122.820 -0.161 0.000 1.871 49 A HA 0.179 4.499 4.320 0.000 0.000 0.211 49 A C 2.416 179.842 177.584 -0.264 0.000 1.207 49 A CA 0.925 52.829 52.037 -0.222 0.000 0.620 49 A CB -0.856 18.001 19.000 -0.239 0.000 0.860 49 A HN 0.393 nan 8.150 nan 0.000 0.450 50 A N -0.311 122.390 122.820 -0.198 0.000 1.908 50 A HA -0.061 4.259 4.320 0.000 0.000 0.218 50 A C 2.326 179.902 177.584 -0.013 0.000 1.181 50 A CA 1.912 53.886 52.037 -0.105 0.000 0.627 50 A CB -1.228 17.720 19.000 -0.086 0.000 0.818 50 A HN 0.975 nan 8.150 nan 0.000 0.445 51 V N -0.190 119.679 119.914 -0.076 0.000 2.332 51 V HA -0.211 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 2.595 64.822 62.300 -0.122 0.000 1.038 51 V CB -0.853 30.742 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 -0.182 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 1.851 53.835 52.037 -0.088 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 1.590 121.387 119.950 -0.254 0.000 2.025 53 F HA -0.266 4.261 4.527 0.000 0.000 0.297 53 F C 1.990 177.764 175.800 -0.042 0.000 1.132 53 F CA 2.509 60.362 58.000 -0.246 0.000 1.191 53 F CB -0.658 38.041 39.000 -0.502 0.000 0.963 53 F HN 0.401 nan 8.300 nan 0.000 0.481 54 D N 0.410 120.800 120.400 -0.017 0.000 2.137 54 D HA -0.280 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 2.061 56.031 54.000 -0.050 0.000 0.839 54 D CB -0.480 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 -0.019 120.376 120.400 -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 1.409 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 -0.030 108.759 108.800 -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 1.569 176.486 174.900 0.029 0.000 1.166 56 G CA 0.530 45.650 45.100 0.034 0.000 0.793 56 G HN 0.176 nan 8.290 nan 0.000 0.533 57 V N 1.527 121.334 119.914 -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 -0.187 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 -1.697 121.136 122.820 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 0.785 52.869 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 0.168 121.447 121.300 -0.035 0.000 2.576 59 W HA 0.135 4.795 4.660 0.000 0.000 0.275 59 W C 1.368 177.872 176.519 -0.025 0.000 1.241 59 W CA 0.877 58.209 57.345 -0.022 0.000 1.328 59 W CB -0.072 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 0.487 121.684 121.223 -0.043 0.000 2.376 60 L HA -0.128 4.212 4.340 0.000 0.000 0.219 60 L C 2.141 178.901 176.870 -0.184 0.000 1.133 60 L CA 1.032 55.747 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 -0.595 119.144 119.800 -0.101 0.000 2.354 61 Q HA -0.093 4.247 4.340 0.000 0.000 0.203 61 Q C 1.784 177.733 176.000 -0.084 0.000 0.933 61 Q CA 0.707 56.472 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 -0.147 118.478 118.700 -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 0.512 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 0.963 120.517 119.800 -0.410 0.000 2.020 63 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 63 Q C 1.976 177.824 176.000 -0.254 0.000 0.974 63 Q CA 1.013 56.565 55.803 -0.418 0.000 0.829 63 Q CB -0.578 27.751 28.738 -0.681 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 1.722 177.967 176.300 -0.091 0.000 1.127 64 R CA 0.926 56.947 56.100 -0.133 0.000 0.989 64 R CB 0.128 30.369 30.300 -0.099 0.000 0.869 64 R HN 0.140 nan 8.270 nan 0.000 0.459 65 M N -1.450 118.098 119.600 -0.086 0.000 2.465 65 M HA 0.117 4.597 4.480 0.000 0.000 0.249 65 M C 1.748 178.020 176.300 -0.047 0.000 1.130 65 M CA 0.601 55.877 55.300 -0.040 0.000 1.067 65 M CB 0.681 33.274 32.600 -0.012 0.000 1.394 65 M HN 0.285 nan 8.290 nan 0.000 0.483 66 G N -0.476 108.273 108.800 -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 1.382 176.240 174.900 -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 0.157 122.920 122.820 -0.095 0.000 2.208 67 A HA 0.403 4.723 4.320 0.000 0.000 0.209 67 A C 1.806 179.362 177.584 -0.048 0.000 1.161 67 A CA 0.184 52.172 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 -0.456 120.727 121.223 -0.066 0.000 2.685 68 L HA 0.145 4.486 4.340 0.000 0.000 0.233 68 L C 0.673 177.499 176.870 -0.074 0.000 1.173 68 L CA 0.001 54.771 54.840 -0.117 0.000 0.961 68 L CB 0.594 42.556 42.059 -0.161 0.000 1.217 68 L HN 0.187 nan 8.230 nan 0.000 0.478 69 V N -2.630 117.280 119.914 -0.007 0.000 3.411 69 V HA 0.019 4.140 4.120 0.000 0.000 0.287 69 V C 1.516 177.642 176.094 0.053 0.000 1.543 69 V CA 0.053 62.362 62.300 0.016 0.000 1.028 69 V CB 0.474 32.316 31.823 0.031 0.000 0.840 69 V HN 0.331 nan 8.190 nan 0.000 0.435 70 H N 1.764 120.804 119.070 -0.050 0.000 2.399 70 H HA 0.020 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 1.978 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 -2.344 112.231 114.554 0.035 0.000 3.275 71 T HA 0.484 4.834 4.350 0.000 0.000 0.265 71 T C 0.844 175.494 174.700 -0.083 0.000 0.978 71 T CA -0.029 62.051 62.100 -0.034 0.000 0.923 71 T CB 0.094 68.948 68.868 -0.023 0.000 1.126 71 T HN 0.337 nan 8.240 nan 0.000 0.538 72 A N 0.783 123.556 122.820 -0.079 0.000 2.416 72 A HA 0.267 4.587 4.320 0.000 0.000 0.252 72 A C 1.303 178.843 177.584 -0.072 0.000 1.353 72 A CA -0.245 51.727 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 0.561 nan 8.150 nan 0.000 0.523 73 D N 0.492 120.864 120.400 -0.046 0.000 2.468 73 D HA -0.017 4.623 4.640 0.000 0.000 0.243 73 D C 0.137 176.479 176.300 0.069 0.000 0.994 73 D CA 0.560 54.565 54.000 0.010 0.000 0.932 73 D CB -0.149 40.652 40.800 0.001 0.000 1.078 73 D HN 0.641 nan 8.370 nan 0.000 0.473 74 N N 0.487 119.218 118.700 0.051 0.000 2.400 74 N HA 0.026 4.766 4.740 0.000 0.000 0.288 74 N C 0.106 175.692 175.510 0.126 0.000 1.024 74 N CA -0.425 52.703 53.050 0.131 0.000 0.894 74 N CB 1.413 39.945 38.487 0.075 0.000 1.173 74 N HN -0.077 nan 8.380 nan 0.000 0.487 75 Y N 1.424 121.733 120.300 0.014 0.000 2.224 75 Y HA -0.004 4.546 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 0.975 59.089 58.100 0.024 0.000 1.182 75 Y CB -1.599 36.907 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 1.419 64.565 63.100 0.077 0.000 0.868 76 P CB -0.006 31.728 31.700 0.056 0.000 0.788 77 L N -0.603 120.626 121.223 0.010 0.000 2.027 77 L HA -0.081 4.259 4.340 0.000 0.000 0.206 77 L C 2.518 179.355 176.870 -0.055 0.000 1.074 77 L CA 1.563 56.392 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 0.071 121.229 121.223 -0.108 0.000 1.956 78 L HA -0.247 4.093 4.340 0.000 0.000 0.216 78 L C 2.420 179.157 176.870 -0.221 0.000 1.073 78 L CA 2.252 56.949 54.840 -0.238 0.000 0.762 78 L CB -1.161 40.649 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 -0.137 0.000 2.551 79 L HA -0.191 4.149 4.340 0.000 0.000 0.230 79 L C 1.987 178.878 176.870 0.036 0.000 1.163 79 L CA 0.935 55.767 54.840 -0.012 0.000 0.826 79 L CB -0.853 41.270 42.059 0.106 0.000 0.943 79 L HN 0.369 nan 8.230 nan 0.000 0.452 80 T N -1.301 113.255 114.554 0.003 0.000 3.056 80 T HA -0.018 4.333 4.350 0.000 0.000 0.241 80 T C 1.867 176.606 174.700 0.066 0.000 1.006 80 T CA 0.855 62.971 62.100 0.026 0.000 1.115 80 T CB 0.173 69.028 68.868 -0.021 0.000 0.939 80 T HN 0.244 nan 8.240 nan 0.000 0.462 81 V N 1.427 121.349 119.914 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 1.537 63.848 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 0.787 123.616 122.820 0.016 0.000 1.851 82 A HA -0.189 4.131 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 54.152 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 0.053 120.007 119.950 0.006 0.000 2.161 83 F HA -0.145 4.382 4.527 0.000 0.000 0.300 83 F C 1.798 177.610 175.800 0.020 0.000 1.089 83 F CA 1.577 59.592 58.000 0.024 0.000 1.282 83 F CB -0.422 38.593 39.000 0.026 0.000 1.010 83 F HN 0.170 nan 8.300 nan 0.000 0.485 84 L N 0.009 121.466 121.223 0.390 0.000 1.976 84 L HA -0.223 4.117 4.340 0.000 0.000 0.209 84 L C 2.628 179.559 176.870 0.101 0.000 1.071 84 L CA 1.968 56.968 54.840 0.267 0.000 0.746 84 L CB -1.223 40.936 42.059 0.167 0.000 0.890 84 L HN 0.304 nan 8.230 nan 0.000 0.432 85 C N -1.395 117.936 119.300 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 60.259 59.018 0.009 0.000 1.742 85 C CB -1.168 26.560 27.740 -0.021 0.000 2.017 85 C HN 0.609 nan 8.230 nan 0.000 0.481 86 S N 0.839 116.517 115.700 -0.037 0.000 2.355 86 S HA -0.065 4.405 4.470 0.000 0.000 0.222 86 S C 2.226 176.782 174.600 -0.073 0.000 1.031 86 S CA 1.262 59.427 58.200 -0.058 0.000 0.993 86 S CB -0.529 62.612 63.200 -0.098 0.000 0.859 86 S HN 0.711 nan 8.310 nan 0.000 0.453 87 A N 1.384 124.104 122.820 -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 1.653 53.604 52.037 -0.143 0.000 0.627 87 A CB -1.011 17.887 19.000 -0.171 0.000 0.818 87 A HN 0.335 nan 8.150 nan 0.000 0.445 88 V N 0.100 120.048 119.914 0.056 0.000 2.261 88 V HA -0.284 3.836 4.120 0.000 0.000 0.246 88 V C 2.590 178.774 176.094 0.150 0.000 1.047 88 V CA 2.104 64.466 62.300 0.104 0.000 1.015 88 V CB -0.876 31.001 31.823 0.090 0.000 0.642 88 V HN 0.575 nan 8.190 nan 0.000 0.446 89 L N 0.108 121.395 121.223 0.107 0.000 2.017 89 L HA -0.162 4.178 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 1.620 56.531 54.840 0.118 0.000 0.745 89 L CB -0.875 41.207 42.059 0.037 0.000 0.894 89 L HN 0.364 nan 8.230 nan 0.000 0.432 90 A N -0.311 122.629 122.820 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 0.269 0.000 0.814 90 A HN 0.254 nan 8.150 nan 0.000 0.446 91 M N -1.666 118.109 119.600 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 1.610 57.075 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 1.077 121.168 119.950 0.234 0.000 2.158 92 F HA -0.256 4.271 4.527 0.000 0.000 0.299 92 F C 2.039 177.997 175.800 0.262 0.000 1.060 92 F CA 1.784 59.939 58.000 0.258 0.000 1.284 92 F CB -0.926 38.177 39.000 0.171 0.000 1.035 92 F HN 0.207 nan 8.300 nan 0.000 0.496 93 G N -1.339 107.810 108.800 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 1.312 176.418 174.900 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 0.284 120.731 120.300 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 -0.285 119.770 119.950 0.175 0.000 1.999 95 F HA -0.260 4.267 4.527 0.000 0.000 0.293 95 F C 2.062 177.870 175.800 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 0.720 121.863 121.223 -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 1.384 56.061 54.840 -0.272 0.000 0.772 96 L CB -1.640 40.322 42.059 -0.162 0.000 0.890 96 L HN 0.236 nan 8.230 nan 0.000 0.437 97 V N -0.697 119.221 119.914 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 1.315 63.595 62.300 -0.033 0.000 1.016 97 V CB -0.438 31.345 31.823 -0.066 0.000 0.650 97 V HN 0.378 nan 8.190 nan 0.000 0.449 98 R N 0.220 120.660 120.500 -0.099 0.000 2.096 98 R HA -0.131 4.209 4.340 0.000 0.000 0.235 98 R C 2.206 178.481 176.300 -0.043 0.000 1.127 98 R CA 1.417 57.409 56.100 -0.181 0.000 0.968 98 R CB -0.437 29.716 30.300 -0.244 0.000 0.861 98 R HN 0.386 nan 8.270 nan 0.000 0.440 99 K N -0.250 120.207 120.400 0.095 0.000 2.063 99 K HA -0.022 4.298 4.320 