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 1fp3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKERETLQA WKERVGQELD RVMAFWLEHS HDREHGGFFT CLGRDGRVYD DATA SEQUENCE DLKYVWLQGR QVWMYCRLYR KLERFHRPEL LDAAKAGGEF LLRHARVAPP DATA SEQUENCE EKKCAFVLTR DGRPVKVQRS IFSECFYTMA MNELWRVTAE ARYQSEAVDM DATA SEQUENCE MDQIVHWVRE DPSGLGRPQL PGAVASESMA VPMMLLCLVE QLGEEDEELA DATA SEQUENCE GRYAQLGHWC ARRILQHVQR DGQAVLENVS EDGEELSGCL GRHQNPGHAL DATA SEQUENCE EAGWFLLRHS SRSGDAKLRA HVIDTFLLLP FRSGWDADHG GLFYFQDADG DATA SEQUENCE LCPTQLEWAM KLWWPHSEAM IAFLMGYSES GDPALLRLFY QVAEYTFRQF DATA SEQUENCE RDPEYGEWFG YLNREGKVAL TIKGGPFKGC FHVPRCLAMC EEMLSALLSR DATA SEQUENCE LA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 E N 1.680 121.894 120.200 0.023 0.000 2.070 2 E HA -0.200 4.149 4.350 -0.002 0.000 0.197 2 E C 1.372 177.985 176.600 0.021 0.000 1.004 2 E CA 2.101 58.513 56.400 0.019 0.000 0.805 2 E CB 0.204 29.910 29.700 0.011 0.000 0.744 2 E HN 0.471 nan 8.360 nan 0.000 0.451 3 K N 1.040 121.451 120.400 0.019 0.000 2.000 3 K HA -0.210 4.109 4.320 -0.002 0.000 0.218 3 K C 2.099 178.719 176.600 0.033 0.000 1.053 3 K CA 2.172 58.469 56.287 0.016 0.000 0.946 3 K CB -0.712 31.797 32.500 0.016 0.000 0.723 3 K HN 0.248 nan 8.250 nan 0.000 0.446 4 E N -0.071 120.162 120.200 0.055 0.000 2.021 4 E HA -0.276 4.073 4.350 -0.002 0.000 0.200 4 E C 2.232 178.891 176.600 0.098 0.000 1.015 4 E CA 1.767 58.222 56.400 0.091 0.000 0.824 4 E CB -0.250 29.509 29.700 0.097 0.000 0.762 4 E HN 0.338 nan 8.360 nan 0.000 0.454 5 R N 0.853 121.399 120.500 0.077 0.000 2.113 5 R HA -0.232 4.107 4.340 -0.002 0.000 0.244 5 R C 1.996 178.335 176.300 0.064 0.000 1.142 5 R CA 2.269 58.412 56.100 0.071 0.000 0.953 5 R CB -0.246 30.083 30.300 0.050 0.000 0.860 5 R HN 0.239 nan 8.270 nan 0.000 0.438 6 E N -0.542 119.682 120.200 0.040 0.000 2.077 6 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 6 E C 1.985 178.596 176.600 0.018 0.000 0.989 6 E CA 1.807 58.219 56.400 0.019 0.000 0.800 6 E CB -0.123 29.575 29.700 -0.003 0.000 0.746 6 E HN 0.465 nan 8.360 nan 0.000 0.452 7 T N 1.804 116.376 114.554 0.030 0.000 2.821 7 T HA -0.086 4.263 4.350 -0.002 0.000 0.267 7 T C 2.014 176.818 174.700 0.173 0.000 1.046 7 T CA 0.727 62.840 62.100 0.021 0.000 1.139 7 T CB -0.113 68.739 68.868 -0.027 0.000 0.871 7 T HN 0.077 nan 8.240 nan 0.000 0.454 8 L N 0.536 121.893 121.223 0.223 0.000 2.027 8 L HA -0.106 4.232 4.340 -0.002 0.000 0.206 8 L C 2.919 179.916 176.870 0.211 0.000 1.074 8 L CA 1.371 56.376 54.840 0.275 0.000 0.745 8 L CB -0.616 41.560 42.059 0.196 0.000 0.898 8 L HN 0.257 nan 8.230 nan 0.000 0.433 9 Q N -0.171 119.705 119.800 0.126 0.000 2.077 9 Q HA -0.260 4.079 4.340 -0.002 0.000 0.206 9 Q C 2.395 178.444 176.000 0.082 0.000 0.989 9 Q CA 1.987 57.844 55.803 0.090 0.000 0.853 9 Q CB -0.270 28.498 28.738 0.051 0.000 0.907 9 Q HN 0.568 nan 8.270 nan 0.000 0.418 10 A N -0.036 122.806 122.820 0.037 0.000 1.865 10 A HA -0.226 4.092 4.320 -0.002 0.000 0.217 10 A C 1.699 179.260 177.584 -0.038 0.000 1.191 10 A CA 1.498 53.499 52.037 -0.059 0.000 0.623 10 A CB -1.256 17.638 19.000 -0.176 0.000 0.826 10 A HN 0.609 nan 8.150 nan 0.000 0.444 11 W N -0.089 121.236 121.300 0.041 0.000 2.363 11 W HA -0.153 4.506 4.660 -0.002 0.000 0.296 11 W C 2.451 179.025 176.519 0.092 0.000 1.212 11 W CA 1.618 59.005 57.345 0.071 0.000 1.260 11 W CB 0.096 29.691 29.460 0.225 0.000 1.131 11 W HN 0.387 nan 8.180 nan 0.000 0.530 12 K N 0.774 121.383 120.400 0.348 0.000 2.147 12 K HA -0.241 4.078 4.320 -0.002 0.000 0.205 12 K C 1.767 178.489 176.600 0.202 0.000 1.049 12 K CA 1.871 58.305 56.287 0.245 0.000 0.936 12 K CB -0.153 32.446 32.500 0.165 0.000 0.722 12 K HN 0.027 nan 8.250 nan 0.000 0.446 13 E N 0.329 120.620 120.200 0.152 0.000 2.107 13 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 13 E C 2.038 178.720 176.600 0.138 0.000 0.982 13 E CA 0.913 57.379 56.400 0.110 0.000 0.809 13 E CB 0.107 29.838 29.700 0.051 0.000 0.756 13 E HN 0.218 nan 8.360 nan 0.000 0.459 14 R N -0.247 120.331 120.500 0.130 0.000 2.070 14 R HA -0.127 4.212 4.340 -0.002 0.000 0.233 14 R C 2.463 178.989 176.300 0.378 0.000 1.137 14 R CA 1.702 57.890 56.100 0.147 0.000 0.945 14 R CB -0.332 29.891 30.300 -0.128 0.000 0.845 14 R HN 0.298 nan 8.270 nan 0.000 0.430 15 V N -2.129 118.057 119.914 0.453 0.000 2.427 15 V HA 0.014 4.132 4.120 -0.002 0.000 0.248 15 V C 2.003 178.340 176.094 0.405 0.000 1.051 15 V CA 1.981 64.618 62.300 0.562 0.000 1.048 15 V CB -1.230 30.892 31.823 0.499 0.000 0.666 15 V HN 0.398 nan 8.190 nan 0.000 0.456 16 G N -0.590 108.391 108.800 0.303 0.000 2.421 16 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.216 16 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.216 16 G C 1.564 176.611 174.900 0.245 0.000 1.171 16 G CA 0.954 46.202 45.100 0.246 0.000 0.775 16 G HN 0.580 nan 8.290 nan 0.000 0.543 17 Q N -0.366 119.571 119.800 0.229 0.000 2.167 17 Q HA -0.084 4.255 4.340 -0.002 0.000 0.202 17 Q C 2.422 178.575 176.000 0.254 0.000 0.970 17 Q CA 1.263 57.188 55.803 0.204 0.000 0.855 17 Q CB -0.042 28.798 28.738 0.170 0.000 0.911 17 Q HN 0.491 nan 8.270 nan 0.000 0.438 18 E N 1.073 121.478 120.200 0.341 0.000 2.047 18 E HA -0.177 4.171 4.350 -0.002 0.000 0.191 18 E C 1.745 178.521 176.600 0.292 0.000 0.987 18 E CA 0.627 57.248 56.400 0.368 0.000 0.799 18 E CB -0.260 29.767 29.700 0.545 0.000 0.752 18 E HN 0.212 nan 8.360 nan 0.000 0.449 19 L N 0.995 122.393 121.223 0.292 0.000 2.043 19 L HA -0.205 4.134 4.340 -0.002 0.000 0.212 19 L C 1.481 178.537 176.870 0.311 0.000 1.075 19 L CA 2.241 57.226 54.840 0.242 0.000 0.752 19 L CB -0.705 41.507 42.059 0.256 0.000 0.891 19 L HN 0.101 nan 8.230 nan 0.000 0.432 20 D N -0.706 119.904 120.400 0.350 0.000 2.104 20 D HA -0.235 4.404 4.640 -0.002 0.000 0.194 20 D C 2.281 178.737 176.300 0.259 0.000 0.994 20 D CA 1.596 55.794 54.000 0.330 0.000 0.830 20 D CB -0.186 40.725 40.800 0.186 0.000 0.959 20 D HN 0.398 nan 8.370 nan 0.000 0.452 21 R N 0.722 121.356 120.500 0.224 0.000 2.062 21 R HA -0.114 4.225 4.340 -0.002 0.000 0.231 21 R C 2.301 178.729 176.300 0.214 0.000 1.136 21 R CA 1.644 57.864 56.100 0.201 0.000 0.948 21 R CB -0.380 30.033 30.300 0.187 0.000 0.845 21 R HN 0.214 nan 8.270 nan 0.000 0.430 22 V N -0.353 119.678 119.914 0.195 0.000 2.626 22 V HA -0.137 3.982 4.120 -0.002 0.000 0.252 22 V C 2.015 178.317 176.094 0.347 0.000 1.067 22 V CA 1.366 63.777 62.300 0.185 0.000 1.081 22 V CB -0.203 31.643 31.823 0.039 0.000 0.686 22 V HN 0.277 nan 8.190 nan 0.000 0.468 23 M N 0.835 120.605 119.600 0.284 0.000 2.200 23 M HA 0.148 4.626 4.480 -0.002 0.000 0.265 23 M C 2.451 178.920 176.300 0.282 0.000 1.066 23 M CA 1.877 57.340 55.300 0.271 0.000 1.127 23 M CB -1.582 31.111 32.600 0.156 0.000 1.379 23 M HN 0.561 nan 8.290 nan 0.000 0.420 24 A N -0.624 122.346 122.820 0.250 0.000 1.933 24 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 24 A C 2.144 179.820 177.584 0.154 0.000 1.175 24 A CA 1.260 53.401 52.037 0.174 0.000 0.628 24 A CB -1.037 18.056 19.000 0.155 0.000 0.814 24 A HN 0.427 nan 8.150 nan 0.000 0.444 25 F N -0.858 119.130 119.950 0.062 0.000 2.075 25 F HA -0.185 4.341 4.527 -0.002 0.000 0.297 25 F C 1.992 177.775 175.800 -0.028 0.000 1.113 25 F CA 1.964 59.970 58.000 0.010 0.000 1.218 25 F CB -0.450 38.458 39.000 -0.154 0.000 0.984 25 F HN 0.381 nan 8.300 nan 0.000 0.472 26 W N -0.344 121.137 121.300 0.300 0.000 2.402 26 W HA -0.150 4.509 4.660 -0.002 0.000 0.286 26 W C 2.066 178.600 176.519 0.024 0.000 1.221 26 W CA 0.137 57.597 57.345 0.193 0.000 1.257 26 W CB -0.574 29.043 29.460 0.263 0.000 1.120 26 W HN 0.025 nan 8.180 nan 0.000 0.551 27 L N 0.628 121.944 121.223 0.154 0.000 2.093 27 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 27 L C 2.330 178.972 176.870 -0.381 0.000 1.085 27 L CA 2.088 56.859 54.840 -0.114 0.000 0.755 27 L CB -1.358 40.703 42.059 0.003 0.000 0.904 27 L HN 0.258 nan 8.230 nan 0.000 0.435 28 E N -3.068 116.929 120.200 -0.338 0.000 2.472 28 E HA -0.070 4.279 4.350 -0.002 0.000 0.196 28 E C 1.175 177.412 176.600 -0.606 0.000 1.033 28 E CA 0.439 56.559 56.400 -0.468 0.000 0.886 28 E CB -0.004 29.385 29.700 -0.519 0.000 0.944 28 E HN 0.576 nan 8.360 nan 0.000 0.492 29 H N -0.179 118.719 119.070 -0.287 0.000 2.926 29 H HA 0.136 4.690 4.556 -0.002 0.000 0.249 29 H C 1.754 177.076 175.328 -0.010 0.000 0.963 29 H CA 0.717 56.609 56.048 -0.260 0.000 1.158 29 H CB 1.035 30.418 29.762 -0.632 0.000 1.445 29 H HN 0.214 nan 8.280 nan 0.000 0.452 30 S N 0.008 115.850 115.700 0.236 0.000 2.575 30 S HA 0.009 4.477 4.470 -0.002 0.000 0.215 30 S C 0.220 175.164 174.600 0.574 0.000 0.966 30 S CA -0.314 58.189 58.200 0.505 0.000 0.911 30 S CB -0.539 63.100 63.200 0.732 0.000 0.780 30 S HN 0.413 nan 8.310 nan 0.000 0.514 31 H N 2.152 121.401 119.070 0.298 0.000 2.800 31 H HA 0.250 4.805 4.556 -0.002 0.000 0.291 31 H C -0.830 174.460 175.328 -0.064 0.000 1.076 31 H CA -0.593 55.535 56.048 0.133 0.000 1.452 31 H CB 0.611 30.470 29.762 0.162 0.000 1.461 31 H HN 0.193 nan 8.280 nan 0.000 0.488 32 D N 3.504 123.715 120.400 -0.315 0.000 2.494 32 D HA 0.048 4.687 4.640 -0.002 0.000 0.217 32 D C 0.927 177.095 176.300 -0.219 0.000 1.153 32 D CA -0.308 53.414 54.000 -0.463 0.000 0.954 32 D CB 0.211 40.413 40.800 -0.996 0.000 1.034 32 D HN 0.462 nan 8.370 nan 0.000 0.518 33 R N 1.527 122.000 120.500 -0.044 0.000 2.189 33 R HA -0.060 4.279 4.340 -0.002 0.000 0.223 33 R C 1.282 177.550 176.300 -0.053 0.000 1.092 33 R CA 1.023 57.103 56.100 -0.035 0.000 0.989 33 R CB 0.345 30.662 30.300 0.029 0.000 0.876 33 R HN 0.318 nan 8.270 nan 0.000 0.457 34 E N -1.186 118.996 120.200 -0.030 0.000 2.112 34 E HA -0.042 4.306 4.350 -0.002 0.000 0.190 34 E C 1.103 177.519 176.600 -0.306 0.000 0.979 34 E CA 1.023 57.359 56.400 -0.106 0.000 0.814 34 E CB 0.182 29.891 29.700 0.014 0.000 0.762 34 E HN 0.431 nan 8.360 nan 0.000 0.460 35 H N -1.551 117.478 119.070 -0.068 0.000 3.170 35 H HA 0.380 4.935 4.556 -0.002 0.000 0.264 35 H C 0.529 175.838 175.328 -0.032 0.000 1.113 35 H CA 0.470 56.505 56.048 -0.023 0.000 1.194 35 H CB 1.207 30.966 29.762 -0.004 0.000 1.553 35 H HN 0.168 nan 8.280 nan 0.000 0.538 36 G N 0.354 109.066 108.800 -0.148 0.000 2.690 36 G HA2 0.178 4.136 3.960 -0.002 0.000 0.686 36 G HA3 0.178 4.136 3.960 -0.002 0.000 0.686 36 G C 0.200 174.629 174.900 -0.784 0.000 1.277 36 G CA -0.304 44.632 45.100 -0.275 0.000 0.799 36 G HN 0.828 nan 8.290 nan 0.000 0.613 37 G N -1.019 107.196 108.800 -0.974 0.000 2.728 37 G HA2 0.422 4.381 3.960 -0.002 0.000 0.294 37 G HA3 0.422 4.381 3.960 -0.002 0.000 0.294 37 G C -0.380 173.676 174.900 -1.406 0.000 1.342 37 G CA 0.224 44.523 45.100 -1.335 0.000 0.866 37 G HN 1.897 nan 8.290 nan 0.000 0.534 38 F N -1.258 118.387 119.950 -0.509 0.000 2.593 38 F HA 0.782 5.308 4.527 -0.002 0.000 0.320 38 F C -0.088 175.543 175.800 -0.281 0.000 1.060 38 F CA -0.981 56.814 58.000 -0.342 0.000 0.940 38 F CB 1.656 40.588 39.000 -0.114 0.000 1.268 38 F HN 0.343 nan 8.300 nan 0.000 0.475 39 F N 0.281 120.363 119.950 0.220 0.000 2.410 39 F HA 0.383 4.908 4.527 -0.002 0.000 0.349 39 F C 1.178 177.121 175.800 0.238 0.000 1.117 39 F CA -0.864 57.208 58.000 0.119 0.000 1.104 39 F CB 1.513 40.547 39.000 0.057 0.000 1.122 39 F HN 0.578 nan 8.300 nan 0.000 0.483 40 T N -2.845 111.940 114.554 0.386 0.000 2.990 40 T HA 0.048 4.396 4.350 -0.002 0.000 0.250 40 T C 0.672 175.509 174.700 0.229 0.000 1.041 40 T CA 0.138 62.492 62.100 0.423 0.000 1.010 40 T CB -0.517 68.547 68.868 0.326 0.000 1.003 40 T HN 0.487 nan 8.240 nan 0.000 0.499 41 C N 3.598 122.893 119.300 -0.007 0.000 2.645 41 C HA 0.493 4.952 4.460 -0.002 0.000 0.451 41 C C 0.307 174.951 174.990 -0.578 0.000 1.018 41 C CA -1.053 57.637 59.018 -0.547 0.000 1.180 41 C CB -2.501 24.678 27.740 -0.935 0.000 1.563 41 C HN 0.547 nan 8.230 nan 0.000 0.551 42 L N 2.048 123.279 121.223 0.013 0.000 2.307 42 L HA 0.530 4.869 4.340 -0.002 0.000 0.284 42 L C 1.134 178.201 176.870 0.328 0.000 1.023 42 L CA -0.041 54.867 54.840 0.113 0.000 0.810 42 L CB 1.144 43.219 42.059 0.027 0.000 1.231 42 L HN 0.616 nan 8.230 nan 0.000 0.423 43 G N 1.302 110.256 108.800 0.255 0.000 2.611 43 G HA2 0.074 4.032 3.960 -0.002 0.000 0.273 43 G HA3 0.074 4.032 3.960 -0.002 0.000 0.273 43 G C 0.806 175.711 174.900 0.008 0.000 1.305 43 G CA -0.287 44.885 45.100 0.120 0.000 1.010 43 G HN 0.840 nan 8.290 nan 0.000 0.509 44 R N -0.612 119.855 120.500 -0.055 0.000 2.105 44 R HA -0.142 4.196 4.340 -0.002 0.000 0.239 44 R C 1.645 177.777 176.300 -0.281 0.000 1.135 44 R CA 2.377 58.418 56.100 -0.099 0.000 0.967 44 R CB -0.243 30.061 30.300 0.008 0.000 0.861 44 R HN 0.576 nan 8.270 nan 0.000 0.442 45 D N -1.761 118.349 120.400 -0.484 0.000 2.340 45 D HA 0.122 4.761 4.640 -0.002 0.000 0.220 45 D C 1.056 177.075 176.300 -0.467 0.000 1.039 45 D CA 0.664 54.210 54.000 -0.757 0.000 0.866 45 D CB 0.391 40.689 40.800 -0.837 0.000 0.913 45 D HN 0.457 nan 8.370 nan 0.000 0.523 46 G N 0.070 108.656 108.800 -0.358 0.000 2.175 46 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.244 46 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.244 46 G C 0.282 174.857 174.900 -0.542 0.000 0.982 46 G CA -0.368 44.217 45.100 -0.858 0.000 0.641 46 G HN 0.361 nan 8.290 nan 0.000 0.527 47 R N 0.529 120.858 120.500 -0.285 0.000 2.442 47 R HA 0.505 4.844 4.340 -0.002 0.000 0.291 47 R C 0.678 176.924 176.300 -0.090 0.000 1.069 47 R CA -0.562 55.446 56.100 -0.153 0.000 1.022 47 R CB 0.731 30.968 30.300 -0.105 0.000 0.976 47 R HN 0.189 nan 8.270 nan 0.000 0.443 48 V N 7.011 126.834 119.914 -0.150 0.000 2.479 48 V HA -0.003 4.115 4.120 -0.002 0.000 0.281 48 V C 0.543 176.553 176.094 -0.140 0.000 1.031 48 V CA 0.188 62.345 62.300 -0.238 0.000 1.038 48 V CB 0.281 31.803 31.823 -0.501 0.000 0.981 48 V HN 0.854 nan 8.190 nan 0.000 0.478 49 Y N 1.182 121.424 120.300 -0.097 0.000 2.467 49 Y HA 0.603 5.152 4.550 -0.002 0.000 0.250 49 Y C 0.321 176.193 175.900 -0.046 0.000 1.155 49 Y CA -0.732 57.329 58.100 -0.065 0.000 1.249 49 Y CB 0.541 38.980 38.460 -0.035 0.000 1.146 49 Y HN 0.533 nan 8.280 nan 0.000 0.524 50 D N 0.635 120.845 120.400 -0.317 0.000 2.706 50 D HA 0.062 4.701 4.640 -0.002 0.000 0.227 50 D C -1.312 174.860 176.300 -0.212 0.000 1.233 50 D CA -0.195 53.692 54.000 -0.188 0.000 0.768 50 D CB 1.630 