0.000 0.000 0.204 99 K C 1.766 178.351 176.600 -0.026 0.000 1.039 99 K CA 1.205 57.546 56.287 0.088 0.000 0.957 99 K CB -0.238 32.407 32.500 0.242 0.000 0.764 99 K HN 0.014 nan 8.250 nan 0.000 0.447 100 Y N -0.613 119.596 120.300 -0.152 0.000 2.490 100 Y HA 0.406 4.956 4.550 0.000 0.000 0.285 100 Y C -0.012 175.830 175.900 -0.096 0.000 1.117 100 Y CA 0.282 58.307 58.100 -0.124 0.000 1.262 100 Y CB 0.589 38.957 38.460 -0.154 0.000 1.043 100 Y HN 0.129 nan 8.280 nan 0.000 0.553 101 A N 0.055 122.899 122.820 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 -0.135 18.841 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 0.515 177.766 177.300 -0.081 0.000 1.186 102 P CA 0.943 63.978 63.100 -0.108 0.000 0.755 102 P CB 0.387 32.012 31.700 -0.125 0.000 0.870 103 E N 0.384 120.541 120.200 -0.071 0.000 2.140 103 E HA 0.041 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 0.546 56.907 56.400 -0.066 0.000 0.829 103 E CB -0.516 29.133 29.700 -0.085 0.000 0.781 103 E HN 0.231 nan 8.360 nan 0.000 0.466 104 A N 1.769 124.555 122.820 -0.057 0.000 2.346 104 A HA 0.317 4.637 4.320 0.000 0.000 0.242 104 A C 0.902 178.468 177.584 -0.030 0.000 1.323 104 A CA 0.443 52.454 52.037 -0.042 0.000 0.940 104 A CB -0.655 18.325 19.000 -0.033 0.000 0.943 104 A HN 0.085 nan 8.150 nan 0.000 0.501 105 G N -1.614 107.164 108.800 -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 0.363 175.253 174.900 -0.017 0.000 1.145 105 G CA 0.180 45.261 45.100 -0.032 0.000 0.905 105 G HN 1.410 nan 8.290 nan 0.000 0.466 106 G N 0.738 109.528 108.800 -0.016 0.000 2.466 106 G HA2 -0.068 3.892 3.960 0.000 0.000 0.218 106 G HA3 -0.068 3.892 3.960 0.000 0.000 0.218 106 G C 1.162 176.189 174.900 0.212 0.000 1.237 106 G CA 0.738 45.818 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 0.414 4.884 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 3.050 61.441 58.200 0.318 0.000 1.224 107 S CB -0.463 62.943 63.200 0.344 0.000 0.961 107 S HN 2.685 nan 8.310 nan 0.000 0.412 108 G N -0.734 108.064 108.800 -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 2.505 122.924 120.570 -0.251 0.000 2.193 109 I HA 0.073 4.243 4.170 0.000 0.000 0.240 109 I C 0.416 176.324 176.117 -0.349 0.000 1.084 109 I CA 1.573 62.629 61.300 -0.406 0.000 1.365 109 I CB -0.681 36.811 38.000 -0.846 0.000 1.064 109 I HN 0.130 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 1.564 64.596 63.100 -0.112 0.000 0.813 110 P CB 0.090 31.814 31.700 0.039 0.000 0.778 111 E N 0.313 120.460 120.200 -0.088 0.000 2.030 111 E HA -0.074 4.276 4.350 0.000 0.000 0.189 111 E C 2.150 178.696 176.600 -0.089 0.000 0.974 111 E CA 0.640 56.998 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 0.050 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 3.932 4.170 0.000 0.000 0.251 112 I C 2.476 178.513 176.117 -0.134 0.000 1.129 112 I CA 1.291 62.521 61.300 -0.118 0.000 1.402 112 I CB -1.063 36.855 38.000 -0.137 0.000 1.069 112 I HN 0.333 nan 8.210 nan 0.000 0.424 113 E N 0.973 121.080 120.200 -0.155 0.000 2.204 113 E HA -0.148 4.202 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 57.502 56.400 -0.156 0.000 0.824 113 E CB -0.083 29.519 29.700 -0.164 0.000 0.756 113 E HN 0.469 nan 8.360 nan 0.000 0.477 114 G N 0.432 109.185 108.800 -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 0.413 123.198 122.820 -0.058 0.000 2.186 115 A HA 0.122 4.442 4.320 0.000 0.000 0.219 115 A C 2.156 179.700 177.584 -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 -1.186 119.953 121.223 -0.140 0.000 2.558 116 L HA 0.073 4.413 4.340 0.000 0.000 0.225 116 L C 1.695 178.370 176.870 -0.325 0.000 1.128 116 L CA 0.297 54.955 54.840 -0.303 0.000 0.868 116 L CB -0.021 41.861 42.059 -0.295 0.000 1.006 116 L HN 0.301 nan 8.230 nan 0.000 0.454 117 E N -0.726 119.398 120.200 -0.126 0.000 2.489 117 E HA 0.020 4.370 4.350 0.000 0.000 0.204 117 E C -0.566 176.049 176.600 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 1.395 121.815 120.400 0.034 0.000 3.585 118 D HA -0.127 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 0.879 54.920 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 -0.607 119.207 119.800 0.023 0.000 2.776 119 Q HA 0.354 4.694 4.340 0.000 0.000 0.289 119 Q C -0.476 175.527 176.000 0.004 0.000 0.912 119 Q CA -0.863 54.949 55.803 0.014 0.000 0.789 119 Q CB 1.179 29.921 28.738 0.006 0.000 1.498 119 Q HN 0.154 nan 8.270 nan 0.000 0.408 120 R N -0.175 120.326 120.500 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 28.237 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 0.091 63.199 63.100 0.012 0.000 0.800 121 P CB 0.595 32.322 31.700 0.046 0.000 0.894 122 V N 2.724 122.628 119.914 -0.017 0.000 2.398 122 V HA 0.296 4.416 4.120 0.000 0.000 0.286 122 V C 0.989 176.943 176.094 -0.233 0.000 1.026 122 V CA -0.435 61.822 62.300 -0.072 0.000 0.868 122 V CB 0.976 32.816 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 -0.581 0.000 2.664 123 R HA 0.134 4.474 4.340 0.000 0.000 0.281 123 R C 0.509 176.071 176.300 -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 2.226 123.181 121.300 -0.574 0.000 2.321 124 W HA -0.200 4.460 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 58.234 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 -0.911 0.000 2.316 125 W HA -0.174 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 59.071 57.345 -0.456 0.000 1.182 125 W CB -1.174 27.928 29.460 -0.596 0.000 1.134 125 W HN -0.034 nan 8.180 nan 0.000 0.560 126 R N 0.019 120.291 120.500 -0.381 0.000 2.055 126 R HA 0.081 4.421 4.340 0.000 0.000 0.190 126 R C 2.340 178.587 176.300 -0.089 0.000 1.443 126 R CA 0.720 56.735 56.100 -0.143 0.000 1.188 126 R CB -0.832 29.347 30.300 -0.202 0.000 1.068 126 R HN 0.025 nan 8.270 nan 0.000 0.475 127 V N 2.900 122.706 119.914 -0.181 0.000 2.357 127 V HA -0.337 3.783 4.120 0.000 0.000 0.257 127 V C 2.401 178.498 176.094 0.006 0.000 1.082 127 V CA 1.868 64.115 62.300 -0.089 0.000 1.078 127 V CB -0.690 31.051 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 0.431 177.426 176.870 0.208 0.000 1.078 128 L CA 2.436 57.357 54.840 0.134 0.000 0.773 128 L CB -2.116 40.069 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 0.336 0.000 1.145 129 P CA 1.264 64.559 63.100 0.325 0.000 0.795 129 P CB 0.078 31.937 31.700 0.265 0.000 0.775 130 V N 1.024 121.048 119.914 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 2.066 64.443 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 0.181 120.649 120.400 0.114 0.000 2.074 131 K HA -0.187 4.133 4.320 0.000 0.000 0.209 131 K C 1.988 178.680 176.600 0.153 0.000 1.048 131 K CA 1.761 58.094 56.287 0.076 0.000 0.926 131 K CB -0.772 31.715 32.500 -0.020 0.000 0.713 131 K HN 0.470 nan 8.250 nan 0.000 0.444 132 F N -0.783 119.149 119.950 -0.029 0.000 2.026 132 F HA -0.244 4.283 4.527 0.000 0.000 0.296 132 F C 1.587 177.389 175.800 0.003 0.000 1.133 132 F CA 1.299 59.255 58.000 -0.073 0.000 1.188 132 F CB -0.132 38.753 39.000 -0.192 0.000 0.968 132 F HN 0.011 nan 8.300 nan 0.000 0.476 133 F N 0.650 120.784 119.950 0.307 0.000 2.259 133 F HA 0.036 4.564 4.527 0.000 0.000 0.298 133 F C 2.549 178.481 175.800 0.220 0.000 1.088 133 F CA 1.092 59.185 58.000 0.155 0.000 1.358 133 F CB -1.331 37.710 39.000 0.069 0.000 1.040 133 F HN 0.026 nan 8.300 nan 0.000 0.505 134 G N 0.047 109.087 108.800 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 0.564 109.534 108.800 0.284 0.000 2.418 135 G HA2 -0.123 3.837 3.960 0.000 0.000 0.217 135 G HA3 -0.123 3.837 3.960 0.000 0.000 0.217 135 G C 1.746 176.856 174.900 0.350 0.000 1.158 135 G CA 0.915 46.209 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 0.420 0.000 2.189 136 L HA 0.028 4.368 4.340 0.000 0.000 0.214 136 L C 2.554 179.461 176.870 0.060 0.000 1.097 136 L CA 2.005 56.926 54.840 0.135 0.000 0.764 136 L CB -0.719 41.438 42.059 0.164 0.000 0.900 136 L HN 0.179 nan 8.230 nan 0.000 0.436 137 G N -2.074 106.792 108.800 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 1.446 176.405 174.900 0.097 0.000 1.211 137 G CA 0.964 46.100 45.100 0.060 0.000 0.813 137 G HN 0.453 nan 8.290 nan 0.000 0.541 138 T N 0.829 115.469 114.554 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 1.419 63.600 62.100 0.135 0.000 1.151 138 T CB -0.440 68.498 68.868 0.115 0.000 0.862 138 T HN 0.139 nan 8.240 nan 0.000 0.438 139 L N 0.933 122.221 121.223 0.108 0.000 2.072 139 L HA 0.163 4.503 4.340 0.000 0.000 0.205 139 L C 3.226 180.112 176.870 0.027 0.000 1.079 139 L CA 1.288 56.174 54.840 0.077 0.000 0.752 139 L CB -1.148 40.966 42.059 0.093 0.000 0.906 139 L HN 0.475 nan 8.230 nan 0.000 0.436 140 G N -0.302 108.497 108.800 -0.001 0.000 2.498 140 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 140 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 140 G C 1.504 176.397 174.900 -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 -0.273 108.537 108.800 0.017 0.000 2.464 141 G HA2 0.336 4.296 3.960 0.000 0.000 0.217 141 G HA3 0.336 4.296 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 1.419 nan 8.290 nan 0.000 0.539 142 G N -0.568 108.248 108.800 0.027 0.000 2.141 142 G HA2 -0.219 3.741 3.960 0.000 0.000 0.195 142 G HA3 -0.219 3.741 3.960 0.000 0.000 0.195 142 G C 0.283 175.205 174.900 0.037 0.000 1.012 142 G CA 0.072 45.189 45.100 0.028 0.000 0.696 142 G HN 0.376 nan 8.290 nan 0.000 0.508 143 M N 0.059 119.692 119.600 0.054 0.000 2.228 143 M HA 0.344 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 -0.382 54.961 55.300 0.071 0.000 1.161 143 M CB 1.266 33.932 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 4.225 4.120 0.000 0.000 0.262 144 V C -0.055 176.088 176.094 0.081 0.000 1.726 144 V CA 0.444 62.776 62.300 0.053 0.000 1.656 144 V CB -1.857 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 1.349 122.620 121.223 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 0.887 109.744 108.800 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 0.493 175.493 174.900 0.168 0.000 1.189 146 G CA -0.568 44.598 45.100 0.110 0.000 0.881 146 G HN 0.855 nan 8.290 nan 0.000 0.535 147 R N -0.522 120.104 120.500 0.210 0.000 2.388 147 R HA 0.218 4.558 4.340 0.000 0.000 0.247 147 R C 0.651 176.992 176.300 0.067 0.000 0.931 147 R CA 0.095 56.331 56.100 0.226 0.000 1.082 147 R CB 0.294 30.810 30.300 0.360 0.000 1.135 147 R HN 0.432 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 2.072 178.586 176.600 -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 -0.166 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 1.896 46.967 45.100 -0.049 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 2.232 179.273 177.300 -0.432 0.000 1.167 150 P CA 3.304 66.198 63.100 -0.344 0.000 0.914 150 P CB -0.821 30.545 31.700 -0.556 0.000 0.793 151 T N -2.017 112.266 114.554 -0.452 0.000 2.708 151 T HA -0.110 4.240 4.350 0.000 0.000 0.266 151 T C 2.054 176.585 174.700 -0.280 0.000 1.037 151 T CA 1.681 63.548 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 1.974 121.742 119.914 -0.244 0.000 2.287 152 V HA -0.233 3.887 4.120 0.000 0.000 0.248 152 V C 2.931 178.921 176.094 -0.174 0.000 1.053 152 V CA 2.329 64.512 62.300 -0.195 0.000 1.027 152 V CB -0.965 30.751 31.823 -0.178 0.000 0.646 152 V HN 0.583 nan 8.190 nan 0.000 0.447 153 Q N -0.180 119.515 119.800 -0.175 0.000 1.969 153 Q HA -0.146 4.194 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 1.964 57.681 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 0.760 121.222 120.570 -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 -0.148 0.000 1.140 154 I CA 1.204 62.401 61.300 -0.171 0.000 1.404 154 I CB -0.592 37.233 38.000 -0.291 0.000 1.075 154 I HN 0.457 nan 8.210 nan 0.000 0.433 155 G N 0.338 109.038 108.800 -0.167 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 0.698 45.712 45.100 -0.144 0.000 0.789 155 G HN 0.469 nan 8.290 nan 0.000 0.533 156 G N 1.070 109.807 108.800 -0.104 0.000 2.440 156 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 156 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 156 G C 1.746 176.615 174.900 -0.052 0.000 1.154 156 G CA 1.354 46.406 45.100 -0.080 0.000 0.767 156 G HN 0.433 nan 8.290 nan 0.000 0.552 157 N N 0.723 119.401 118.700 -0.036 0.000 2.039 157 N HA -0.070 4.670 4.740 0.000 0.000 0.193 157 N C 2.085 177.578 175.510 -0.030 0.000 1.044 157 N CA 0.835 53.904 53.050 0.030 0.000 0.847 157 N CB -0.328 38.194 38.487 0.059 0.000 1.030 157 N HN 0.134 nan 8.380 nan 0.000 0.422 158 I N 0.850 121.383 120.570 -0.061 0.000 2.623 158 I HA -0.168 4.002 4.170 0.000 0.000 0.261 158 I C 2.030 178.064 176.117 -0.138 0.000 1.204 158 I CA 0.975 62.213 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 2.224 110.957 108.800 -0.111 0.000 2.616 159 G HA2 -0.247 3.713 3.960 0.000 0.000 0.215 159 G HA3 -0.247 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 0.789 45.828 45.100 -0.102 0.000 0.823 159 G HN 0.464 nan 8.290 nan 0.000 0.569 160 R N -0.012 120.427 120.500 -0.102 0.000 2.193 160 R HA 0.138 4.478 4.340 0.000 0.000 0.229 160 R C 2.375 178.416 176.300 -0.431 0.000 1.110 160 R CA 1.392 57.423 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 1.941 121.108 119.600 -0.721 0.000 2.082 161 M HA -0.167 4.313 4.480 0.000 0.000 0.258 161 M C 1.933 177.799 176.300 -0.723 0.000 1.069 161 M CA 2.465 56.871 55.300 -1.490 0.000 1.102 161 M CB -0.035 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 -1.176 118.543 119.914 -0.325 0.000 3.380 162 V HA -0.091 4.029 4.120 0.000 0.000 0.268 162 V C 1.974 178.092 176.094 0.040 0.000 1.168 162 V CA 0.812 63.090 62.300 -0.036 0.000 1.156 162 V CB -1.025 30.805 31.823 0.012 0.000 0.785 162 V HN 0.558 nan 8.190 nan 0.000 0.487 163 L N 1.365 122.543 121.223 -0.075 0.000 2.131 163 L HA 0.126 4.466 4.340 0.000 0.000 0.206 163 L C 1.813 178.705 176.870 0.037 0.000 1.087 163 L CA 2.077 56.918 54.840 0.002 0.000 0.767 163 L CB -0.606 41.448 42.059 -0.008 0.000 0.917 163 L HN 0.276 nan 8.230 nan 0.000 0.441 164 D N -0.744 119.630 120.400 -0.043 0.000 2.213 164 D HA -0.004 4.636 4.640 0.000 0.000 0.205 164 D C 2.274 178.596 176.300 0.038 0.000 0.961 164 D CA 1.082 55.112 54.000 0.050 0.000 0.853 164 D CB 0.044 40.954 40.800 0.183 0.000 0.967 164 D HN 0.332 nan 8.370 nan 0.000 0.496 165 I N -0.471 120.082 120.570 -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 1.001 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 0.783 120.726 119.950 -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 57.381 58.000 0.004 0.000 1.272 166 F CB 0.176 39.182 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 0.138 0.000 2.533 167 R HA -0.212 4.128 4.340 0.000 0.000 0.280 167 R C -1.536 174.822 176.300 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 27.990 30.300 0.066 0.000 2.274 167 R HN 0.347 nan 8.270 nan 0.000 0.522 168 L N 1.721 122.997 121.223 0.087 0.000 2.334 168 L HA 0.581 4.921 4.340 0.000 0.000 0.272 168 L C 0.313 177.210 176.870 0.044 0.000 1.020 168 L CA -1.322 53.556 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 0.363 120.782 120.400 0.031 0.000 2.245 169 K HA 0.870 5.190 4.320 0.000 0.000 0.234 169 K C -0.185 176.418 176.600 0.004 0.000 1.021 169 K CA 0.045 56.343 56.287 0.020 0.000 0.898 169 K CB 1.534 34.044 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 -0.006 0.000 2.707 170 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 170 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 170 G C -0.516 174.346 174.900 -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 -0.185 120.146 120.400 -0.114 0.000 2.249 171 D HA 0.110 4.750 4.640 0.000 0.000 0.205 171 D C 1.942 178.097 176.300 -0.242 0.000 0.962 171 D CA 1.238 55.078 54.000 -0.266 0.000 0.860 171 D CB -0.029 40.572 40.800 -0.333 0.000 0.955 171 D HN 0.587 nan 8.370 nan 0.000 0.505 172 E N 1.744 121.877 120.200 -0.112 0.000 2.012 172 E HA -0.195 4.155 4.350 0.000 0.000 0.211 172 E C 1.911 178.497 176.600 -0.024 0.000 1.029 172 E CA 1.928 58.299 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 0.284 123.095 122.820 -0.014 0.000 2.139 173 A HA -0.230 4.090 4.320 0.000 0.000 0.221 173 A C 2.220 179.811 177.584 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 0.007 0.000 0.796 173 A HN 0.297 nan 8.150 nan 0.000 0.463 174 R N -1.407 119.094 120.500 0.002 0.000 2.048 174 R HA -0.034 4.306 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 1.169 57.293 56.100 0.040 0.000 0.956 174 R CB -0.497 29.817 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 -0.136 4.420 4.556 0.000 0.000 0.298 175 H C 1.867 177.171 175.328 -0.040 0.000 1.103 175 H CA 1.611 57.642 56.048 -0.028 0.000 1.293 175 H CB 0.087 29.827 29.762 -0.036 0.000 1.372 175 H HN 0.304 nan 8.280 nan 0.000 0.501 176 T N 1.454 116.067 114.554 0.098 0.000 2.564 176 T HA -0.124 4.226 4.350 0.000 0.000 0.259 176 T C 2.072 176.776 174.700 0.006 0.000 1.087 176 T CA 0.674 62.793 62.100 0.032 0.000 1.184 176 T CB -0.340 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 0.892 122.116 121.223 0.002 0.000 2.456 177 L HA -0.113 4.227 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 -1.003 41.044 42.059 -0.020 0.000 0.920 177 L HN 0.268 nan 8.230 nan 0.000 0.446 178 L N -0.327 120.887 121.223 -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 1.815 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 -0.716 122.067 122.820 -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 3.267 55.253 52.037 -0.085 0.000 0.638 179 A CB -1.681 17.271 19.000 -0.081 0.000 0.823 179 A HN 0.667 nan 8.150 nan 0.000 0.451 180 T N -2.431 112.087 114.554 -0.060 0.000 2.708 180 T HA -0.010 4.340 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 1.977 64.039 62.100 -0.063 0.000 1.146 180 T CB -1.159 67.679 68.868 -0.050 0.000 0.865 180 T HN 0.587 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 -0.004 3.956 3.960 0.000 0.000 0.220 181 G HA3 -0.004 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 1.074 46.118 45.100 -0.093 0.000 0.755 181 G HN 0.828 nan 8.290 nan 0.000 0.565 182 A N 0.961 123.720 122.820 -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 53.928 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 0.173 122.945 122.820 -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 2.254 179.758 177.584 -0.134 0.000 1.161 184 A CA 2.041 54.012 52.037 -0.111 0.000 0.653 184 A CB -1.289 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 1.597 122.667 121.223 -0.254 0.000 2.089 186 L HA -0.065 4.275 4.340 0.000 0.000 0.213 186 L C 3.048 179.692 176.870 -0.376 0.000 1.079 186 L CA 2.342 56.948 54.840 -0.390 0.000 0.758 186 L CB -0.677 41.188 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 -0.111 4.209 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 1.918 53.847 52.037 -0.180 0.000 0.617 187 A CB -1.217 17.702 19.000 -0.136 0.000 0.827 187 A HN 0.575 nan 8.150 nan 0.000 0.443 188 A N -0.838 121.859 122.820 -0.205 0.000 2.167 188 A HA 0.402 4.722 4.320 0.000 0.000 0.214 188 A C 2.212 179.634 177.584 -0.269 0.000 1.151 188 A CA 1.380 53.293 52.037 -0.205 0.000 0.735 188 A CB -0.611 18.335 19.000 -0.090 0.000 0.802 188 A HN 0.942 nan 8.150 nan 0.000 0.467 189 A N -1.399 121.236 122.820 -0.307 0.000 2.016 189 A HA 0.243 4.563 4.320 0.000 0.000 0.217 189 A C 1.505 179.034 177.584 -0.090 0.000 1.162 189 A CA 0.975 52.840 52.037 -0.287 0.000 0.662 189 A CB -0.364 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 -2.454 117.381 119.950 -0.191 0.000 2.798 190 F HA 0.184 4.711 4.527 0.000 0.000 0.328 190 F C 0.807 176.405 175.800 -0.337 0.000 1.098 190 F CA -0.016 57.864 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 2.144 120.632 118.700 -0.352 0.000 2.740 191 N HA -0.235 4.505 4.740 0.000 0.000 0.248 191 N C -0.709 174.730 175.510 -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 37.304 38.487 -0.483 0.000 0.968 191 N HN 0.332 nan 8.380 nan 0.000 0.547 192 A N 0.223 123.007 122.820 -0.059 0.000 3.064 192 A HA 0.478 4.798 4.320 0.000 0.000 0.339 192 A C -0.893 176.665 177.584 -0.044 0.000 1.078 192 A CA -0.722 51.309 52.037 -0.010 0.000 0.869 192 A CB 0.843 19.894 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 1.524 178.745 177.300 -0.131 0.000 1.157 193 P CA 1.108 64.147 63.100 -0.103 0.000 0.874 193 P CB 0.164 31.812 31.700 -0.086 0.000 0.790 194 L N -0.884 120.283 121.223 -0.093 0.000 2.083 194 L HA -0.119 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 1.610 56.397 54.840 -0.089 0.000 0.752 194 L CB -1.109 40.927 42.059 -0.038 0.000 0.899 194 L HN -0.022 nan 8.230 nan 0.000 0.433 195 A N 0.213 123.023 122.820 -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 1.332 53.386 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 0.466 109.250 108.800 -0.028 0.000 2.459 196 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 196 G HA3 -0.223 3.737 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 1.248 46.325 45.100 -0.038 0.000 0.776 196 G HN 0.466 nan 8.290 nan 0.000 0.552 197 I N 0.445 120.959 120.570 -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 -0.036 121.192 121.223 0.008 0.000 2.456 198 L HA -0.258 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 1.086 55.964 54.840 0.062 0.000 0.796 198 L CB -0.553 41.546 42.059 0.066 0.000 0.920 198 L HN 0.291 nan 8.230 nan 0.000 0.446 199 F N 0.693 120.619 119.950 -0.041 0.000 2.149 199 F HA -0.075 4.452 4.527 0.000 0.000 0.294 199 F C 2.093 177.858 175.800 -0.060 0.000 1.095 199 F CA 0.899 58.876 58.000 -0.038 0.000 1.276 199 F CB -0.017 38.942 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 -0.161 0.000 1.298 200 I CA 1.087 62.259 61.300 -0.214 0.000 1.297 200 I CB -2.007 35.919 38.000 -0.123 0.000 1.017 200 I HN 0.395 nan 8.210 nan 0.000 0.528 201 I N -3.111 117.390 120.570 -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 61.249 61.300 -0.081 0.000 1.027 201 I CB 0.271 38.250 38.000 -0.035 0.000 1.567 201 I HN 0.025 nan 8.210 nan 0.000 0.616 202 E N 0.700 120.856 120.200 -0.073 0.000 2.617 202 E