42.365 40.800 -0.108 0.000 1.490 50 D HN 0.271 nan 8.370 nan 0.000 0.458 51 D N 1.816 122.148 120.400 -0.113 0.000 2.424 51 D HA 0.155 4.794 4.640 -0.002 0.000 0.220 51 D C 0.571 176.908 176.300 0.061 0.000 1.150 51 D CA -0.188 53.814 54.000 0.004 0.000 0.831 51 D CB -0.106 40.700 40.800 0.011 0.000 0.981 51 D HN 0.189 nan 8.370 nan 0.000 0.500 52 L N 0.293 121.490 121.223 -0.044 0.000 2.452 52 L HA 0.221 4.559 4.340 -0.002 0.000 0.267 52 L C 0.826 177.574 176.870 -0.203 0.000 1.188 52 L CA -0.094 54.633 54.840 -0.189 0.000 0.821 52 L CB 0.702 42.539 42.059 -0.369 0.000 1.102 52 L HN -0.146 nan 8.230 nan 0.000 0.470 53 K N 3.223 123.449 120.400 -0.291 0.000 2.449 53 K HA 0.294 4.613 4.320 -0.002 0.000 0.257 53 K C -1.389 175.027 176.600 -0.308 0.000 0.989 53 K CA -0.456 55.711 56.287 -0.200 0.000 0.916 53 K CB 1.105 33.540 32.500 -0.109 0.000 1.136 53 K HN 0.300 nan 8.250 nan 0.000 0.439 54 Y N 1.641 121.848 120.300 -0.156 0.000 2.452 54 Y HA -0.039 4.510 4.550 -0.002 0.000 0.348 54 Y C 1.848 177.628 175.900 -0.201 0.000 0.985 54 Y CA -0.351 57.548 58.100 -0.335 0.000 1.214 54 Y CB 0.690 38.882 38.460 -0.448 0.000 1.136 54 Y HN 0.286 nan 8.280 nan 0.000 0.523 55 V N 2.726 122.602 119.914 -0.064 0.000 2.370 55 V HA -0.360 3.759 4.120 -0.002 0.000 0.252 55 V C 1.685 177.929 176.094 0.249 0.000 1.068 55 V CA 1.761 64.139 62.300 0.130 0.000 1.061 55 V CB -0.521 31.407 31.823 0.176 0.000 0.656 55 V HN 0.828 nan 8.190 nan 0.000 0.455 56 W N 0.126 121.366 121.300 -0.100 0.000 2.332 56 W HA -0.102 4.556 4.660 -0.002 0.000 0.321 56 W C 2.383 178.666 176.519 -0.392 0.000 1.219 56 W CA 1.181 58.410 57.345 -0.193 0.000 1.277 56 W CB -1.277 28.044 29.460 -0.232 0.000 1.161 56 W HN 0.201 nan 8.180 nan 0.000 0.476 57 L N 0.005 121.224 121.223 -0.006 0.000 2.191 57 L HA -0.223 4.116 4.340 -0.002 0.000 0.212 57 L C 2.515 179.332 176.870 -0.089 0.000 1.103 57 L CA 0.957 55.724 54.840 -0.121 0.000 0.769 57 L CB -1.073 40.967 42.059 -0.031 0.000 0.908 57 L HN 0.051 nan 8.230 nan 0.000 0.438 58 Q N 0.435 120.260 119.800 0.042 0.000 2.020 58 Q HA -0.081 4.258 4.340 -0.002 0.000 0.198 58 Q C 2.418 178.481 176.000 0.106 0.000 0.974 58 Q CA 1.721 57.610 55.803 0.143 0.000 0.829 58 Q CB -0.724 28.118 28.738 0.174 0.000 0.894 58 Q HN 0.532 nan 8.270 nan 0.000 0.433 59 G N 1.341 110.201 108.800 0.100 0.000 2.440 59 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.218 59 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.218 59 G C 1.618 176.537 174.900 0.032 0.000 1.154 59 G CA 0.764 45.932 45.100 0.114 0.000 0.767 59 G HN 0.256 nan 8.290 nan 0.000 0.552 60 R N -0.304 120.072 120.500 -0.208 0.000 2.081 60 R HA -0.050 4.289 4.340 -0.002 0.000 0.235 60 R C 2.685 178.960 176.300 -0.042 0.000 1.131 60 R CA 1.537 57.418 56.100 -0.365 0.000 0.960 60 R CB -0.345 29.371 30.300 -0.973 0.000 0.856 60 R HN 0.486 nan 8.270 nan 0.000 0.436 61 Q N 0.529 120.204 119.800 -0.209 0.000 2.119 61 Q HA -0.115 4.224 4.340 -0.002 0.000 0.201 61 Q C 1.946 177.732 176.000 -0.356 0.000 0.972 61 Q CA 1.281 56.823 55.803 -0.434 0.000 0.847 61 Q CB 0.197 28.340 28.738 -0.992 0.000 0.903 61 Q HN 0.141 nan 8.270 nan 0.000 0.433 62 V N -0.103 119.748 119.914 -0.106 0.000 2.295 62 V HA -0.239 3.880 4.120 -0.002 0.000 0.246 62 V C 1.782 177.937 176.094 0.101 0.000 1.049 62 V CA 1.980 64.285 62.300 0.008 0.000 1.024 62 V CB -0.783 31.085 31.823 0.076 0.000 0.648 62 V HN 0.647 nan 8.190 nan 0.000 0.447 63 W N 0.202 121.494 121.300 -0.013 0.000 2.335 63 W HA -0.309 4.350 4.660 -0.002 0.000 0.311 63 W C 2.397 178.969 176.519 0.089 0.000 1.213 63 W CA 2.391 59.766 57.345 0.051 0.000 1.274 63 W CB -0.297 29.224 29.460 0.101 0.000 1.148 63 W HN 0.231 nan 8.180 nan 0.000 0.498 64 M N -0.247 119.599 119.600 0.409 0.000 2.080 64 M HA -0.253 4.226 4.480 -0.002 0.000 0.260 64 M C 1.953 178.251 176.300 -0.003 0.000 1.068 64 M CA 1.954 57.347 55.300 0.156 0.000 1.109 64 M CB -1.315 31.472 32.600 0.312 0.000 1.342 64 M HN 0.161 nan 8.290 nan 0.000 0.405 65 Y N -0.503 119.708 120.300 -0.148 0.000 2.097 65 Y HA -0.273 4.276 4.550 -0.002 0.000 0.282 65 Y C 2.743 178.571 175.900 -0.120 0.000 1.152 65 Y CA 1.519 59.544 58.100 -0.124 0.000 1.136 65 Y CB -1.457 36.958 38.460 -0.076 0.000 0.975 65 Y HN 0.349 nan 8.280 nan 0.000 0.498 66 C N -0.782 118.523 119.300 0.008 0.000 2.436 66 C HA -0.188 4.271 4.460 -0.002 0.000 0.277 66 C C 2.803 177.722 174.990 -0.119 0.000 1.241 66 C CA 1.156 60.124 59.018 -0.084 0.000 1.721 66 C CB -1.074 26.583 27.740 -0.139 0.000 2.043 66 C HN 0.453 nan 8.230 nan 0.000 0.472 67 R N 0.670 120.961 120.500 -0.349 0.000 2.112 67 R HA -0.155 4.184 4.340 -0.002 0.000 0.242 67 R C 1.869 178.037 176.300 -0.220 0.000 1.137 67 R CA 1.757 57.589 56.100 -0.448 0.000 0.944 67 R CB -0.901 28.814 30.300 -0.974 0.000 0.857 67 R HN 0.329 nan 8.270 nan 0.000 0.435 68 L N -0.592 120.507 121.223 -0.207 0.000 2.046 68 L HA -0.149 4.189 4.340 -0.002 0.000 0.208 68 L C 2.120 179.039 176.870 0.082 0.000 1.077 68 L CA 1.776 56.535 54.840 -0.135 0.000 0.747 68 L CB -1.194 40.620 42.059 -0.407 0.000 0.896 68 L HN 0.299 nan 8.230 nan 0.000 0.432 69 Y N 1.313 121.589 120.300 -0.040 0.000 2.256 69 Y HA -0.289 4.259 4.550 -0.002 0.000 0.288 69 Y C 2.542 178.482 175.900 0.067 0.000 1.155 69 Y CA 2.092 60.192 58.100 -0.000 0.000 1.203 69 Y CB -0.047 38.352 38.460 -0.101 0.000 0.980 69 Y HN 0.321 nan 8.280 nan 0.000 0.530 70 R N -1.020 119.580 120.500 0.168 0.000 2.308 70 R HA 0.186 4.524 4.340 -0.002 0.000 0.202 70 R C 1.550 177.880 176.300 0.050 0.000 0.898 70 R CA 0.359 56.532 56.100 0.121 0.000 1.046 70 R CB -0.012 30.359 30.300 0.118 0.000 1.026 70 R HN 0.169 nan 8.270 nan 0.000 0.512 71 K N 0.152 120.573 120.400 0.035 0.000 2.350 71 K HA 0.194 4.513 4.320 -0.002 0.000 0.196 71 K C -0.381 176.249 176.600 0.051 0.000 1.084 71 K CA 0.127 56.428 56.287 0.024 0.000 0.967 71 K CB 0.559 33.059 32.500 -0.001 0.000 0.950 71 K HN 0.000 nan 8.250 nan 0.000 0.512 72 L N 1.770 123.057 121.223 0.108 0.000 2.318 72 L HA 0.165 4.504 4.340 -0.002 0.000 0.277 72 L C 0.945 177.878 176.870 0.105 0.000 1.008 72 L CA -0.002 54.931 54.840 0.155 0.000 0.846 72 L CB 1.412 43.688 42.059 0.361 0.000 1.220 72 L HN 0.007 nan 8.230 nan 0.000 0.423 73 E N 2.890 123.092 120.200 0.003 0.000 2.208 73 E HA -0.270 4.079 4.350 -0.002 0.000 0.202 73 E C 1.993 178.542 176.600 -0.085 0.000 1.014 73 E CA 1.849 58.211 56.400 -0.064 0.000 0.819 73 E CB 0.066 29.709 29.700 -0.096 0.000 0.735 73 E HN 0.501 nan 8.360 nan 0.000 0.469 74 R N -0.790 119.619 120.500 -0.152 0.000 2.237 74 R HA -0.098 4.241 4.340 -0.002 0.000 0.219 74 R C 0.894 176.906 176.300 -0.480 0.000 1.080 74 R CA 1.210 57.111 56.100 -0.332 0.000 0.995 74 R CB -0.261 29.770 30.300 -0.449 0.000 0.875 74 R HN 0.298 nan 8.270 nan 0.000 0.462 75 F N -0.917 119.024 119.950 -0.014 0.000 2.653 75 F HA 0.147 4.673 4.527 -0.002 0.000 0.304 75 F C 0.508 176.285 175.800 -0.038 0.000 1.092 75 F CA -0.433 57.557 58.000 -0.016 0.000 1.279 75 F CB 0.305 39.292 39.000 -0.021 0.000 1.044 75 F HN 0.097 nan 8.300 nan 0.000 0.564 76 H N 2.113 121.102 119.070 -0.135 0.000 2.966 76 H HA 0.259 4.814 4.556 -0.002 0.000 