HA 0.050 4.400 4.350 0.000 0.000 0.208 202 E C 0.910 177.472 176.600 -0.063 0.000 0.888 202 E CA 0.311 56.691 56.400 -0.033 0.000 1.485 202 E CB 0.866 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 4.531 4.350 0.000 0.000 0.237 203 E C 1.553 177.945 176.600 -0.346 0.000 1.117 203 E CA 0.387 56.645 56.400 -0.237 0.000 0.969 203 E CB -0.203 29.311 29.700 -0.311 0.000 2.998 203 E HN -0.031 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 0.923 177.050 176.300 -0.290 0.000 0.972 204 M CA 2.163 57.162 55.300 -0.501 0.000 1.017 204 M CB -2.365 29.893 32.600 -0.568 0.000 1.295 204 M HN 0.378 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 -2.391 173.819 176.300 -0.151 0.000 0.977 205 R CA -0.419 55.562 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 0.353 63.423 63.100 -0.050 0.000 0.762 206 P CB 0.794 32.457 31.700 -0.062 0.000 0.799 207 Q N 1.381 121.167 119.800 -0.023 0.000 2.282 207 Q HA 0.139 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 56.206 55.803 -0.249 0.000 0.944 207 Q CB 0.044 28.515 28.738 -0.444 0.000 1.100 207 Q HN 0.520 nan 8.270 nan 0.000 0.509 208 F N 0.879 120.831 119.950 0.004 0.000 2.654 208 F HA 0.259 4.786 4.527 0.000 0.000 0.303 208 F C 0.276 176.099 175.800 0.037 0.000 1.099 208 F CA -0.343 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 -1.800 118.803 120.500 0.170 0.000 2.633 209 R HA 0.208 4.548 4.340 0.000 0.000 0.255 209 R C -1.224 175.172 176.300 0.161 0.000 1.106 209 R CA -0.995 55.202 56.100 0.163 0.000 0.959 209 R CB 0.176 30.573 30.300 0.163 0.000 1.259 209 R HN -0.049 nan 8.270 nan 0.000 0.453 210 Y N 2.413 122.739 120.300 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 0.580 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 6.049 120.320 114.554 -0.471 0.000 2.922 211 T HA 0.503 4.853 4.350 0.000 0.000 0.281 211 T C -0.126 174.313 174.700 -0.434 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 0.191 121.354 121.223 -0.099 0.000 3.366 212 L HA 0.449 4.789 4.340 0.000 0.000 0.304 212 L C -0.351 176.507 176.870 -0.019 0.000 1.292 212 L CA 0.112 54.912 54.840 -0.067 0.000 1.012 212 L CB -0.366 41.695 42.059 0.003 0.000 1.414 212 L HN 0.470 nan 8.230 nan 0.000 0.603 213 I N -0.477 120.065 120.570 -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 -0.080 61.208 61.300 -0.020 0.000 1.351 213 I CB 1.470 39.444 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 4.811 4.470 0.000 0.000 0.313 214 S C 1.310 175.928 174.600 0.030 0.000 1.067 214 S CA -0.588 57.616 58.200 0.008 0.000 1.099 214 S CB 0.056 63.263 63.200 0.012 0.000 0.991 214 S HN 0.545 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 2.627 178.850 176.117 0.176 0.000 1.026 215 I CA 1.685 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 0.709 121.155 120.400 0.078 0.000 2.228 216 K HA -0.243 4.077 4.320 0.000 0.000 0.205 216 K C 1.967 178.626 176.600 0.098 0.000 1.045 216 K CA 1.542 57.854 56.287 0.041 0.000 0.931 216 K CB -0.068 32.406 32.500 -0.044 0.000 0.727 216 K HN 0.428 nan 8.250 nan 0.000 0.458 217 A N 0.188 123.051 122.820 0.072 0.000 1.930 217 A HA -0.044 4.276 4.320 0.000 0.000 0.215 217 A C 2.149 179.767 177.584 0.057 0.000 1.176 217 A CA 1.123 53.188 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 -0.999 118.959 119.914 0.075 0.000 2.261 218 V HA -0.250 3.870 4.120 0.000 0.000 0.246 218 V C 2.236 178.357 176.094 0.045 0.000 1.047 218 V CA 2.111 64.432 62.300 0.034 0.000 1.015 218 V CB -1.085 30.751 31.823 0.021 0.000 0.642 218 V HN 0.517 nan 8.190 nan 0.000 0.446 219 F N 0.216 120.148 119.950 -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 2.350 60.334 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 2.622 178.742 176.117 0.005 0.000 1.102 220 I CA 1.449 62.793 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 0.297 nan 8.210 nan 0.000 0.420 221 G N 0.764 109.557 108.800 -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 1.529 121.395 119.914 -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 1.971 64.207 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 2.608 178.724 176.117 -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 0.272 119.864 119.600 -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 -0.358 115.331 115.700 -0.018 0.000 2.345 225 S HA -0.114 4.356 4.470 0.000 0.000 0.220 225 S C 1.946 176.567 174.600 0.034 0.000 1.031 225 S CA 1.935 60.127 58.200 -0.013 0.000 0.996 225 S CB -0.176 62.992 63.200 -0.052 0.000 0.882 225 S HN 0.502 nan 8.310 nan 0.000 0.445 226 T N 2.611 117.179 114.554 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 -0.377 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 0.627 121.249 120.570 0.087 0.000 2.286 227 I HA -0.167 4.003 4.170 0.000 0.000 0.248 227 I C 2.466 178.661 176.117 0.130 0.000 1.115 227 I CA 0.898 62.252 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 -0.134 119.549 119.600 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 1.917 57.340 55.300 0.205 0.000 1.116 228 M CB -1.453 31.221 32.600 0.123 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 2.438 178.429 175.900 0.151 0.000 1.155 229 Y CA 1.830 59.994 58.100 0.106 0.000 1.164 229 Y CB -0.143 38.348 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 -0.125 4.215 4.340 0.000 0.000 0.231 230 R C 2.164 178.476 176.300 0.021 0.000 1.119 230 R CA 1.228 57.360 56.100 0.053 0.000 0.970 230 R CB -0.770 29.594 30.300 0.106 0.000 0.864 230 R HN 0.410 nan 8.270 nan 0.000 0.440 231 I N 0.239 120.848 120.570 0.065 0.000 2.194 231 I HA -0.269 3.901 4.170 0.000 0.000 0.246 231 I C 1.950 177.923 176.117 -0.241 0.000 1.093 231 I CA 1.643 62.902 61.300 -0.068 0.000 1.355 231 I CB -0.813 37.163 38.000 -0.039 0.000 1.046 231 I HN -0.013 nan 8.210 nan 0.000 0.413 232 F N 0.502 120.389 119.950 -0.105 0.000 2.298 232 F HA 0.123 4.650 4.527 0.000 0.000 0.282 232 F C 1.354 177.064 175.800 -0.149 0.000 1.045 232 F CA 0.186 58.119 58.000 -0.112 0.000 1.280 232 F CB -0.717 38.224 39.000 -0.098 0.000 1.114 232 F HN -0.015 nan 8.300 nan 0.000 0.546 233 N N 1.250 119.875 118.700 -0.125 0.000 3.050 233 N HA -0.033 4.707 4.740 0.000 0.000 0.289 233 N C -0.607 174.802 175.510 -0.169 0.000 1.209 233 N CA 0.068 52.971 53.050 -0.246 0.000 1.154 233 N CB -0.795 37.329 38.487 -0.606 0.000 1.444 233 N HN 0.265 nan 8.380 nan 0.000 0.529 234 H N 1.525 120.515 119.070 -0.133 0.000 2.815 234 H HA -0.022 4.534 4.556 0.000 0.000 0.350 234 H C 0.282 175.574 175.328 -0.059 0.000 1.080 234 H CA 0.461 56.455 56.048 -0.090 0.000 1.433 234 H CB 0.565 30.281 29.762 -0.077 0.000 1.432 234 H HN 0.333 nan 8.280 nan 0.000 0.592 235 E N 1.723 121.581 120.200 -0.571 0.000 2.246 235 E HA -0.137 4.213 4.350 0.000 0.000 0.173 235 E C -1.730 174.766 176.600 -0.174 0.000 1.532 235 E CA 0.944 57.094 56.400 -0.416 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 0.156 120.012 119.914 -0.096 0.000 3.049 236 V HA 0.943 5.063 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 2.346 125.166 122.820 0.000 0.000 2.408 237 A HA 0.757 5.077 4.320 0.000 0.000 0.295 237 A C 0.175 177.714 177.584 -0.075 0.000 1.040 237 A CA -0.508 51.513 52.037 -0.025 0.000 0.707 237 A CB 1.347 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 1.856 122.995 121.223 -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 -0.400 41.347 42.059 -0.520 0.000 0.901 238 L HN 0.595 nan 8.230 nan 0.000 0.433 239 I N -0.631 119.735 120.570 -0.339 0.000 2.509 239 I HA 0.287 4.457 4.170 0.000 0.000 0.293 239 I C -0.978 175.046 176.117 -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 6.261 126.596 120.400 -0.108 0.000 2.476 240 D HA 0.419 5.059 4.640 0.000 0.000 0.251 240 D C -1.409 174.853 176.300 -0.065 0.000 1.291 240 D CA -0.135 53.817 54.000 -0.080 0.000 0.939 240 D CB 1.991 42.752 40.800 -0.065 0.000 1.221 240 D HN 0.177 nan 8.370 nan 0.000 0.567 241 V N 2.199 122.075 119.914 -0.063 0.000 2.715 241 V HA 0.700 4.820 4.120 0.000 0.000 0.310 241 V C 1.520 177.586 176.094 -0.047 0.000 1.054 241 V CA -0.636 61.633 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 0.513 nan 8.190 nan 0.000 0.437 242 G N 2.823 111.600 108.800 -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 0.169 45.248 45.100 -0.035 0.000 1.041 242 G HN 0.818 nan 8.290 nan 0.000 0.507 243 K N -0.699 119.683 120.400 -0.030 0.000 2.221 243 K HA 0.697 5.017 4.320 0.000 0.000 0.258 243 K C -1.017 175.566 176.600 -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 34.307 32.500 -0.025 0.000 1.113 243 K HN 0.181 nan 8.250 nan 0.000 0.431 244 L N 0.626 121.828 121.223 -0.035 0.000 2.347 244 L HA 0.502 4.842 4.340 0.000 0.000 0.268 244 L C 0.324 177.178 176.870 -0.027 0.000 1.019 244 L CA -0.662 54.162 54.840 -0.026 0.000 0.806 244 L CB 1.146 43.188 42.059 -0.028 0.000 1.339 244 L HN 0.790 nan 8.230 nan 0.000 0.463 245 S N -0.466 115.227 115.700 -0.012 0.000 2.592 245 S HA 0.049 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 0.035 63.248 63.200 0.021 0.000 0.919 245 S HN 0.485 nan 8.310 nan 0.000 0.576 246 D N 0.181 120.558 120.400 -0.038 0.000 2.432 246 D HA 0.518 5.158 4.640 0.000 0.000 0.258 246 D C -0.456 175.793 176.300 -0.085 0.000 1.146 246 D CA -0.327 53.632 54.000 -0.068 0.000 1.015 246 D CB 1.017 41.786 40.800 -0.051 0.000 1.107 246 D HN 0.521 nan 8.370 nan 0.000 0.529 247 A N 1.637 124.375 122.820 -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 0.391 19.188 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 0.804 32.472 31.700 -0.054 0.000 0.923 249 L N 2.073 123.263 121.223 -0.056 0.000 2.013 249 L HA -0.222 4.119 4.340 0.000 0.000 0.212 249 L C 1.926 178.791 176.870 -0.008 0.000 1.073 249 L CA 2.709 57.531 54.840 -0.029 0.000 0.753 249 L CB -2.138 39.918 42.059 -0.005 0.000 0.890 249 L HN 0.587 nan 8.230 nan 0.000 0.432 250 N N -1.718 116.962 118.700 -0.032 0.000 2.680 250 N HA -0.122 4.618 4.740 0.000 0.000 0.197 250 N C 0.967 176.326 175.510 -0.253 0.000 1.288 250 N CA 1.020 54.052 53.050 -0.029 0.000 0.924 250 N CB -0.206 38.273 38.487 -0.013 0.000 1.025 250 N HN 0.178 nan 8.380 nan 0.000 0.447 251 T N -0.773 113.637 114.554 -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 -0.261 0.000 1.141 251 T HN 0.070 nan 8.240 nan 0.000 0.494 252 L N 1.867 123.091 121.223 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 2.265 57.168 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 0.380 121.718 121.300 0.064 0.000 2.305 253 W HA -0.262 4.398 4.660 0.000 0.000 0.308 253 W C 1.978 178.545 176.519 0.079 0.000 1.226 253 W CA 0.981 58.364 57.345 0.063 0.000 1.253 253 W CB -1.520 27.968 29.460 0.047 0.000 1.146 253 W HN 0.181 nan 8.180 nan 0.000 0.507 254 L N 0.088 120.837 121.223 -0.790 0.000 2.089 254 L HA -0.299 4.041 4.340 0.000 0.000 0.213 254 L C 2.684 179.395 176.870 -0.265 0.000 1.079 254 L CA 2.026 56.456 54.840 -0.684 0.000 0.758 254 L CB -0.968 40.618 42.059 -0.788 0.000 0.891 254 L HN -0.070 nan 8.230 nan 0.000 0.433 255 Y N -1.533 118.694 120.300 -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 0.406 58.401 58.100 -0.175 0.000 1.283 255 Y CB -0.160 38.144 38.460 -0.260 0.000 1.001 255 Y HN 0.101 nan 8.280 nan 0.000 0.555 256 L N -0.241 121.020 121.223 0.064 0.000 2.023 256 L HA -0.143 4.197 4.340 0.000 0.000 0.205 256 L C 2.090 178.983 176.870 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 36.622 38.000 0.263 0.000 1.022 257 I HN 0.373 nan 8.210 nan 0.000 0.408 258 L N 1.408 122.345 121.223 -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 -0.658 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 -0.329 108.420 108.800 -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 1.630 176.567 174.900 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 0.633 121.230 120.570 0.046 0.000 2.127 260 I HA -0.181 3.989 4.170 0.000 0.000 0.241 260 I C 2.704 178.867 176.117 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 -0.078 120.529 120.570 0.062 0.000 2.163 261 I HA -0.324 3.846 4.170 0.000 0.000 0.243 261 I C 2.392 178.512 176.117 0.006 0.000 1.085 261 I CA 1.709 63.025 61.300 0.028 0.000 1.347 261 I CB -0.457 37.530 38.000 -0.020 0.000 1.044 261 I HN 0.090 nan 8.210 nan 0.000 0.408 262 F N 1.172 121.101 119.950 -0.035 0.000 2.269 262 F HA -0.102 4.425 4.527 0.000 0.000 0.301 262 F C 2.432 178.258 175.800 0.042 0.000 1.082 262 F CA 1.438 59.437 58.000 -0.002 0.000 1.360 262 F CB -0.801 38.158 39.000 -0.068 0.000 1.041 262 F HN 0.013 nan 8.300 nan 0.000 0.512 263 G N 0.831 109.731 108.800 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 0.058 0.000 1.202 263 G CA 1.021 46.168 45.100 0.079 0.000 0.788 263 G HN 0.498 nan 8.290 nan 0.000 0.539 264 I N -2.464 118.146 120.570 0.066 0.000 2.286 264 I HA 0.014 4.184 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 1.441 62.770 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 2.599 122.502 119.950 -0.078 0.000 2.206 265 F HA 0.164 4.691 4.527 0.000 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 38.223 39.000 -0.172 0.000 1.028 265 F HN 0.099 nan 8.300 nan 0.000 0.492 266 G N 1.920 110.747 108.800 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 -0.517 174.306 174.900 -0.129 0.000 1.189 266 G CA 1.252 46.361 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 1.265 64.269 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 -1.129 119.158 120.570 -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 -1.162 0.000 1.057 268 I CA 1.793 62.637 61.300 -0.761 0.000 1.314 268 I CB -0.895 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 2.041 121.189 119.950 -1.337 0.000 2.091 269 F HA -0.286 4.241 4.527 0.000 0.000 0.299 269 F C 2.223 177.752 175.800 -0.451 0.000 1.103 269 F CA 2.145 59.544 58.000 -1.002 0.000 1.228 269 F CB -0.721 37.891 39.000 -0.648 0.000 0.984 269 F HN 0.116 nan 8.300 nan 0.000 0.477 270 N N 0.222 118.764 118.700 -0.263 0.000 2.036 270 N HA -0.261 4.479 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 1.751 54.704 53.050 -0.161 0.000 0.855 270 N CB -0.264 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 0.160 120.429 120.400 -0.220 0.000 2.059 271 K HA -0.192 4.128 4.320 0.000 0.000 0.212 271 K C 1.868 178.496 176.600 0.046 0.000 1.050 271 K CA 1.466 57.702 56.287 -0.086 0.000 0.927 271 K CB -0.168 32.284 32.500 -0.081 0.000 0.714 271 K HN 0.333 nan 8.250 nan 0.000 0.447 272 W N 0.314 121.470 121.300 -0.239 0.000 2.381 272 W HA -0.127 4.533 4.660 0.000 0.000 0.321 272 W C 2.261 178.620 176.519 -0.266 0.000 1.196 272 W CA 0.148 57.341 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 1.080 120.874 119.914 -0.200 0.000 2.324 273 V HA -0.287 3.833 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 2.300 64.531 62.300 -0.115 0.000 1.042 273 V CB -0.794 30.910 31.823 -0.197 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 0.257 4.597 4.340 0.000 0.000 0.204 274 L C 2.322 179.209 176.870 0.027 0.000 1.076 274 L CA 2.389 57.254 54.840 0.042 0.000 0.753 274 L CB -1.337 40.742 42.059 0.034 0.000 0.910 274 L HN 0.355 nan 8.230 nan 0.000 0.439 275 G N -1.392 107.427 108.800 0.033 0.000 2.920 275 G HA2 -0.117 3.843 3.960 0.000 0.000 0.208 275 G HA3 -0.117 3.843 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 0.455 45.574 45.100 0.031 0.000 0.784 275 G HN 0.392 nan 8.290 nan 0.000 0.535 276 M N 0.570 120.174 119.600 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 -1.388 118.397 119.800 -0.026 0.000 2.365 277 Q HA 0.029 4.369 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 0.296 56.070 55.803 -0.048 0.000 0.948 277 Q CB 0.235 28.934 28.738 -0.064 0.000 1.043 277 Q HN 0.404 nan 8.270 nan 0.000 0.505 278 D N 1.368 121.753 120.400 -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 0.223 nan 8.370 nan 0.000 0.471 279 L N 1.356 122.559 121.223 -0.033 0.000 2.821 279 L HA -0.004 4.337 4.340 0.000 0.000 0.254 279 L C 1.226 178.032 176.870 -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 0.739 56.754 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 0.177 120.625 120.500 -0.087 0.000 4.031 282 R HA 0.186 4.526 4.340 0.000 0.000 0.269 282 R C -0.221 175.991 176.300 -0.147 0.000 1.668 282 R CA 0.128 56.173 56.100 -0.091 0.000 1.432 282 R CB 0.540 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 -1.545 118.229 119.914 -0.234 0.000 3.523 283 V HA -0.008 4.113 4.120 0.000 0.000 0.273 283 V C 0.818 176.816 176.094 -0.160 0.000 1.675 283 V CA 0.052 62.215 62.300 -0.228 0.000 1.079 283 V CB 0.112 31.753 31.823 -0.303 0.000 0.901 283 V HN 0.645 nan 8.190 nan 0.000 0.406 284 H N -1.948 117.021 119.070 -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 0.818 30.529 29.762 -0.085 0.000 1.563 284 H HN 0.263 nan 8.280 nan 0.000 0.699 285 G N 1.413 110.271 108.800 0.098 0.000 2.271 285 G HA2 -0.294 3.666 3.960 0.000 0.000 0.283 285 G HA3 -0.294 3.666 3.960 0.000 0.000 0.283 285 G C 1.303 176.092 174.900 -0.184 0.000 1.002 285 G CA 1.474 46.484 45.100 -0.149 0.000 0.701 285 G HN 1.468 nan 8.290 nan 0.000 0.528 286 G N -1.294 107.440 108.800 -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 45.767 45.100 0.076 0.000 0.663 286 G HN 1.179 nan 8.290 nan 0.000 0.493 287 N N 1.328 120.086 118.700 0.098 0.000 2.417 287 N HA 0.108 4.848 4.740 0.000 0.000 0.272 287 N C 1.576 177.165 175.510 0.131 0.000 1.304 287 N CA 0.014 53.123 53.050 0.098 0.000 0.906 287 N CB 0.227 38.773 38.487 0.098 0.000 1.135 287 N HN 0.163 nan 8.380 nan 0.000 0.483 288 I N 3.311 123.916 120.570 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 1.101 62.418 61.300 0.028 0.000 1.426 288 I CB -0.340 37.667 38.000 0.013 0.000 1.081 288 I HN 0.539 nan 8.210 nan 0.000 0.502 289 T N -1.684 112.910 114.554 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 0.693 121.166 120.400 0.121 0.000 2.160 290 K HA -0.151 4.169 4.320 0.000 0.000 0.206 290 K C 1.966 178.697 176.600 0.219 0.000 1.047 290 K CA 1.270 57.635 56.287 0.129 0.000 0.930 290 K CB -0.062 32.511 32.500 0.122 0.000 0.720 290 K HN 0.373 nan 8.250 nan 0.000 0.450 291 W N 1.403 122.768 121.300 0.108 0.000 2.381 291 W HA -0.158 4.502 4.660 0.000 0.000 0.321 291 W C 1.737 178.272 176.519 0.027 0.000 1.196 291 W CA 0.970 58.437 57.345 0.203 0.000 1.304 291 W CB -0.708 28.804 29.460 0.087 0.000 1.166 291 W HN -0.235 nan 8.180 nan 0.000 0.473 292 V N 1.805 121.934 119.914 0.358 0.000 2.546 292 V HA -0.318 3.802 4.120 0.000 0.000 0.254 292 V C 2.352 178.442 176.094 -0.005 0.000 1.076 292 V CA 1.771 64.161 62.300 0.150 0.000 1.087 292 V CB -0.980 30.880 31.823 0.062 0.000 0.674 292 V HN 0.166 nan 8.190 nan 0.000 0.470 293 L N -1.515 119.716 121.223 0.014 0.000 2.127 293 L HA -0.063 4.277 4.340 0.000 0.000 0.203 293 L C 2.407 179.235 176.870 -0.070 0.000 1.080 293 L CA 1.384 56.213 54.840 -0.019 0.000 0.768 293 L CB -0.446 41.617 42.059 0.008 0.000 0.924 293 L HN 0.296 nan 8.230 nan 0.000 0.444 294 M N 0.086 119.637 119.600 -0.080 0.000 2.159 294 M HA -0.140 4.340 4.480 0.000 0.000 0.263 294 M C 2.058 178.201 176.300 -0.262 0.000 1.063 294 M CA 2.109 57.323 55.300 -0.143 0.000 1.110 294 M CB -0.372 32.120 32.600 -0.179 0.000 1.374 294 M HN 0.279 nan 8.290 nan 0.000 0.411 295 G N -0.653 107.815 108.800 -0.554 0.000 2.453 295 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 295 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 295 G C 1.403 176.027 174.900 -0.461 0.000 1.201 295 G CA 0.778 45.152 45.100 -1.210 0.000 0.784 295 G HN 0.596 nan 8.290 nan 0.000 0.545 296 G N 1.025 109.655 108.800 -0.283 0.000 2.532 296 G HA2 -0.004 3.956 3.960 0.000 0.000 0.222 296 G HA3 -0.004 3.956 3.960 0.000 0.000 0.222 296 G C 1.887 176.707 174.900 -0.133 0.000 1.102 296 G CA 1.696 46.736 45.100 -0.099 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 1.543 53.558 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 -1.883 118.651 120.570 -0.059 0.000 2.361 298 I HA -0.048 4.122 4.170 0.000 0.000 0.251 298 I C 2.247 178.347 176.117 -0.030 0.000 1.133 298 I CA 1.552 62.842 61.300 -0.016 0.000 1.413 298 I CB -1.149 36.873 38.000 0.036 0.000 1.073 298 I HN 0.212 nan 8.210 nan 0.000 0.424 299 G N 1.409 110.195 108.800 -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 -0.587 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 0.949 121.967 121.223 -0.343 0.000 2.103 301 L HA -0.182 4.158 4.340 0.000 0.000 0.215 301 L C 2.640 179.513 176.870 0.005 0.000 1.080 301 L CA 1.691 56.518 54.840 -0.023 0.000 0.764 301 L CB -0.971 41.111 42.059 0.037 0.000 0.890 301 L HN 0.291 nan 8.230 nan 0.000 0.435 302 C N -0.351 118.931 119.300 -0.030 0.000 2.453 302 C HA 0.015 4.475 4.460 0.000 0.000 0.277 302 C C 2.801 177.804 174.990 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 25.833 27.740 0.019 0.000 2.031 302 C HN 0.754 nan 8.230 nan 0.000 0.480 303 G N 0.338 109.128 108.800 -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 1.046 46.157 45.100 0.018 0.000 0.760 303 G HN 0.466 nan 8.290 nan 0.000 0.557 304 L N 0.290 121.581 121.223 0.113 0.000 2.023 304 L HA 0.184 4.524 4.340 0.000 0.000 0.205 304 L C 2.682 179.668 176.870 0.192 0.000 1.073 304 L CA 1.301 56.259 54.840 0.196 0.000 0.745 304 L CB -0.467 41.741 42.059 0.248 0.000 0.900 304 L HN 0.193 nan 8.230 nan 0.000 0.435 305 L N -0.519 120.788 121.223 0.140 0.000 2.191 305 L HA -0.112 4.228 4.340 0.000 0.000 0.212 305 L C 2.431 179.368 176.870 0.112 0.000 1.103 305 L CA 0.987 55.898 54.840 0.118 0.000 0.769 305 L CB -1.274 40.835 42.059 0.084 0.000 0.908 305 L HN 0.480 nan 8.230 nan 0.000 0.438 306 G N -0.728 108.144 108.800 0.120 0.000 2.470 306 G HA2 -0.300 3.660 3.960 0.000 0.000 0.220 306 G HA3 -0.300 3.660 3.960 0.000 0.000 0.220 306 G C 1.364 176.368 174.900 0.174 0.000 1.121 306 G CA 0.468 45.639 45.100 0.119 0.000 0.766 306 G HN 0.345 nan 8.290 nan 0.000 0.553 307 F N 0.691 120.670 119.950 0.048 0.000 2.553 307 F HA 0.274 4.801 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 -0.047 119.901 119.914 0.057 0.000 2.275 308 V HA 0.810 4.930 4.120 0.000 0.000 0.272 308 V C 0.046 176.168 176.094 0.048 0.000 1.028 308 V CA -0.963 61.336 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 5.111 127.943 122.820 0.020 0.000 2.451 309 A HA -0.018 4.302 4.320 0.000 0.000 0.273 309 A C -1.729 175.888 177.584 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 1.223 64.344 63.100 0.035 0.000 0.777 310 P CB 0.191 31.914 31.700 0.037 0.000 0.814 311 A N -0.037 122.791 122.820 0.014 0.000 2.076 311 A HA -0.172 4.148 4.320 0.000 0.000 0.220 311 A C 2.096 179.616 177.584 -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 -4.010 110.473 114.554 -0.119 0.000 3.051 312 T HA 0.199 4.549 4.350 0.000 0.000 0.255 312 T C 1.211 175.876 174.700 -0.058 0.000 1.085 312 T CA 0.909 62.921 62.100 -0.147 0.000 1.109 312 T CB -0.126 68.648 68.868 -0.157 0.000 0.921 312 T HN 0.336 nan 8.240 nan 0.000 0.488 313 S N -0.232 115.458 115.700 -0.016 0.000 2.618 313 S HA 0.659 5.129 4.470 0.000 0.000 0.284 313 S C 0.560 175.162 174.600 0.004 0.000 1.102 313 S CA 0.285 58.489 58.200 0.007 0.000 0.984 313 S CB 0.683 63.901 63.200 0.030 0.000 1.280 313 S HN 1.505 nan 8.310 nan 0.000 0.525 314 G N -0.567 108.240 108.800 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 -0.041 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 0.451 4.411 3.960 0.000 0.000 0.208 315 G HA3 0.451 4.411 3.960 0.000 0.000 0.208 315 G C 1.869 176.569 174.900 -0.334 0.000 1.148 315 G CA 1.702 46.694 45.100 -0.180 0.000 0.795 315 G HN 2.679 nan 8.290 nan 0.000 0.526 316 G N 0.475 109.149 108.800 -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 0.998 175.846 174.900 -0.087 0.000 1.741 316 G CA 0.537 45.526 45.100 -0.186 0.000 1.151 316 G HN 0.850 nan 8.290 nan 0.000 0.561 317 F N 2.805 122.748 119.950 -0.011 0.000 2.481 317 F HA 0.079 4.606 4.527 0.000 0.000 0.297 317 F C 1.722 177.522 175.800 -0.001 0.000 1.095 317 F CA 1.083 59.070 58.000 -0.022 0.000 1.465 317 F CB -1.286 37.673 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 4.577 4.740 0.000 0.000 0.196 318 N C 1.133 176.761 175.510 0.195 0.000 1.129 318 N CA 1.319 54.557 53.050 0.313 0.000 0.938 318 N CB -0.010 38.565 38.487 0.145 0.000 0.966 318 N HN 0.466 nan 8.380 nan 0.000 0.450 319 L N -2.176 119.153 121.223 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 54.978 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 1.843 122.496 120.570 0.139 0.000 2.052 320 I HA -0.187 3.983 4.170 0.000 0.000 0.235 320 I C -0.434 175.751 176.117 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 -0.153 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 1.432 64.562 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 -0.897 119.678 120.570 0.009 0.000 2.900 322 I HA 0.109 4.279 4.170 0.000 0.000 0.251 322 I C 2.386 178.464 176.117 -0.064 0.000 1.102 322 I CA 0.833 62.116 61.300 -0.028 0.000 1.457 322 I CB -1.818 36.164 38.000 -0.030 0.000 1.285 322 I HN -0.226 nan 8.210 nan 0.000 0.459 323 A N 0.486 123.257 122.820 -0.082 0.000 2.186 323 A HA -0.180 4.140 4.320 0.000 0.000 0.219 323 A C 2.285 179.639 177.584 -0.385 0.000 1.159 323 A CA 2.422 54.325 52.037 -0.224 0.000 0.680 323 A CB -1.198 17.681 19.000 -0.203 0.000 0.787 323 A HN 0.596 nan 8.150 nan 0.000 0.467 324 T N -4.791 109.675 114.554 -0.146 0.000 3.038 324 T HA 0.395 4.745 4.350 0.000 0.000 0.244 324 T C 1.650 176.353 174.700 0.006 0.000 1.016 324 T CA 0.860 62.944 62.100 -0.026 0.000 1.098 324 T CB -0.386 68.615 68.868 0.222 0.000 0.954 324 T HN 0.560 nan 8.240 nan 0.000 0.469 325 A N 0.744 123.564 122.820 0.000 0.000 2.253 325 A HA 0.557 4.877 4.320 0.000 0.000 0.203 325 A C 1.813 179.393 177.584 -0.008 0.000 1.272 325 A CA 0.956 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 -0.216 108.560 108.800 -0.039 0.000 2.570 326 G HA2 0.257 4.217 3.960 0.000 0.000 0.213 326 G HA3 0.257 4.217 3.960 0.000 0.000 0.213 326 G C -0.023 174.841 174.900 -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 -0.671 117.948 118.700 -0.136 0.000 2.785 327 N HA 0.414 5.154 4.740 0.000 0.000 0.224 327 N C -1.698 173.736 175.510 -0.125 0.000 1.448 327 N CA -0.540 52.443 53.050 -0.113 0.000 0.748 327 N CB -0.023 38.402 38.487 -0.103 0.000 1.385 327 N HN 0.014 nan 8.380 nan 0.000 0.538 328 F N 0.887 120.848 119.950 0.019 0.000 2.522 328 F HA 0.634 5.161 4.527 0.000 0.000 0.324 328 F C 0.898 176.712 175.800 0.022 0.000 1.077 328 F CA -1.279 56.736 58.000 0.025 0.000 0.944 328 F CB 2.011 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 2.780 118.647 115.700 0.278 0.000 2.562 329 S HA 0.092 4.562 4.470 0.000 0.000 0.281 329 S C 1.294 175.950 174.600 0.094 0.000 1.333 329 S CA -0.667 57.614 58.200 0.134 0.000 1.052 329 S CB 0.672 63.930 63.200 0.096 0.000 0.884 329 S HN 0.791 nan 8.310 nan 0.000 0.506 330 M N 4.164 123.796 119.600 0.054 0.000 2.113 330 M HA -0.079 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 57.891 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 -0.470 108.346 108.800 0.028 0.000 2.459 331 G HA2 -0.286 3.675 3.960 0.000 0.000 0.217 331 G HA3 -0.286 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 0.595 120.215 119.600 0.033 0.000 2.108 332 M HA -0.034 4.446 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 31.873 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 -0.080 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 1.626 56.427 54.840 -0.065 0.000 0.758 333 L CB -1.099 40.960 42.059 -0.001 0.000 0.889 333 L HN 0.173 nan 8.230 nan 0.000 0.433 334 V N -0.116 119.833 119.914 0.058 0.000 2.278 334 V HA -0.390 3.730 4.120 0.000 0.000 0.251 334 V C 2.149 178.360 176.094 0.195 0.000 1.062 334 V CA 2.414 64.793 62.300 0.132 0.000 1.038 334 V CB -0.719 31.169 31.823 0.108 0.000 0.646 334 V HN 0.412 nan 8.190 nan 0.000 0.447 335 F N 0.574 120.524 119.950 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 2.269 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 -0.103 120.193 120.570 -0.456 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 1.747 62.734 61.300 -0.521 0.000 1.340 336 I CB -0.798 36.988 38.000 -0.356 0.000 1.036 336 I HN 0.308 nan 8.210 nan 0.000 0.417 337 F N 1.613 121.445 119.950 -0.198 0.000 2.046 337 F HA -0.219 4.308 4.527 0.000 0.000 0.297 337 F C 2.412 178.169 175.800 -0.070 0.000 1.123 337 F CA 1.890 59.817 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 0.826 120.648 119.914 -0.153 0.000 2.255 338 V HA -0.311 3.809 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 1.949 64.141 62.300 -0.181 0.000 1.018 338 V CB -1.860 29.971 31.823 0.014 0.000 0.641 338 V HN 0.514 nan 8.190 nan 0.000 0.445 339 A N 0.478 123.186 122.820 -0.186 0.000 1.884 339 A HA -0.308 4.012 4.320 0.000 0.000 0.219 339 A C 2.375 179.865 177.584 -0.157 0.000 1.197 339 A CA 2.506 54.415 52.037 -0.213 0.000 0.637 339 A CB -0.585 18.055 19.000 -0.600 0.000 0.827 339 A HN 0.580 nan 8.150 nan 0.000 0.450 340 R N -0.917 119.474 120.500 -0.181 0.000 2.090 340 R HA -0.015 4.325 4.340 0.000 0.000 0.228 340 R C 1.994 178.268 176.300 -0.044 0.000 1.110 340 R CA 1.152 57.194 56.100 -0.097 0.000 0.973 340 R CB -0.701 29.551 30.300 -0.080 0.000 0.869 340 R HN 0.388 nan 8.270 nan 0.000 0.440 341 V N 1.983 121.826 119.914 -0.119 0.000 2.317 341 V HA -0.296 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 1.880 64.187 62.300 0.012 0.000 1.049 341 V CB -0.458 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 0.426 121.009 120.570 0.022 0.000 2.186 342 I HA -0.203 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 1.880 63.192 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 -1.220 113.354 114.554 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 2.431 64.562 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 0.336 nan 8.240 nan 0.000 0.471 344 T N 2.362 116.983 114.554 0.112 0.000 2.643 344 T HA 0.092 4.442 4.350 0.000 0.000 0.264 344 T C 1.977 176.817 174.700 0.234 0.000 1.045 344 T CA 1.521 63.722 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 0.295 121.655 121.223 0.228 0.000 1.955 345 L HA -0.119 4.221 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 1.038 56.001 54.840 0.205 0.000 0.755 345 L CB -0.807 41.314 42.059 0.103 0.000 0.888 345 L HN 0.176 nan 8.230 nan 0.000 0.432 346 L N -0.271 121.022 121.223 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 -0.570 41.528 42.059 0.065 0.000 0.893 346 L HN 0.403 nan 8.230 nan 0.000 0.438 347 C N -2.329 117.082 119.300 0.184 0.000 2.486 347 C HA -0.059 4.401 4.460 0.000 0.000 0.279 347 C C 2.458 177.609 174.990 0.268 0.000 1.302 347 C CA 0.219 59.372 59.018 0.225 0.000 1.720 347 C CB -1.076 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 2.362 122.390 119.950 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 1.956 60.037 58.000 0.134 0.000 1.212 348 F CB -0.822 38.267 39.000 0.150 0.000 0.998 348 F HN 0.049 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 1.522 59.671 58.200 -0.084 0.000 1.014 349 S CB -0.943 62.269 63.200 0.020 0.000 0.836 349 S HN 0.670 nan 8.310 nan 0.000 0.466 350 S N 1.128 116.861 115.700 0.056 0.000 2.359 350 S HA -0.006 4.464 4.470 0.000 0.000 0.223 350 S C 1.665 176.430 174.600 0.276 0.000 1.039 350 S CA 1.591 59.881 58.200 0.149 0.000 1.042 350 S CB -0.818 62.598 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 0.188 0.000 2.148 351 G HA2 0.265 4.225 3.960 0.000 0.000 0.120 351 G HA3 0.265 4.225 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 0.187 0.000 0.710 351 G HN 1.151 nan 8.290 nan 0.000 0.495 352 A N 0.904 123.635 122.820 -0.148 0.000 2.322 352 A HA 0.812 5.132 4.320 0.000 0.000 0.269 352 A C -1.628 175.895 177.584 -0.102 0.000 1.094 352 A CA -1.223 50.570 52.037 -0.406 0.000 0.807 352 A CB 0.461 19.080 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 0.519 32.250 31.700 0.053 0.000 0.799 354 G N 1.641 110.528 108.800 0.145 0.000 2.521 354 G HA2 0.367 4.327 3.960 0.000 0.000 0.589 354 G HA3 0.367 4.327 3.960 0.000 0.000 0.589 354 G C -0.513 174.544 174.900 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 -0.655 108.269 108.800 0.206 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 -2.442 118.020 120.570 -0.181 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 2.854 122.795 119.950 -0.016 0.000 2.031 357 F HA -0.118 4.409 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 1.934 59.958 58.000 0.039 0.000 1.188 357 F CB -0.506 38.581 39.000 0.144 0.000 0.974 357 F HN 0.195 nan 8.300 nan 0.000 0.473 358 A N 1.322 124.255 122.820 0.188 0.000 1.841 358 A HA -0.174 4.146 4.320 0.000 0.000 0.216 358 A C -0.217 177.285 177.584 -0.136 0.000 1.199 358 A CA 2.177 54.204 52.037 -0.016 0.000 0.621 358 A CB -2.488 16.504 19.000 -0.013 0.000 0.835 358 A HN 0.394 nan 8.150 nan 0.000 0.445 359 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 1.398 64.445 63.100 -0.089 0.000 0.788 359 P CB -0.229 31.452 31.700 -0.031 0.000 0.767 360 M N -1.681 117.841 119.600 -0.130 0.000 2.558 360 M HA 0.032 4.512 4.480 0.000 0.000 0.255 360 M C 2.070 178.272 