0.217 76 H C 0.085 175.291 175.328 -0.203 0.000 1.906 76 H CA -0.143 55.608 56.048 -0.496 0.000 1.351 76 H CB -0.267 29.183 29.762 -0.521 0.000 1.722 76 H HN 0.035 nan 8.280 nan 0.000 0.562 77 R N 1.837 122.388 120.500 0.084 0.000 2.832 77 R HA 0.214 4.553 4.340 -0.002 0.000 0.271 77 R C -2.034 174.421 176.300 0.260 0.000 0.996 77 R CA -2.083 54.111 56.100 0.157 0.000 0.977 77 R CB 1.111 31.480 30.300 0.116 0.000 1.168 77 R HN 0.258 nan 8.270 nan 0.000 0.482 78 P HA -0.143 nan 4.420 nan 0.000 0.222 78 P C 0.520 177.885 177.300 0.107 0.000 1.153 78 P CA 1.185 64.367 63.100 0.136 0.000 0.798 78 P CB 0.301 32.061 31.700 0.101 0.000 0.796 79 E N 0.396 120.674 120.200 0.129 0.000 2.118 79 E HA -0.156 4.193 4.350 -0.002 0.000 0.195 79 E C 2.114 178.829 176.600 0.191 0.000 0.992 79 E CA 0.959 57.453 56.400 0.156 0.000 0.804 79 E CB -1.301 28.495 29.700 0.160 0.000 0.741 79 E HN 0.269 nan 8.360 nan 0.000 0.458 80 L N 0.334 121.653 121.223 0.160 0.000 2.044 80 L HA -0.107 4.232 4.340 -0.002 0.000 0.205 80 L C 2.439 179.376 176.870 0.113 0.000 1.075 80 L CA 0.782 55.707 54.840 0.142 0.000 0.747 80 L CB -0.624 41.489 42.059 0.090 0.000 0.903 80 L HN 0.124 nan 8.230 nan 0.000 0.435 81 L N -0.455 120.704 121.223 -0.105 0.000 2.083 81 L HA -0.209 4.130 4.340 -0.002 0.000 0.209 81 L C 2.021 178.825 176.870 -0.110 0.000 1.083 81 L CA 1.739 56.395 54.840 -0.307 0.000 0.752 81 L CB -1.055 40.646 42.059 -0.597 0.000 0.899 81 L HN 0.265 nan 8.230 nan 0.000 0.433 82 D N -0.345 120.038 120.400 -0.027 0.000 2.097 82 D HA -0.138 4.501 4.640 -0.002 0.000 0.195 82 D C 2.211 178.497 176.300 -0.024 0.000 0.989 82 D CA 1.635 55.629 54.000 -0.011 0.000 0.827 82 D CB -0.096 40.719 40.800 0.025 0.000 0.966 82 D HN 0.400 nan 8.370 nan 0.000 0.456 83 A N 0.741 123.577 122.820 0.026 0.000 1.902 83 A HA -0.040 4.279 4.320 -0.002 0.000 0.217 83 A C 2.277 179.854 177.584 -0.012 0.000 1.181 83 A CA 2.290 54.287 52.037 -0.067 0.000 0.623 83 A CB -0.799 18.200 19.000 -0.002 0.000 0.818 83 A HN 0.237 nan 8.150 nan 0.000 0.443 84 A N -0.354 122.528 122.820 0.102 0.000 1.902 84 A HA -0.157 4.161 4.320 -0.002 0.000 0.217 84 A C 2.129 179.677 177.584 -0.060 0.000 1.181 84 A CA 1.953 54.016 52.037 0.043 0.000 0.623 84 A CB -0.413 18.601 19.000 0.024 0.000 0.818 84 A HN 0.524 nan 8.150 nan 0.000 0.443 85 K N -0.413 119.939 120.400 -0.080 0.000 2.025 85 K HA -0.003 4.316 4.320 -0.002 0.000 0.207 85 K C 2.275 178.845 176.600 -0.050 0.000 1.049 85 K CA 1.123 57.369 56.287 -0.067 0.000 0.933 85 K CB -0.343 32.137 32.500 -0.033 0.000 0.714 85 K HN 0.414 nan 8.250 nan 0.000 0.438 86 A N 0.864 123.630 122.820 -0.090 0.000 1.978 86 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 86 A C 2.284 179.766 177.584 -0.170 0.000 1.170 86 A CA 2.058 54.022 52.037 -0.123 0.000 0.636 86 A CB -1.118 17.765 19.000 -0.195 0.000 0.810 86 A HN 0.472 nan 8.150 nan 0.000 0.448 87 G N -0.749 107.902 108.800 -0.249 0.000 2.394 87 G HA2 0.100 4.059 3.960 -0.002 0.000 0.215 87 G HA3 0.100 4.059 3.960 -0.002 0.000 0.215 87 G C 1.523 176.416 174.900 -0.012 0.000 1.165 87 G CA 1.089 46.030 45.100 -0.265 0.000 0.784 87 G HN 0.678 nan 8.290 nan 0.000 0.535 88 G N 0.620 109.410 108.800 -0.017 0.000 2.422 88 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.218 88 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.218 88 G C 1.650 176.614 174.900 0.107 0.000 1.146 88 G CA 1.122 46.226 45.100 0.007 0.000 0.769 88 G HN 0.331 nan 8.290 nan 0.000 0.547 89 E N 0.278 120.547 120.200 0.115 0.000 2.038 89 E HA -0.127 4.222 4.350 -0.002 0.000 0.195 89 E C 2.057 178.748 176.600 0.151 0.000 1.000 89 E CA 0.556 57.032 56.400 0.126 0.000 0.803 89 E CB -0.687 29.071 29.700 0.097 0.000 0.750 89 E HN 0.446 nan 8.360 nan 0.000 0.448 90 F N 1.452 121.429 119.950 0.045 0.000 2.087 90 F HA -0.249 4.277 4.527 -0.002 0.000 0.299 90 F C 2.298 178.229 175.800 0.219 0.000 1.100 90 F CA 1.424 59.514 58.000 0.151 0.000 1.226 90 F CB -0.194 38.805 39.000 -0.001 0.000 0.983 90 F HN -0.043 nan 8.300 nan 0.000 0.479 91 L N -0.449 120.963 121.223 0.315 0.000 2.046 91 L HA -0.255 4.083 4.340 -0.002 0.000 0.208 91 L C 2.499 179.544 176.870 0.292 0.000 1.077 91 L CA 1.099 56.128 54.840 0.315 0.000 0.747 91 L CB -0.754 41.481 42.059 0.293 0.000 0.896 91 L HN 0.251 nan 8.230 nan 0.000 0.432 92 L N -0.451 120.892 121.223 0.201 0.000 2.042 92 L HA -0.234 4.104 4.340 -0.002 0.000 0.210 92 L C 2.956 179.829 176.870 0.006 0.000 1.076 92 L CA 1.473 56.412 54.840 0.165 0.000 0.749 92 L CB -0.492 41.636 42.059 0.116 0.000 0.893 92 L HN 0.343 nan 8.230 nan 0.000 0.432 93 R N -0.737 119.662 120.500 -0.170 0.000 2.062 93 R HA -0.074 4.265 4.340 -0.002 0.000 0.226 93 R C 1.906 177.842 176.300 -0.607 0.000 1.125 93 R CA 1.400 57.218 56.100 -0.471 0.000 0.966 93 R CB -0.447 29.382 30.300 -0.785 0.000 0.861 93 R HN 0.506 nan 8.270 nan 0.000 0.433 94 H N 0.184 119.090 119.070 -0.273 0.000 2.654 94 H HA 0.359 4.914 4.556 -0.002 0.000 0.264 94 H C 1.867 177.107 175.328 -0.147 0.000 0.954 94 H CA 0.369 56.252 56.048 -0.275 0.000 1.199 94 H CB 0.104 29.547 29.762 -0.531 0.000 1.446 94 H HN 0.239 nan 8.280 nan 0.000 0.516 95 A N 1.707 124.553 122.820 0.043 0.000 1.869 95 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 95 A C 1.382 178.961 177.584 -0.009 0.000 1.203 95 A CA 1.097 53.178 52.037 0.074 0.000 0.638 95 A CB -0.545 18.550 19.000 0.158 0.000 0.831 95 A HN 0.297 nan 8.150 nan 0.000 0.450 96 R N -0.635 119.824 120.500 -0.069 0.000 2.522 96 R HA 0.249 4.588 4.340 -0.002 0.000 0.284 96 R C 1.098 177.388 176.300 -0.018 0.000 1.032 96 R CA 0.095 56.157 56.100 -0.064 0.000 1.049 96 R CB 0.732 30.983 30.300 -0.082 0.000 0.956 96 R HN 0.214 nan 8.270 nan 0.000 0.422 97 V N 2.492 122.410 119.914 0.007 0.000 2.323 97 V HA -0.100 4.018 4.120 -0.002 0.000 0.244 97 V C 0.837 176.936 176.094 0.009 0.000 1.041 97 V CA 2.045 64.355 62.300 0.017 0.000 1.025 97 V CB -0.177 31.665 31.823 0.032 0.000 0.656 97 V HN 0.863 nan 8.190 nan 0.000 0.451 98 A N 0.216 123.042 122.820 0.010 0.000 3.030 98 A HA 0.625 4.944 4.320 -0.002 0.000 0.335 98 A C -2.319 175.264 177.584 -0.003 0.000 1.089 98 A CA -0.941 51.099 52.037 0.005 0.000 0.807 98 A CB 0.523 19.531 19.000 0.014 0.000 1.099 98 A HN 0.335 nan 8.150 nan 0.000 0.474 99 P HA 0.126 nan 4.420 nan 0.000 0.255 99 P C -1.720 175.562 177.300 -0.029 0.000 1.357 99 P CA -0.132 62.950 63.100 -0.029 0.000 0.839 99 P CB -0.207 31.466 31.700 -0.045 0.000 1.356 100 P HA -0.106 nan 4.420 nan 0.000 0.212 100 P C 0.479 177.767 177.300 -0.021 0.000 1.180 100 P CA 1.037 64.123 63.100 -0.023 0.000 0.906 100 P CB -0.213 31.476 31.700 -0.018 0.000 0.782 101 E N 0.738 120.938 120.200 -0.001 0.000 2.502 101 E HA -0.078 4.270 4.350 -0.002 0.000 0.261 101 E C 0.896 177.509 176.600 0.022 0.000 0.974 101 E CA 0.473 56.889 56.400 0.027 0.000 0.936 101 E CB 0.443 30.182 29.700 0.064 0.000 0.926 101 E HN 0.325 nan 8.360 nan 0.000 0.459 102 K N 1.876 122.291 120.400 0.025 0.000 2.418 102 K HA -0.049 4.269 4.320 -0.002 0.000 0.195 102 K C 0.612 177.300 176.600 0.147 0.000 1.035 102 K CA 0.091 56.376 56.287 -0.004 0.000 1.003 102 K CB -0.004 32.414 32.500 -0.135 0.000 0.793 102 K HN 0.149 nan 8.250 nan 0.000 0.494 103 K N 2.100 122.693 120.400 0.321 0.000 2.437 103 K HA -0.062 4.257 4.320 -0.002 0.000 0.277 103 K C -0.689 175.977 176.600 0.111 0.000 1.073 103 K CA 0.192 56.649 56.287 0.285 0.000 1.105 103 K CB -0.053 32.539 32.500 0.153 0.000 0.881 103 K HN 0.027 nan 8.250 nan 0.000 0.475 104 C N 3.708 123.066 119.300 0.096 0.000 2.382 104 C HA 0.737 5.195 4.460 -0.002 0.000 0.363 104 C C 0.552 175.612 174.990 0.118 0.000 1.213 104 C CA -0.866 58.190 59.018 0.063 0.000 2.363 104 C CB 0.759 28.527 27.740 0.047 0.000 2.397 104 C HN 0.924 nan 8.230 nan 0.000 0.573 105 A N 0.647 123.537 122.820 0.116 0.000 2.304 105 A HA 0.541 4.859 4.320 -0.002 0.000 0.271 105 A C 0.324 178.038 177.584 0.217 0.000 1.091 105 A CA -0.336 51.788 52.037 0.144 0.000 0.812 105 A CB 0.070 19.124 19.000 0.090 0.000 1.056 105 A HN 0.936 nan 8.150 nan 0.000 0.489 106 F N 1.752 121.766 119.950 0.106 0.000 2.270 106 F HA 0.308 4.833 4.527 -0.002 0.000 0.295 106 F C 0.595 176.430 175.800 0.059 0.000 1.087 106 F CA 1.447 59.516 58.000 0.116 0.000 1.365 106 F CB 0.369 39.410 39.000 0.069 0.000 1.056 106 F HN 0.438 nan 8.300 nan 0.000 0.506 107 V N 1.851 121.713 119.914 -0.086 0.000 2.932 107 V HA 0.543 4.662 4.120 -0.002 0.000 0.307 107 V C -1.455 174.543 176.094 -0.159 0.000 1.147 107 V CA -0.829 61.288 62.300 -0.305 0.000 0.951 107 V CB 2.073 33.618 31.823 -0.463 0.000 1.031 107 V HN 0.109 nan 8.190 nan 0.000 0.426 108 L N 3.965 125.080 121.223 -0.180 0.000 2.309 108 L HA 0.750 5.089 4.340 -0.002 0.000 0.261 108 L C 0.578 177.378 176.870 -0.117 0.000 1.021 108 L CA -0.621 54.167 54.840 -0.087 0.000 0.823 108 L CB 2.374 44.431 42.059 -0.003 0.000 1.366 108 L HN 0.849 nan 8.230 nan 0.000 0.423 109 T N -3.004 111.501 114.554 -0.082 0.000 2.766 109 T HA 0.136 4.484 4.350 -0.002 0.000 0.295 109 T C 1.115 175.772 174.700 -0.072 0.000 1.024 109 T CA -0.407 61.640 62.100 -0.088 0.000 1.018 109 T CB 0.919 69.742 68.868 -0.075 0.000 1.002 109 T HN 0.631 nan 8.240 nan 0.000 0.532 110 R N 0.963 121.406 120.500 -0.095 0.000 2.117 110 R HA -0.155 4.184 4.340 -0.002 0.000 0.243 110 R C 1.590 177.790 176.300 -0.166 0.000 1.143 110 R CA 2.225 58.251 56.100 -0.123 0.000 0.968 110 R CB -0.709 29.521 30.300 -0.117 0.000 0.863 110 R HN 0.912 nan 8.270 nan 0.000 0.444 111 D N -1.787 118.466 120.400 -0.245 0.000 2.349 111 D HA -0.002 4.637 4.640 -0.002 0.000 0.224 111 D C 0.941 177.059 176.300 -0.302 0.000 1.029 111 D CA 0.947 54.822 54.000 -0.208 0.000 0.879 111 D CB 0.099 40.798 40.800 -0.169 0.000 0.906 111 D HN 0.400 nan 8.370 nan 0.000 0.528 112 G N 0.858 109.498 108.800 -0.267 0.000 2.130 112 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.216 112 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.216 112 G C -0.002 174.778 174.900 -0.201 0.000 0.999 112 G CA -0.423 44.308 45.100 -0.614 0.000 0.686 112 G HN 0.375 nan 8.290 nan 0.000 0.515 113 R N 1.325 121.769 120.500 -0.094 0.000 2.254 113 R HA 0.427 4.765 4.340 -0.002 0.000 0.318 113 R C -2.166 174.121 176.300 -0.022 0.000 1.031 113 R CA -1.819 54.264 56.100 -0.028 0.000 0.905 113 R CB 1.184 31.471 30.300 -0.022 0.000 1.050 113 R HN 0.103 nan 8.270 nan 0.000 0.456 114 P HA -0.058 nan 4.420 nan 0.000 0.264 114 P C -0.017 177.287 177.300 0.007 0.000 1.193 114 P CA 0.250 63.356 63.100 0.009 0.000 0.763 114 P CB 1.112 32.826 31.700 0.024 0.000 0.810 115 V N 3.210 123.128 119.914 0.007 0.000 2.911 115 V HA 0.180 4.299 4.120 -0.002 0.000 0.237 115 V C 1.002 177.125 176.094 0.048 0.000 1.156 115 V CA 1.252 63.560 62.300 0.012 0.000 1.180 115 V CB -0.274 31.539 31.823 -0.016 0.000 0.932 115 V HN 0.483 nan 8.190 nan 0.000 0.483 116 K N 0.025 120.477 120.400 0.087 0.000 2.469 116 K HA 0.686 5.005 4.320 -0.002 0.000 0.254 116 K C -1.905 174.803 176.600 0.180 0.000 0.939 116 K CA -0.381 55.988 56.287 0.137 0.000 0.812 116 K CB 2.790 35.415 32.500 0.209 0.000 1.301 116 K HN -0.029 nan 8.250 nan 0.000 0.433 117 V N 3.353 123.348 119.914 0.135 0.000 2.531 117 V HA 0.322 4.441 4.120 -0.002 0.000 0.301 117 V C -0.776 175.377 176.094 0.099 0.000 1.034 117 V CA -0.801 61.580 62.300 0.135 0.000 0.865 117 V CB 1.551 33.417 31.823 0.071 0.000 0.995 117 V HN 0.759 nan 8.190 nan 0.000 0.424 118 Q N 4.839 124.726 119.800 0.144 0.000 2.307 118 Q HA 0.395 4.734 4.340 -0.002 0.000 0.262 118 Q C 0.003 176.029 176.000 0.044 0.000 0.961 118 Q CA -0.923 54.921 55.803 0.067 0.000 0.882 118 Q CB 1.112 29.893 28.738 0.071 0.000 1.264 118 Q HN 0.724 nan 8.270 nan 0.000 0.446 119 R N 2.442 122.933 120.500 -0.016 0.000 4.113 119 R HA 0.121 4.459 4.340 -0.002 0.000 0.179 119 R C -0.668 175.572 176.300 -0.099 0.000 1.781 119 R CA 0.042 56.089 56.100 -0.089 0.000 1.402 119 R CB -1.115 29.134 30.300 -0.084 0.000 1.375 119 R HN 0.607 nan 8.270 nan 0.000 0.786 120 S N -0.246 115.391 115.700 -0.106 0.000 2.776 120 S HA 0.512 4.981 4.470 -0.002 0.000 0.292 120 S C 0.642 175.073 174.600 -0.282 0.000 1.187 120 S CA -1.019 57.062 58.200 -0.198 0.000 0.834 120 S CB 1.066 64.251 63.200 -0.025 0.000 1.199 120 S HN 0.430 nan 8.310 nan 0.000 0.514 121 I N -2.142 118.130 120.570 -0.496 0.000 4.025 121 I HA 0.423 4.592 4.170 -0.002 0.000 0.336 121 I C 0.494 176.464 176.117 -0.244 0.000 1.390 121 I CA -0.162 60.970 61.300 -0.279 0.000 1.099 121 I CB -0.376 37.492 38.000 -0.220 0.000 1.049 121 I HN 0.398 nan 8.210 nan 0.000 0.394 122 F N 1.746 121.764 119.950 0.113 0.000 2.171 122 F HA -0.080 4.446 4.527 -0.002 0.000 0.300 122 F C 2.720 178.521 175.800 0.001 0.000 1.090 122 F CA 1.271 59.240 58.000 -0.052 0.000 1.293 122 F CB -1.038 37.936 39.000 -0.043 0.000 1.013 122 F HN 0.095 nan 8.300 nan 0.000 0.486 123 S N -0.450 115.562 115.700 0.520 0.000 2.368 123 S HA -0.152 4.317 4.470 -0.002 0.000 0.224 123 S C 1.902 176.700 174.600 0.330 0.000 1.029 123 S CA 1.207 59.732 58.200 0.541 0.000 0.988 123 S CB -0.180 63.350 63.200 0.551 0.000 0.838 123 S HN 0.307 nan 8.310 nan 0.000 0.462 124 E N 0.578 120.912 120.200 0.224 0.000 2.077 124 E HA -0.089 4.260 4.350 -0.002 0.000 0.193 124 E C 2.223 178.894 176.600 0.119 0.000 0.989 124 E CA 1.039 57.543 56.400 0.172 0.000 0.800 124 E CB -0.572 29.252 29.700 0.206 0.000 0.746 124 E HN 0.454 nan 8.360 nan 0.000 0.452 125 C N 0.091 119.361 119.300 -0.049 0.000 2.413 125 C HA -0.135 4.324 4.460 -0.002 0.000 0.277 125 C C 2.294 177.091 174.990 -0.321 0.000 1.228 125 C CA 0.606 59.463 59.018 -0.268 0.000 1.731 125 C CB -1.111 26.313 27.740 -0.526 0.000 2.042 125 C HN 0.340 nan 8.230 nan 0.000 0.468 126 F N -0.489 119.412 119.950 -0.081 0.000 2.365 126 F HA -0.058 4.467 4.527 -0.002 0.000 0.300 126 F C 2.194 178.008 175.800 0.024 0.000 1.090 126 F CA 1.284 59.206 58.000 -0.130 0.000 1.408 126 F CB -1.045 37.817 39.000 -0.230 0.000 1.060 126 F HN 0.329 nan 8.300 nan 0.000 0.534 127 Y N 0.879 121.249 120.300 0.117 0.000 2.163 127 Y HA -0.245 4.303 4.550 -0.002 0.000 0.288 127 Y C 2.847 178.796 175.900 0.081 0.000 1.136 127 Y CA 2.056 60.227 58.100 0.119 0.000 1.147 127 Y CB -0.749 37.783 38.460 0.120 0.000 0.987 127 Y HN 0.089 nan 8.280 nan 0.000 0.509 128 T N -0.798 113.881 114.554 0.209 0.000 2.962 128 T HA -0.180 4.168 4.350 -0.002 0.000 0.270 128 T C 1.760 176.480 174.700 0.034 0.000 1.088 128 T CA 1.563 63.715 62.100 0.088 0.000 1.127 128 T CB -0.360 68.552 68.868 0.073 0.000 0.883 128 T HN 0.460 nan 8.240 nan 0.000 0.493 129 M N 0.544 120.160 119.600 0.027 0.000 2.156 129 M HA 0.139 4.618 4.480 -0.002 0.000 0.264 129 M C 2.930 179.374 176.300 0.241 0.000 1.067 129 M CA 1.578 56.937 55.300 0.098 0.000 1.131 129 M CB -0.564 31.998 32.600 -0.063 0.000 1.368 129 M HN 0.500 nan 8.290 nan 0.000 0.416 130 A N 0.199 123.104 122.820 0.141 0.000 1.930 130 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 130 A C 2.089 179.657 177.584 -0.026 0.000 1.175 130 A CA 1.173 53.272 52.037 0.103 0.000 0.627 130 A CB -0.384 18.638 19.000 0.036 0.000 0.815 130 A HN 0.323 nan 8.150 nan 0.000 0.443 131 M N 0.299 119.835 119.600 -0.107 0.000 2.086 131 M HA -0.145 4.333 4.480 -0.002 0.000 0.261 131 M C 2.031 178.367 176.300 0.060 0.000 1.067 131 M CA 1.563 56.805 55.300 -0.098 0.000 1.116 131 M CB -1.729 30.791 32.600 -0.134 0.000 1.348 131 M HN 0.683 nan 8.290 nan 0.000 0.407 132 N N 0.081 118.857 118.700 0.127 0.000 2.166 132 N HA -0.181 4.557 4.740 -0.002 0.000 0.186 132 N C 1.449 177.136 175.510 0.296 0.000 1.019 132 N CA 1.073 54.275 53.050 0.253 0.000 0.856 132 N CB 0.198 38.820 38.487 0.225 0.000 0.993 132 N HN 0.294 nan 8.380 nan 0.000 0.426 133 E N 0.978 121.281 120.200 0.171 0.000 2.107 133 E HA -0.045 4.303 4.350 -0.002 0.000 0.191 133 E C 2.213 178.792 176.600 -0.036 0.000 0.982 133 E CA 0.188 56.626 56.400 0.063 0.000 0.809 133 E CB -0.159 29.536 29.700 -0.008 0.000 0.756 133 E HN 0.453 nan 8.360 nan 0.000 0.459 134 L N -0.395 120.752 121.223 -0.127 0.000 2.083 134 L HA -0.171 4.168 4.340 -0.002 0.000 0.209 134 L C 2.382 179.155 176.870 -0.163 0.000 1.083 134 L CA 1.194 55.816 54.840 -0.365 0.000 0.752 134 L CB -0.371 41.124 42.059 -0.940 0.000 0.899 134 L HN 0.271 nan 8.230 nan 0.000 0.433 135 W N 1.185 122.436 121.300 -0.081 0.000 2.388 135 W HA -0.164 4.495 4.660 -0.002 0.000 0.294 135 W C 2.534 179.097 176.519 0.073 0.000 1.212 135 W CA 1.116 58.538 57.345 0.129 0.000 1.271 135 W CB -0.169 29.383 29.460 0.153 0.000 1.126 135 W HN -0.081 nan 8.180 nan 0.000 0.535 136 R N 0.119 120.482 120.500 -0.228 0.000 2.152 136 R HA -0.111 4.228 4.340 -0.002 0.000 0.232 136 R C 1.797 177.914 176.300 -0.305 0.000 1.117 136 R CA 1.862 57.681 56.100 -0.469 0.000 0.981 136 R CB -0.766 29.427 30.300 -0.178 0.000 0.870 136 R HN 0.369 nan 8.270 nan 0.000 0.451 137 V N -2.645 117.159 119.914 -0.184 0.000 3.621 137 V HA 0.132 4.250 4.120 -0.002 0.000 0.285 137 V C 1.431 177.467 176.094 -0.097 0.000 1.346 137 V CA 1.015 63.245 62.300 -0.116 0.000 1.104 137 V CB 0.484 32.199 31.823 -0.179 0.000 0.913 137 V HN 0.294 nan 8.190 nan 0.000 0.432 138 T N -4.567 109.939 114.554 -0.080 0.000 2.993 138 T HA 0.537 4.886 4.350 -0.002 0.000 0.260 138 T C 1.358 176.066 174.700 0.012 0.000 0.939 138 T CA 1.103 63.211 62.100 0.013 0.000 0.886 138 T CB 0.672 69.628 68.868 0.146 0.000 1.209 138 T HN 1.674 nan 8.240 nan 0.000 0.518 139 A N 1.323 124.077 122.820 -0.110 0.000 3.153 139 A HA -0.176 4.143 4.320 -0.002 0.000 0.265 139 A C 0.170 177.889 177.584 0.225 0.000 1.212 139 A CA 1.182 53.142 52.037 -0.128 0.000 1.018 139 A CB -2.409 16.545 19.000 -0.076 0.000 1.130 139 A HN 0.735 nan 8.150 nan 0.000 0.873 140 E N -0.373 120.011 120.200 0.305 0.000 2.265 140 E HA 0.391 4.739 4.350 -0.002 0.000 0.272 140 E C 1.474 178.274 176.600 0.332 0.000 1.067 140 E CA 0.236 56.771 56.400 0.225 0.000 0.900 140 E CB 0.798 30.514 29.700 0.027 0.000 1.017 140 E HN 0.770 nan 8.360 nan 0.000 0.431 141 A N 5.109 128.049 122.820 0.201 0.000 1.978 141 A HA -0.249 4.070 4.320 -0.002 0.000 0.220 141 A C 2.089 179.655 177.584 -0.030 0.000 1.170 141 A CA 1.508 53.593 52.037 0.081 0.000 0.636 141 A CB -0.386 18.631 19.000 0.029 0.000 0.810 141 A HN 0.651 nan 8.150 nan 0.000 0.448 142 R N -1.208 119.237 120.500 -0.091 0.000 2.159 142 R HA -0.181 4.157 4.340 -0.002 0.000 0.237 142 R C 1.563 177.801 176.300 -0.102 0.000 1.131 142 R CA 1.922 57.933 56.100 -0.149 0.000 0.982 142 R CB -0.607 29.550 30.300 -0.238 0.000 0.868 142 R HN 0.644 nan 8.270 nan 0.000 0.453 143 Y N 0.548 120.881 120.300 0.055 0.000 2.243 143 Y HA -0.143 4.406 4.550 -0.002 0.000 0.293 143 Y C 2.759 178.652 175.900 -0.011 0.000 1.124 143 Y CA 1.077 59.212 58.100 0.058 0.000 1.159 143 Y CB -0.021 38.538 38.460 0.165 0.000 1.008 143 Y HN 0.192 nan 8.280 nan 0.000 0.527 144 Q N 0.395 120.202 119.800 0.011 0.000 2.172 144 Q HA -0.123 4.216 4.340 -0.002 0.000 0.200 144 Q C 2.035 177.924 176.000 -0.185 0.000 0.964 144 Q CA 1.917 57.538 55.803 -0.304 0.000 0.855 144 Q CB -0.136 27.982 28.738 -1.033 0.000 0.918 144 Q HN 0.260 nan 8.270 nan 0.000 0.444 145 S N 0.538 116.163 115.700 -0.126 0.000 2.355 145 S HA -0.120 4.348 4.470 -0.002 0.000 0.222 145 S C 1.638 176.226 174.600 -0.019 0.000 1.031 145 S CA 1.064 59.215 58.200 -0.081 0.000 0.993 145 S CB -0.321 62.838 63.200 -0.068 0.000 0.859 145 S HN 0.362 nan 8.310 nan 0.000 0.453 146 E N 1.700 121.917 120.200 0.029 0.000 2.058 146 E HA -0.100 4.249 4.350 -0.002 0.000 0.194 146 E C 2.351 179.025 176.600 0.123 0.000 0.997 146 E CA 1.295 57.761 56.400 0.109 0.000 0.801 146 E CB -0.593 29.198 29.700 0.152 0.000 0.746 146 E HN 0.469 nan 8.360 nan 0.000 0.450 147 A N 0.614 123.472 122.820 0.064 0.000 1.858 147 A HA -0.145 4.173 4.320 -0.002 0.000 0.216 147 A C 2.638 180.243 177.584 0.036 0.000 1.190 147 A CA 1.727 53.796 52.037 0.053 0.000 0.617 147 A CB -0.799 18.221 19.000 0.033 0.000 0.827 147 A HN 0.154 nan 8.150 nan 0.000 0.443 148 V N 0.678 120.593 119.914 0.001 0.000 2.343 148 V HA -0.236 3.883 4.120 -0.002 0.000 0.247 148 V C 2.159 178.262 176.094 0.015 0.000 1.051 148 V CA 2.339 64.653 62.300 0.024 0.000 1.036 148 V CB -0.893 30.920 31.823 -0.017 0.000 0.654 148 V HN 0.496 nan 8.190 nan 0.000 0.451 149 D N -0.608 119.789 120.400 -0.006 0.000 2.117 149 D HA -0.184 4.455 4.640 -0.002 0.000 0.197 149 D C 1.971 178.238 176.300 -0.055 0.000 0.987 149 D CA 1.331 55.311 54.000 -0.034 0.000 0.829 149 D CB -0.284 40.498 40.800 -0.031 0.000 0.961 149 D HN 0.346 nan 8.370 nan 0.000 0.460 150 M N -0.001 119.598 119.600 -0.001 0.000 2.175 150 M HA -0.055 4.424 4.480 -0.002 0.000 0.264 150 M C 1.890 178.149 176.300 -0.068 0.000 1.063 150 M CA 1.067 56.356 55.300 -0.018 0.000 1.119 150 M CB -0.336 32.350 32.600 0.144 0.000 1.377 150 M HN -0.009 nan 8.290 nan 0.000 0.415 151 M N 0.580 120.150 119.600 -0.049 0.000 2.080 151 M HA -0.209 4.270 4.480 -0.002 0.000 0.260 151 M C 1.230 177.444 176.300 -0.142 0.000 1.068 151 M CA 2.112 57.341 55.300 -0.118 0.000 1.109 151 M CB -0.909 31.609 32.600 -0.138 0.000 1.342 151 M HN 0.289 nan 8.290 nan 0.000 0.405 152 D N -0.590 119.759 120.400 -0.085 0.000 2.219 152 D HA -0.155 4.484 4.640 -0.002 0.000 0.205 152 D C 1.985 178.185 176.300 -0.167 0.000 0.970 152 D CA 0.857 54.810 54.000 -0.079 0.000 0.851 152 D CB -0.402 40.377 40.800 -0.035 0.000 0.943 152 D HN 0.423 nan 8.370 nan 0.000 0.488 153 Q N 0.720 120.363 119.800 -0.262 0.000 2.016 153 Q HA -0.036 4.303 4.340 -0.002 0.000 0.200 