176.300 -0.163 0.000 1.113 360 M CA 0.737 55.934 55.300 -0.171 0.000 1.097 360 M CB -0.263 32.214 32.600 -0.205 0.000 1.426 360 M HN -0.068 nan 8.290 nan 0.000 0.488 361 L N -0.604 120.506 121.223 -0.189 0.000 2.068 361 L HA -0.054 4.286 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 0.935 55.665 54.840 -0.183 0.000 0.753 361 L CB -0.724 41.206 42.059 -0.215 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 -0.229 4.091 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 1.711 53.744 52.037 -0.006 0.000 0.621 362 A CB -1.020 17.969 19.000 -0.019 0.000 0.835 362 A HN 0.326 nan 8.150 nan 0.000 0.445 363 L N -0.630 120.618 121.223 0.042 0.000 2.021 363 L HA -0.250 4.090 4.340 0.000 0.000 0.215 363 L C 2.847 179.787 176.870 0.116 0.000 1.074 363 L CA 1.443 56.373 54.840 0.149 0.000 0.760 363 L CB -1.026 41.108 42.059 0.125 0.000 0.889 363 L HN 0.549 nan 8.230 nan 0.000 0.433 364 G N -0.987 107.874 108.800 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 1.544 176.513 174.900 0.116 0.000 1.168 364 G CA 1.334 46.559 45.100 0.209 0.000 0.771 364 G HN 0.340 nan 8.290 nan 0.000 0.551 365 T N 0.899 115.468 114.554 0.026 0.000 2.720 365 T HA -0.121 4.230 4.350 0.000 0.000 0.268 365 T C 2.535 177.261 174.700 0.043 0.000 1.037 365 T CA 1.316 63.429 62.100 0.021 0.000 1.144 365 T CB -0.296 68.582 68.868 0.016 0.000 0.864 365 T HN 0.077 nan 8.240 nan 0.000 0.444 366 V N 1.417 121.351 119.914 0.035 0.000 2.358 366 V HA -0.082 4.038 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 1.232 63.536 62.300 0.007 0.000 1.035 366 V CB -0.679 31.169 31.823 0.041 0.000 0.658 366 V HN 0.315 nan 8.190 nan 0.000 0.452 367 L N 1.424 122.486 121.223 -0.268 0.000 2.093 367 L HA 0.049 4.389 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 2.317 56.881 54.840 -0.459 0.000 0.755 367 L CB -1.274 40.289 42.059 -0.827 0.000 0.904 367 L HN 0.252 nan 8.230 nan 0.000 0.435 368 G N -1.780 107.087 108.800 0.112 0.000 2.402 368 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 368 G HA3 -0.222 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 1.108 46.323 45.100 0.191 0.000 0.777 368 G HN 0.423 nan 8.290 nan 0.000 0.539 369 T N 1.909 116.528 114.554 0.109 0.000 2.652 369 T HA -0.057 4.293 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 1.775 63.936 62.100 0.102 0.000 1.153 369 T CB -0.585 68.337 68.868 0.091 0.000 0.863 369 T HN 0.376 nan 8.240 nan 0.000 0.428 370 A N 1.172 123.997 122.820 0.008 0.000 1.903 370 A HA -0.164 4.156 4.320 0.000 0.000 0.219 370 A C 2.046 179.593 177.584 -0.063 0.000 1.191 370 A CA 1.988 54.000 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 0.860 120.716 119.950 -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 1.805 59.672 58.000 -0.222 0.000 1.214 371 F CB -0.789 38.119 39.000 -0.152 0.000 0.978 371 F HN 0.226 nan 8.300 nan 0.000 0.474 372 G N 0.699 109.356 108.800 -0.238 0.000 2.514 372 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 372 G HA3 -0.313 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 1.200 45.943 45.100 -0.596 0.000 0.780 372 G HN 0.286 nan 8.290 nan 0.000 0.565 373 M N 0.173 119.662 119.600 -0.185 0.000 2.240 373 M HA -0.207 4.273 4.480 0.000 0.000 0.250 373 M C 2.686 178.872 176.300 -0.191 0.000 1.075 373 M CA 1.470 56.691 55.300 -0.131 0.000 1.072 373 M CB -1.396 31.154 32.600 -0.082 0.000 1.305 373 M HN 0.172 nan 8.290 nan 0.000 0.414 374 V N -0.081 119.661 119.914 -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 1.948 64.065 62.300 -0.305 0.000 1.006 374 V CB -1.475 30.116 31.823 -0.385 0.000 0.641 374 V HN 0.569 nan 8.190 nan 0.000 0.446 375 A N -0.051 122.459 122.820 -0.516 0.000 1.986 375 A HA -0.191 4.129 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 2.194 54.027 52.037 -0.340 0.000 0.640 375 A CB -0.802 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 2.429 178.516 176.094 -0.012 0.000 1.053 376 V CA 2.380 64.659 62.300 -0.036 0.000 1.027 376 V CB -0.962 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 -0.222 119.938 120.200 -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 0.386 56.735 56.400 -0.086 0.000 0.868 377 E CB -0.078 29.569 29.700 -0.088 0.000 0.885 377 E HN 0.540 nan 8.360 nan 0.000 0.505 378 L N -0.271 120.835 121.223 -0.195 0.000 2.354 378 L HA 0.163 4.503 4.340 0.000 0.000 0.212 378 L C 0.269 176.696 176.870 -0.739 0.000 1.091 378 L CA 0.357 54.900 54.840 -0.495 0.000 0.828 378 L CB 0.198 41.844 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 -2.272 55.526 58.000 -0.336 0.000 1.184 379 F CB 0.113 38.761 39.000 -0.586 0.000 1.426 379 F HN -0.163 nan 8.300 nan 0.000 0.559 380 P HA -0.150 nan 4.420 nan 0.000 0.242 380 P C 0.616 177.795 177.300 -0.201 0.000 1.197 380 P CA 0.945 63.986 63.100 -0.099 0.000 0.765 380 P CB 0.206 31.848 31.700 -0.097 0.000 0.936 381 Q N -1.701 117.993 119.800 -0.177 0.000 2.432 381 Q HA -0.046 4.294 4.340 0.000 0.000 0.205 381 Q C 1.400 177.414 176.000 0.023 0.000 0.945 381 Q CA 0.713 56.426 55.803 -0.149 0.000 0.924 381 Q CB -0.619 28.038 28.738 -0.135 0.000 1.016 381 Q HN 0.386 nan 8.270 nan 0.000 0.503 382 Y N -0.380 119.896 120.300 -0.039 0.000 2.481 382 Y HA 0.099 4.649 4.550 0.000 0.000 0.258 382 Y C -0.196 175.755 175.900 0.086 0.000 1.103 382 Y CA -0.712 57.411 58.100 0.039 0.000 1.287 382 Y CB 0.595 39.105 38.460 0.083 0.000 1.108 382 Y HN 0.212 nan 8.280 nan 0.000 0.529 383 H N 0.771 119.983 119.070 0.237 0.000 2.702 383 H HA -0.130 4.426 4.556 0.000 0.000 0.328 383 H C -0.599 174.819 175.328 0.150 0.000 1.111 383 H CA 0.475 56.612 56.048 0.149 0.000 1.109 383 H CB -1.771 28.058 29.762 0.112 0.000 1.606 383 H HN 0.323 nan 8.280 nan 0.000 0.399 384 L N 0.787 122.160 121.223 0.249 0.000 2.344 384 L HA 0.404 4.744 4.340 0.000 0.000 0.272 384 L C 0.897 177.878 176.870 0.185 0.000 1.035 384 L CA -0.379 54.601 54.840 0.234 0.000 0.807 384 L CB 1.812 44.031 42.059 0.267 0.000 1.237 384 L HN 0.333 nan 8.230 nan 0.000 0.442 385 E N 0.647 120.967 120.200 0.200 0.000 2.165 385 E HA 0.384 4.734 4.350 0.000 0.000 0.266 385 E C 0.257 176.993 176.600 0.227 0.000 0.889 385 E CA -0.398 56.095 56.400 0.154 0.000 0.756 385 E CB 1.962 31.727 29.700 0.108 0.000 1.131 385 E HN 0.708 nan 8.360 nan 0.000 0.411 386 A N 4.182 127.103 122.820 0.167 0.000 1.917 386 A HA -0.192 4.128 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 2.085 54.239 52.037 0.195 0.000 0.633 386 A CB -1.200 17.849 19.000 0.082 0.000 0.819 386 A HN 0.872 nan 8.150 nan 0.000 0.448 387 G N -0.042 108.851 108.800 0.155 0.000 2.649 387 G HA2 -0.427 3.533 3.960 0.000 0.000 0.220 387 G HA3 -0.427 3.533 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 48.160 45.100 0.104 0.000 0.777 387 G HN 0.915 nan 8.290 nan 0.000 0.602 388 T N -1.049 113.558 114.554 0.089 0.000 2.721 388 T HA -0.191 4.159 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 1.720 63.807 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 1.824 121.866 119.950 0.153 0.000 2.407 389 F HA 0.396 4.923 4.527 0.000 0.000 0.299 389 F C 2.801 178.632 175.800 0.051 0.000 1.097 389 F CA 0.299 58.373 58.000 0.124 0.000 1.422 389 F CB -0.613 38.435 39.000 0.081 0.000 1.067 389 F HN 0.299 nan 8.300 nan 0.000 0.539 390 A N 0.133 123.065 122.820 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 1.331 53.421 52.037 0.088 0.000 0.614 390 A CB -0.793 18.250 19.000 0.071 0.000 0.826 390 A HN 0.208 nan 8.150 nan 0.000 0.442 391 I N 0.391 120.944 120.570 -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 1.129 62.371 61.300 -0.096 0.000 1.404 391 I CB -0.623 37.311 38.000 -0.111 0.000 1.071 391 I HN 0.305 nan 8.210 nan 0.000 0.419 392 A N 0.308 123.049 122.820 -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 -1.454 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 -1.406 107.248 108.800 -0.243 0.000 3.327 393 G HA2 0.250 4.210 3.960 0.000 0.000 0.240 393 G HA3 0.250 4.210 3.960 0.000 0.000 0.240 393 G C 1.064 175.713 174.900 -0.418 0.000 1.222 393 G CA 0.486 45.277 45.100 -0.515 0.000 0.871 393 G HN 0.493 nan 8.290 nan 0.000 0.525 394 M N 0.280 119.716 119.600 -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 1.831 57.003 55.300 -0.212 0.000 1.133 394 M CB 0.191 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 4.341 3.960 0.000 0.000 0.258 395 G HA3 0.381 4.341 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 0.298 122.801 122.820 -0.530 0.000 2.014 396 A HA 0.142 4.463 4.320 0.000 0.000 0.218 396 A C 2.110 179.489 177.584 -0.343 0.000 1.163 396 A CA 0.621 52.230 52.037 -0.713 0.000 0.652 396 A CB -0.147 17.854 19.000 -1.665 0.000 0.808 396 A HN 0.383 nan 8.150 nan 0.000 0.449 397 L N -0.189 120.961 121.223 -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 -0.007 0.000 1.075 397 L CA 1.509 56.448 54.840 0.164 0.000 0.747 397 L CB -0.980 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 0.061 121.219 121.223 -0.108 0.000 2.013 398 L HA -0.247 4.093 4.340 0.000 0.000 0.212 398 L C 2.802 179.654 176.870 -0.030 0.000 1.073 398 L CA 1.514 56.301 54.840 -0.087 0.000 0.753 398 L CB -0.905 41.070 42.059 -0.139 0.000 0.890 398 L HN 0.303 nan 8.230 nan 0.000 0.432 399 A N -0.276 122.510 122.820 -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 1.963 53.977 52.037 -0.038 0.000 0.631 399 A CB -0.529 18.418 19.000 -0.088 0.000 0.814 399 A HN 0.459 nan 8.150 nan 0.000 0.446 400 A N -1.931 120.906 122.820 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 1.540 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 0.488 nan 8.150 nan 0.000 0.463 401 S N 0.188 115.910 115.700 0.037 0.000 2.357 401 S HA 0.021 4.491 4.470 0.000 0.000 0.209 401 S C 1.795 176.393 174.600 -0.003 0.000 1.023 401 S CA 0.889 59.109 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 0.655 nan 8.310 nan 0.000 0.529 402 I N -0.721 119.822 120.570 -0.046 0.000 3.564 402 I HA 0.329 4.499 4.170 0.000 0.000 0.294 402 I C -0.012 176.123 176.117 0.031 0.000 1.289 402 I CA 0.048 61.299 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 1.551 122.068 120.500 0.029 0.000 3.158 403 R HA -0.165 4.175 4.340 0.000 0.000 0.244 403 R C -0.081 176.254 176.300 0.059 0.000 0.900 403 R CA 0.514 56.633 56.100 0.032 0.000 0.618 403 R CB -1.766 28.545 30.300 0.018 0.000 1.061 403 R HN 0.674 nan 8.270 nan 0.000 0.471 404 A N 0.012 122.887 122.820 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 -1.277 50.838 52.037 0.130 0.000 0.882 404 A CB 0.850 20.010 19.000 0.268 0.000 1.136 404 A HN 0.054 nan 8.150 nan 0.000 0.488 405 P HA -0.224 nan 4.420 nan 0.000 0.214 405 P C 1.769 179.075 177.300 0.009 0.000 1.169 405 P CA 0.921 64.021 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 2.119 179.020 176.870 0.053 0.000 1.074 406 L CA 2.273 57.131 54.840 0.029 0.000 0.760 406 L CB -1.581 40.501 42.059 0.037 0.000 0.889 406 L HN -0.004 nan 8.230 nan 0.000 0.433 407 T N -0.919 113.700 114.554 0.108 0.000 2.833 407 T HA -0.093 4.257 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 