153 Q C 2.295 177.990 176.000 -0.508 0.000 0.978 153 Q CA 0.921 56.411 55.803 -0.521 0.000 0.833 153 Q CB -0.520 27.832 28.738 -0.643 0.000 0.895 153 Q HN 0.345 nan 8.270 nan 0.000 0.427 154 I N -0.456 119.965 120.570 -0.248 0.000 2.163 154 I HA -0.292 3.877 4.170 -0.002 0.000 0.243 154 I C 2.220 178.334 176.117 -0.004 0.000 1.085 154 I CA 0.975 62.277 61.300 0.003 0.000 1.347 154 I CB -0.446 37.552 38.000 -0.003 0.000 1.044 154 I HN -0.004 nan 8.210 nan 0.000 0.408 155 V N 0.567 120.428 119.914 -0.087 0.000 2.255 155 V HA -0.374 3.745 4.120 -0.002 0.000 0.247 155 V C 2.528 178.581 176.094 -0.069 0.000 1.051 155 V CA 2.578 64.819 62.300 -0.099 0.000 1.018 155 V CB -1.003 30.753 31.823 -0.112 0.000 0.641 155 V HN 0.506 nan 8.190 nan 0.000 0.445 156 H N -1.201 117.781 119.070 -0.145 0.000 2.289 156 H HA -0.255 4.299 4.556 -0.002 0.000 0.296 156 H C 2.045 177.374 175.328 0.001 0.000 1.091 156 H CA 2.557 58.532 56.048 -0.122 0.000 1.274 156 H CB -0.282 29.355 29.762 -0.207 0.000 1.364 156 H HN 0.425 nan 8.280 nan 0.000 0.490 157 W N 0.224 121.467 121.300 -0.095 0.000 2.321 157 W HA -0.168 4.491 4.660 -0.002 0.000 0.306 157 W C 2.557 178.977 176.519 -0.164 0.000 1.217 157 W CA 1.579 58.845 57.345 -0.132 0.000 1.257 157 W CB -1.006 28.421 29.460 -0.055 0.000 1.145 157 W HN 0.176 nan 8.180 nan 0.000 0.509 158 V N 0.683 120.655 119.914 0.098 0.000 2.407 158 V HA -0.169 3.950 4.120 -0.002 0.000 0.245 158 V C 2.156 178.209 176.094 -0.069 0.000 1.041 158 V CA 1.747 64.056 62.300 0.015 0.000 1.040 158 V CB -0.544 31.290 31.823 0.018 0.000 0.671 158 V HN 0.098 nan 8.190 nan 0.000 0.455 159 R N -0.121 120.274 120.500 -0.175 0.000 2.334 159 R HA 0.227 4.566 4.340 -0.002 0.000 0.212 159 R C 0.980 177.152 176.300 -0.213 0.000 0.897 159 R CA 0.359 56.309 56.100 -0.250 0.000 1.056 159 R CB 0.386 30.441 30.300 -0.408 0.000 1.046 159 R HN 0.526 nan 8.270 nan 0.000 0.513 160 E N -0.204 119.832 120.200 -0.274 0.000 2.576 160 E HA 0.111 4.459 4.350 -0.002 0.000 0.214 160 E C -0.537 175.866 176.600 -0.329 0.000 0.859 160 E CA -0.034 56.178 56.400 -0.313 0.000 1.399 160 E CB 1.038 30.517 29.700 -0.368 0.000 1.374 160 E HN -0.052 nan 8.360 nan 0.000 0.718 161 D N 0.332 120.520 120.400 -0.353 0.000 2.584 161 D HA 0.079 4.718 4.640 -0.002 0.000 0.238 161 D C -2.205 174.107 176.300 0.020 0.000 1.302 161 D CA -1.417 52.507 54.000 -0.126 0.000 0.884 161 D CB 1.402 42.175 40.800 -0.045 0.000 1.456 161 D HN -0.158 nan 8.370 nan 0.000 0.528 162 P HA -0.127 nan 4.420 nan 0.000 0.220 162 P C 1.387 178.641 177.300 -0.077 0.000 1.144 162 P CA 0.676 63.748 63.100 -0.046 0.000 0.800 162 P CB 0.459 32.136 31.700 -0.040 0.000 0.772 163 S N 0.549 116.241 115.700 -0.013 0.000 2.365 163 S HA -0.145 4.323 4.470 -0.002 0.000 0.225 163 S C 2.291 176.875 174.600 -0.026 0.000 1.039 163 S CA 1.652 59.848 58.200 -0.005 0.000 1.033 163 S CB -1.624 61.602 63.200 0.044 0.000 0.887 163 S HN 0.348 nan 8.310 nan 0.000 0.447 164 G N 0.632 109.471 108.800 0.065 0.000 2.601 164 G HA2 -0.092 3.866 3.960 -0.002 0.000 0.214 164 G HA3 -0.092 3.866 3.960 -0.002 0.000 0.214 164 G C 1.008 175.635 174.900 -0.455 0.000 1.132 164 G CA 0.633 45.806 45.100 0.121 0.000 0.761 164 G HN 0.497 nan 8.290 nan 0.000 0.550 165 L N -1.124 119.781 121.223 -0.529 0.000 2.672 165 L HA 0.426 4.765 4.340 -0.002 0.000 0.236 165 L C 1.484 178.202 176.870 -0.254 0.000 1.092 165 L CA 0.370 54.887 54.840 -0.537 0.000 0.887 165 L CB 0.119 41.843 42.059 -0.557 0.000 1.168 165 L HN 0.352 nan 8.230 nan 0.000 0.502 166 G N 1.474 110.176 108.800 -0.164 0.000 2.587 166 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.212 166 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.212 166 G C 0.035 174.890 174.900 -0.074 0.000 1.327 166 G CA -0.285 44.761 45.100 -0.091 0.000 0.898 166 G HN 0.546 nan 8.290 nan 0.000 0.551 167 R N -2.031 118.440 120.500 -0.049 0.000 3.264 167 R HA -0.139 4.200 4.340 -0.002 0.000 0.251 167 R C -2.188 174.095 176.300 -0.029 0.000 0.971 167 R CA 1.134 57.212 56.100 -0.036 0.000 0.658 167 R CB -2.990 27.287 30.300 -0.038 0.000 1.095 167 R HN 0.759 nan 8.270 nan 0.000 0.443 168 P HA -0.127 nan 4.420 nan 0.000 0.257 168 P C 0.113 177.406 177.300 -0.012 0.000 1.144 168 P CA 0.702 63.793 63.100 -0.015 0.000 0.761 168 P CB 0.436 32.131 31.700 -0.010 0.000 0.734 169 Q N 2.331 122.125 119.800 -0.010 0.000 2.300 169 Q HA 0.067 4.406 4.340 -0.002 0.000 0.280 169 Q C 0.064 176.061 176.000 -0.005 0.000 1.033 169 Q CA -0.084 55.715 55.803 -0.007 0.000 0.903 169 Q CB 0.525 29.261 28.738 -0.004 0.000 1.195 169 Q HN 0.341 nan 8.270 nan 0.000 0.386 170 L N 5.355 126.574 121.223 -0.006 0.000 2.436 170 L HA 0.119 4.458 4.340 -0.002 0.000 0.265 170 L C -0.997 175.870 176.870 -0.004 0.000 1.168 170 L CA -1.614 53.223 54.840 -0.005 0.000 0.815 170 L CB -0.107 41.948 42.059 -0.006 0.000 1.109 170 L HN 0.494 nan 8.230 nan 0.000 0.462 171 P HA -0.059 nan 4.420 nan 0.000 0.231 171 P C 1.034 178.331 177.300 -0.004 0.000 1.158 171 P CA 0.823 63.921 63.100 -0.003 0.000 0.763 171 P CB 0.381 32.080 31.700 -0.003 0.000 0.805 172 G N -0.248 108.549 108.800 -0.005 0.000 2.656 172 G HA2 0.257 4.215 3.960 -0.002 0.000 0.211 172 G HA3 0.257 4.215 3.960 -0.002 0.000 0.211 172 G C 0.640 175.536 174.900 -0.007 0.000 1.137 172 G CA 0.332 45.428 45.100 -0.006 0.000 0.802 172 G HN 0.441 nan 8.290 nan 0.000 0.527 173 A N 0.935 123.751 122.820 -0.006 0.000 2.488 173 A HA 0.496 4.815 4.320 -0.002 0.000 0.249 173 A C 0.495 178.078 177.584 -0.003 0.000 1.083 173 A CA -0.259 51.774 52.037 -0.006 0.000 0.768 173 A CB 0.213 19.209 19.000 -0.005 0.000 1.017 173 A HN 0.738 nan 8.150 nan 0.000 0.496 174 V N 1.217 121.130 119.914 -0.002 0.000 2.530 174 V HA 0.548 4.666 4.120 -0.002 0.000 0.282 174 V C 0.865 176.963 176.094 0.007 0.000 1.048 174 V CA -0.532 61.769 62.300 0.001 0.000 0.997 174 V CB 0.358 32.180 31.823 -0.002 0.000 0.987 174 V HN 1.212 nan 8.190 nan 0.000 0.477 175 A N 4.426 127.251 122.820 0.009 0.000 2.473 175 A HA 0.535 4.854 4.320 -0.002 0.000 0.282 175 A C 0.729 178.325 177.584 0.021 0.000 1.163 175 A CA 0.496 52.543 52.037 0.016 0.000 0.827 175 A CB -0.714 18.297 19.000 0.017 0.000 1.098 175 A HN 1.569 nan 8.150 nan 0.000 0.515 176 S N 2.094 117.812 115.700 0.031 0.000 2.526 176 S HA 0.571 5.040 4.470 -0.002 0.000 0.293 176 S C -0.685 173.958 174.600 0.072 0.000 1.092 176 S CA -0.738 57.486 58.200 0.040 0.000 0.980 176 S CB 1.576 64.799 63.200 0.038 0.000 1.048 176 S HN 0.771 nan 8.310 nan 0.000 0.483 177 E N 1.670 121.922 120.200 0.086 0.000 2.197 177 E HA 0.410 4.758 4.350 -0.002 0.000 0.281 177 E C -0.600 176.147 176.600 0.245 0.000 0.995 177 E CA -0.477 56.012 56.400 0.149 0.000 0.808 177 E CB 1.216 31.006 29.700 0.148 0.000 1.093 177 E HN 0.660 nan 8.360 nan 0.000 0.394 178 S N 4.739 120.580 115.700 0.234 0.000 2.525 178 S HA 0.113 4.581 4.470 -0.002 0.000 0.278 178 S C 1.162 175.880 174.600 0.196 0.000 1.234 178 S CA -0.568 57.787 58.200 0.257 0.000 1.058 178 S CB 1.070 64.423 63.200 0.255 0.000 0.983 178 S HN 0.854 nan 8.310 nan 0.000 0.495 179 M N 4.571 124.197 119.600 0.043 0.000 2.149 179 M HA -0.125 4.354 4.480 -0.002 0.000 0.261 