1.094 63.283 62.100 0.148 0.000 1.135 407 T CB -0.751 68.297 68.868 0.300 0.000 0.869 407 T HN 0.619 nan 8.240 nan 0.000 0.466 408 G N 2.103 110.936 108.800 0.056 0.000 2.434 408 G HA2 -0.122 3.838 3.960 0.000 0.000 0.214 408 G HA3 -0.122 3.838 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 0.441 45.520 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 -0.171 3.999 4.170 0.000 0.000 0.239 409 I C 2.798 178.880 176.117 -0.059 0.000 1.061 409 I CA 1.161 62.411 61.300 -0.085 0.000 1.317 409 I CB -1.208 36.746 38.000 -0.076 0.000 1.031 409 I HN 0.062 nan 8.210 nan 0.000 0.401 410 I N 0.232 120.790 120.570 -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 -0.723 37.287 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 2.429 179.250 176.870 -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 41.483 42.059 0.027 0.000 0.893 411 L HN 0.049 nan 8.230 nan 0.000 0.432 412 V N -0.455 119.388 119.914 -0.118 0.000 2.216 412 V HA -0.296 3.824 4.120 0.000 0.000 0.242 412 V C 2.501 178.528 176.094 -0.111 0.000 1.042 412 V CA 1.833 64.045 62.300 -0.147 0.000 0.991 412 V CB -0.849 30.877 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 56.983 54.840 -0.050 0.000 0.772 413 L CB -0.859 41.195 42.059 -0.009 0.000 0.890 413 L HN 0.406 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 1.761 178.328 176.600 -0.055 0.000 0.992 414 E CA 2.005 58.384 56.400 -0.034 0.000 0.804 414 E CB -0.194 29.494 29.700 -0.020 0.000 0.741 414 E HN 0.814 nan 8.360 nan 0.000 0.458 415 M N -2.508 117.038 119.600 -0.090 0.000 2.596 415 M HA 0.338 4.818 4.480 0.000 0.000 0.364 415 M C 1.004 177.227 176.300 -0.128 0.000 1.158 415 M CA 0.027 55.255 55.300 -0.119 0.000 0.940 415 M CB 1.299 33.793 32.600 -0.178 0.000 1.388 415 M HN -0.268 nan 8.290 nan 0.000 0.522 416 T N -0.631 113.861 114.554 -0.103 0.000 3.010 416 T HA 0.059 4.409 4.350 0.000 0.000 0.252 416 T C 0.191 174.849 174.700 -0.071 0.000 0.963 416 T CA 0.577 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 0.597 nan 8.240 nan 0.000 0.495 417 D N 1.839 122.206 120.400 -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 54.403 54.000 -0.028 0.000 0.677 417 D CB -1.645 39.138 40.800 -0.030 0.000 1.049 417 D HN 0.401 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 0.273 175.755 175.510 -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 1.706 121.952 120.300 -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 38.627 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 1.332 177.165 176.000 -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 1.701 178.295 176.870 -0.461 0.000 1.153 421 L CA -0.471 54.129 54.840 -0.399 0.000 0.933 421 L CB -0.002 41.846 42.059 -0.351 0.000 1.175 421 L HN 0.121 nan 8.230 nan 0.000 0.473 422 I N 0.259 120.485 120.570 -0.574 0.000 2.335 422 I HA -0.286 3.884 4.170 0.000 0.000 0.251 422 I C 2.046 177.902 176.117 -0.436 0.000 1.129 422 I CA 1.511 62.460 61.300 -0.586 0.000 1.402 422 I CB 0.058 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 1.055 122.022 121.223 -0.427 0.000 2.007 423 L HA 0.018 4.358 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 2.091 56.734 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 1.986 178.983 177.300 -0.504 0.000 1.148 424 P CA 1.576 64.210 63.100 -0.777 0.000 0.822 424 P CB -0.096 30.605 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 2.028 178.188 176.300 -0.234 0.000 1.065 425 M CA 1.853 56.969 55.300 -0.305 0.000 1.114 425 M CB -0.888 31.546 32.600 -0.277 0.000 1.361 425 M HN -0.022 nan 8.290 nan 0.000 0.408 426 I N 0.233 120.675 120.570 -0.214 0.000 2.235 426 I HA -0.223 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 0.999 62.208 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 0.780 121.270 120.570 -0.132 0.000 2.229 427 I HA -0.360 3.810 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 1.679 62.931 61.300 -0.078 0.000 1.358 427 I CB -0.654 37.305 38.000 -0.068 0.000 1.047 427 I HN 0.342 nan 8.210 nan 0.000 0.422 428 T N 0.153 114.648 114.554 -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 1.324 63.356 62.100 -0.112 0.000 1.177 428 T CB -0.896 67.872 68.868 -0.167 0.000 0.876 428 T HN 0.521 nan 8.240 nan 0.000 0.405 429 G N 1.218 109.913 108.800 -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 1.527 176.366 174.900 -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 0.858 122.030 121.223 -0.084 0.000 2.068 430 L HA 0.278 4.618 4.340 0.000 0.000 0.204 430 L C 2.842 179.677 176.870 -0.058 0.000 1.076 430 L CA 1.991 56.794 54.840 -0.061 0.000 0.753 430 L CB -0.763 41.269 42.059 -0.046 0.000 0.910 430 L HN 0.130 nan 8.230 nan 0.000 0.439 431 G N -1.313 107.460 108.800 -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 2.288 179.847 177.584 -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 -0.403 114.101 114.554 -0.084 0.000 3.037 433 T HA 0.229 4.579 4.350 0.000 0.000 0.251 433 T C 1.629 176.199 174.700 -0.217 0.000 1.079 433 T CA 0.226 62.261 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 0.296 nan 8.240 nan 0.000 0.496 434 L N 0.665 121.724 121.223 -0.273 0.000 2.013 434 L HA 0.115 4.455 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 41.271 42.059 -0.384 0.000 0.901 434 L HN 0.163 nan 8.230 nan 0.000 0.440 435 L N 0.448 121.468 121.223 -0.338 0.000 2.551 435 L HA -0.146 4.194 4.340 0.000 0.000 0.230 435 L C 2.125 178.916 176.870 -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 0.002 0.000 0.943 435 L HN 0.284 nan 8.230 nan 0.000 0.452 436 A N -1.668 121.043 122.820 -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 0.083 52.058 52.037 -0.103 0.000 0.875 436 A CB 0.140 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 -1.402 118.252 119.800 -0.242 0.000 2.548 437 Q HA 0.112 4.452 4.340 0.000 0.000 0.230 437 Q C 0.434 176.458 176.000 0.040 0.000 0.899 437 Q CA 0.315 56.030 55.803 -0.146 0.000 0.936 437 Q CB 0.148 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 0.044 4.571 4.527 0.000 0.000 0.298 438 F C 1.665 177.479 175.800 0.022 0.000 1.175 438 F CA 1.173 59.188 58.000 0.025 0.000 1.462 438 F CB -0.539 38.477 39.000 0.027 0.000 1.111 438 F HN 0.165 nan 8.300 nan 0.000 0.592 439 T N -3.984 110.652 114.554 0.137 0.000 3.091 439 T HA 0.436 4.786 4.350 0.000 0.000 0.277 439 T C 1.110 175.840 174.700 0.049 0.000 0.996 439 T CA 0.082 62.231 62.100 0.080 0.000 0.897 439 T CB 0.025 68.917 68.868 0.041 0.000 1.109 439 T HN 0.344 nan 8.240 nan 0.000 0.534 440 G N 0.691 109.527 108.800 0.061 0.000 2.342 440 G HA2 0.206 4.166 3.960 0.000 0.000 0.267 440 G HA3 0.206 4.166 3.960 0.000 0.000 0.267 440 G C 0.251 175.161 174.900 0.017 0.000 0.922 440 G CA -0.195 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 0.135 108.939 108.800 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 -0.469 174.439 174.900 0.013 0.000 1.336 441 G CA -0.920 44.177 45.100 -0.006 0.000 1.056 441 G HN 0.593 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 4.654 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 0.943 178.300 177.300 0.096 0.000 1.269 443 P CA -0.006 63.140 63.100 0.076 0.000 1.122 443 P CB 0.099 31.857 31.700 0.097 0.000 1.285 444 L N 3.369 124.626 121.223 0.056 0.000 2.151 444 L HA -0.271 4.069 4.340 0.000 0.000 0.219 444 L C 1.282 178.262 176.870 0.182 0.000 1.083 444 L CA 2.299 57.183 54.840 0.072 0.000 0.782 444 L CB -0.976 41.084 42.059 0.001 0.000 0.891 444 L HN 0.445 nan 8.230 nan 0.000 0.439 445 Y N -1.184 119.192 120.300 0.127 0.000 2.373 445 Y HA -0.169 4.381 4.550 0.000 0.000 0.293 445 Y C 2.680 178.633 175.900 0.088 0.000 1.129 445 Y CA 0.659 58.829 58.100 0.117 0.000 1.226 445 Y CB 0.220 38.743 38.460 0.106 0.000 1.000 445 Y HN 0.262 nan 8.280 nan 0.000 0.549 446 S N -0.256 115.586 115.700 0.237 0.000 2.371 446 S HA -0.058 4.412 4.470 0.000 0.000 0.219 446 S C 2.264 176.943 174.600 0.130 0.000 1.040 446 S CA 0.645 58.939 58.200 0.158 0.000 0.958 446 S CB -0.433 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 1.468 124.363 122.820 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 1.373 53.468 52.037 0.097 0.000 0.655 447 A CB -0.849 18.203 19.000 0.086 0.000 0.812 447 A HN 0.538 nan 8.150 nan 0.000 0.462 448 I N -1.553 119.101 120.570 0.140 0.000 2.716 448 I HA -0.113 4.057 4.170 0.000 0.000 0.259 448 I C 2.270 178.443 176.117 0.093 0.000 1.172 448 I CA 0.525 61.906 61.300 0.135 0.000 1.478 448 I CB -0.106 38.025 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 2.629 179.522 176.870 0.037 0.000 1.075 449 L CA 1.972 56.843 54.840 0.051 0.000 0.747 449 L CB -0.826 41.260 42.059 0.045 0.000 0.903 449 L HN 0.157 nan 8.230 nan 0.000 0.435 450 A N 0.072 122.918 122.820 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 2.276 54.328 52.037 0.026 0.000 0.650 450 A CB -0.712 18.307 19.000 0.031 0.000 0.836 450 A HN 0.471 nan 8.150 nan 0.000 0.454 451 R N -1.167 119.351 120.500 0.030 0.000 2.103 451 R HA -0.148 4.192 4.340 0.000 0.000 0.234 451 R C 2.214 178.523 176.300 0.014 0.000 1.132 451 R CA 1.904 58.017 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 0.560 nan 8.270 nan 0.000 0.430 452 T N 0.785 115.350 114.554 0.017 0.000 3.320 452 T HA -0.010 4.340 4.350 0.000 0.000 0.262 452 T C 1.297 176.001 174.700 0.006 0.000 1.187 452 T CA 0.402 62.508 62.100 0.009 0.000 1.038 452 T CB -0.117 68.758 68.868 0.011 0.000 0.939 452 T HN 0.034 nan 8.240 nan 0.000 0.550 453 L N -0.488 120.740 121.223 0.007 0.000 2.641 453 L HA 0.605 4.945 4.340 0.000 0.000 0.207 453 L C 2.359 179.230 176.870 0.002 0.000 1.049 453 L CA 0.920 55.762 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 1.575 53.614 52.037 0.003 0.000 0.646 454 A CB -0.424 18.578 19.000 0.004 0.000 0.806 454 A HN 0.321 nan 8.150 nan 0.000 0.448 455 K N -0.948 119.457 120.400 0.007 0.000 2.437 455 K HA 0.065 4.385 4.320 0.000 0.000 0.198 455 K C 1.554 178.161 176.600 0.010 0.000 1.024 455 K CA 0.462 56.755 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 0.305 120.110 119.800 0.008 0.000 2.391 456 Q HA 0.029 4.369 4.340 0.000 0.000 0.243 456 Q C 1.426 177.430 176.000 0.007 0.000 0.874 456 Q CA 0.673 56.480 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 -0.455 119.748 120.200 0.006 0.000 2.051 457 E HA 0.003 4.353 4.350 0.000 0.000 0.189 457 E C 0.617 177.222 176.600 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 0.935 123.760 122.820 0.010 0.000 2.324 458 A HA 0.006 4.326 4.320 0.000 0.000 0.240 458 A C 1.067 178.660 177.584 0.015 0.000 1.347 458 A CA 0.294 52.338 52.037 0.012 0.000 1.036 458 A CB -0.319 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 -0.839 119.369 120.200 0.014 0.000 2.789 459 E HA 0.109 4.459 4.350 0.000 0.000 0.217 459 E C 0.006 176.614 176.600 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 0.652 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 4.697 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 29.883 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