179 M C 2.111 178.342 176.300 -0.115 0.000 1.064 179 M CA 2.026 57.124 55.300 -0.336 0.000 1.102 179 M CB -0.718 31.593 32.600 -0.480 0.000 1.369 179 M HN 0.963 nan 8.290 nan 0.000 0.408 180 A N -0.396 122.472 122.820 0.079 0.000 1.997 180 A HA -0.166 4.152 4.320 -0.002 0.000 0.221 180 A C 2.001 179.725 177.584 0.234 0.000 1.172 180 A CA 2.012 54.141 52.037 0.153 0.000 0.645 180 A CB -1.091 18.122 19.000 0.355 0.000 0.813 180 A HN 0.429 nan 8.150 nan 0.000 0.454 181 V N 0.402 120.453 119.914 0.227 0.000 2.223 181 V HA -0.171 3.948 4.120 -0.002 0.000 0.244 181 V C 0.037 176.177 176.094 0.077 0.000 1.045 181 V CA 2.465 64.856 62.300 0.151 0.000 1.000 181 V CB -1.704 30.197 31.823 0.129 0.000 0.635 181 V HN 0.377 nan 8.190 nan 0.000 0.445 182 P HA -0.179 nan 4.420 nan 0.000 0.216 182 P C 1.943 179.195 177.300 -0.080 0.000 1.153 182 P CA 1.743 64.818 63.100 -0.042 0.000 0.858 182 P CB -0.141 31.454 31.700 -0.175 0.000 0.789 183 M N -2.242 117.309 119.600 -0.082 0.000 2.065 183 M HA -0.196 4.283 4.480 -0.002 0.000 0.259 183 M C 2.060 178.314 176.300 -0.077 0.000 1.071 183 M CA 1.915 57.190 55.300 -0.042 0.000 1.109 183 M CB -0.812 31.755 32.600 -0.055 0.000 1.313 183 M HN -0.090 nan 8.290 nan 0.000 0.408 184 M N 0.139 119.714 119.600 -0.042 0.000 2.108 184 M HA -0.137 4.342 4.480 -0.002 0.000 0.261 184 M C 2.170 178.342 176.300 -0.213 0.000 1.066 184 M CA 1.709 56.929 55.300 -0.134 0.000 1.107 184 M CB -1.266 31.319 32.600 -0.025 0.000 1.356 184 M HN 0.318 nan 8.290 nan 0.000 0.406 185 L N -0.741 120.405 121.223 -0.129 0.000 2.046 185 L HA -0.229 4.110 4.340 -0.002 0.000 0.208 185 L C 2.358 179.122 176.870 -0.176 0.000 1.077 185 L CA 0.818 55.583 54.840 -0.126 0.000 0.747 185 L CB -0.559 41.500 42.059 0.001 0.000 0.896 185 L HN 0.255 nan 8.230 nan 0.000 0.432 186 L N -0.526 120.579 121.223 -0.197 0.000 2.083 186 L HA -0.255 4.083 4.340 -0.002 0.000 0.209 186 L C 2.621 179.272 176.870 -0.365 0.000 1.083 186 L CA 1.668 56.352 54.840 -0.259 0.000 0.752 186 L CB -0.875 41.001 42.059 -0.305 0.000 0.899 186 L HN 0.333 nan 8.230 nan 0.000 0.433 187 C N -0.804 118.168 119.300 -0.547 0.000 2.413 187 C HA -0.178 4.280 4.460 -0.002 0.000 0.276 187 C C 2.783 177.549 174.990 -0.373 0.000 1.248 187 C CA 1.053 59.645 59.018 -0.710 0.000 1.742 187 C CB -1.050 26.191 27.740 -0.832 0.000 2.017 187 C HN 0.602 nan 8.230 nan 0.000 0.481 188 L N 0.239 121.280 121.223 -0.304 0.000 2.017 188 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 188 L C 2.667 179.452 176.870 -0.141 0.000 1.073 188 L CA 1.596 56.307 54.840 -0.214 0.000 0.745 188 L CB -0.738 41.177 42.059 -0.240 0.000 0.894 188 L HN 0.239 nan 8.230 nan 0.000 0.432 189 V N -0.026 119.799 119.914 -0.149 0.000 2.282 189 V HA -0.334 3.784 4.120 -0.002 0.000 0.249 189 V C 2.362 178.484 176.094 0.047 0.000 1.057 189 V CA 2.057 64.335 62.300 -0.036 0.000 1.032 189 V CB -0.571 31.255 31.823 0.003 0.000 0.645 189 V HN 0.479 nan 8.190 nan 0.000 0.447 190 E N -0.390 119.809 120.200 -0.002 0.000 2.051 190 E HA -0.302 4.047 4.350 -0.002 0.000 0.192 190 E C 2.256 178.908 176.600 0.088 0.000 0.991 190 E CA 1.442 57.873 56.400 0.052 0.000 0.799 190 E CB -0.189 29.512 29.700 0.000 0.000 0.748 190 E HN 0.595 nan 8.360 nan 0.000 0.449 191 Q N 1.210 121.048 119.800 0.064 0.000 2.030 191 Q HA -0.178 4.161 4.340 -0.002 0.000 0.204 191 Q C 2.025 178.128 176.000 0.172 0.000 0.986 191 Q CA 1.649 57.543 55.803 0.151 0.000 0.843 191 Q CB -0.313 28.505 28.738 0.134 0.000 0.904 191 Q HN 0.291 nan 8.270 nan 0.000 0.420 192 L N -0.820 120.489 121.223 0.143 0.000 2.056 192 L HA -0.023 4.316 4.340 -0.002 0.000 0.207 192 L C 2.386 179.369 176.870 0.188 0.000 1.078 192 L CA 1.107 56.055 54.840 0.179 0.000 0.749 192 L CB -0.989 41.192 42.059 0.203 0.000 0.901 192 L HN 0.455 nan 8.230 nan 0.000 0.433 193 G N -0.644 108.262 108.800 0.175 0.000 2.509 193 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.218 193 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.218 193 G C 0.583 175.565 174.900 0.137 0.000 1.124 193 G CA -0.203 44.986 45.100 0.149 0.000 0.776 193 G HN 0.333 nan 8.290 nan 0.000 0.547 194 E N 0.597 120.887 120.200 0.149 0.000 2.606 194 E HA 0.106 4.454 4.350 -0.002 0.000 0.248 194 E C 0.218 176.901 176.600 0.139 0.000 1.005 194 E CA 0.074 56.557 56.400 0.139 0.000 0.946 194 E CB 0.051 29.843 29.700 0.153 0.000 0.928 194 E HN 0.307 nan 8.360 nan 0.000 0.494 195 E N 2.300 122.565 120.200 0.107 0.000 2.403 195 E HA -0.259 4.090 4.350 -0.002 0.000 0.241 195 E C -0.988 175.689 176.600 0.130 0.000 1.201 195 E CA 1.069 57.528 56.400 0.098 0.000 0.721 195 E CB -0.584 29.164 29.700 0.081 0.000 1.245 195 E HN 0.363 nan 8.360 nan 0.000 0.392 196 D N -0.731 119.745 120.400 0.128 0.000 2.328 196 D HA 0.124 4.763 4.640 -0.002 0.000 0.243 196 D C 0.417 176.767 176.300 0.083 0.000 1.324 196 D CA -0.244 53.837 54.000 0.136 0.000 0.966 196 D CB 0.518 41.428 40.800 0.183 0.000 1.324 196 D HN 0.113 nan 8.370 nan 0.000 0.549 197 E N 1.303 121.540 120.200 0.061 0.000 2.085 197 E HA -0.178 4.171 4.350 -0.002 0.000 0.194 197 E C 1.413 178.019 176.600 0.010 0.000 0.994 197 E CA 0.950 57.370 56.400 0.034 0.000 0.801 197 E CB 0.446 30.162 29.700 0.027 0.000 0.743 197 E HN 0.525 nan 8.360 nan 0.000 0.453 198 E N 0.518 120.720 120.200 0.003 0.000 2.023 198 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 198 E C 2.179 178.730 176.600 -0.082 0.000 1.003 198 E CA 0.924 57.301 56.400 -0.039 0.000 0.809 198 E CB -0.066 29.611 29.700 -0.039 0.000 0.755 198 E HN 0.247 nan 8.360 nan 0.000 0.449 199 L N 0.209 121.394 121.223 -0.063 0.000 2.046 199 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 199 L C 2.626 179.470 176.870 -0.044 0.000 1.077 199 L CA 1.229 56.010 54.840 -0.098 0.000 0.747 199 L CB -0.823 41.251 42.059 0.024 0.000 0.896 199 L HN 0.163 nan 8.230 nan 0.000 0.432 200 A N 0.250 123.088 122.820 0.030 0.000 1.883 200 A HA -0.158 4.161 4.320 -0.002 0.000 0.217 200 A C 2.374 179.974 177.584 0.027 0.000 1.186 200 A CA 1.880 53.956 52.037 0.065 0.000 0.624 200 A CB -1.122 17.915 19.000 0.061 0.000 0.822 200 A HN 0.453 nan 8.150 nan 0.000 0.444 201 G N -1.306 107.482 108.800 -0.020 0.000 2.408 201 G HA2 -0.190 3.768 3.960 -0.002 0.000 0.217 201 G HA3 -0.190 3.768 3.960 -0.002 0.000 0.217 201 G C 1.745 176.594 174.900 -0.085 0.000 1.150 201 G CA 0.720 45.799 45.100 -0.035 0.000 0.776 201 G HN 0.386 nan 8.290 nan 0.000 0.542 202 R N -0.491 119.889 120.500 -0.200 0.000 2.091 202 R HA -0.071 4.268 4.340 -0.002 0.000 0.238 202 R C 1.202 177.275 176.300 -0.378 0.000 1.136 202 R CA 1.022 56.895 56.100 -0.380 0.000 0.959 202 R CB -0.309 29.588 30.300 -0.671 0.000 0.856 202 R HN 0.475 nan 8.270 nan 0.000 0.437 203 Y N -0.749 119.561 120.300 0.017 0.000 2.571 203 Y HA 0.303 4.852 4.550 -0.002 0.000 0.275 203 Y C 1.590 177.530 175.900 0.066 0.000 1.179 203 Y CA -0.309 57.809 58.100 0.030 0.000 1.242 203 Y CB -0.278 38.197 38.460 0.025 0.000 1.126 203 Y HN 0.047 nan 8.280 nan 0.000 0.524 204 A N 0.126 123.042 122.820 0.160 0.000 1.865 204 A HA -0.258 4.061 4.320 -0.002 0.000 0.217 204 A C 2.169 179.867 177.584 0.190 0.000 1.191 204 A CA 1.839 53.969 52.037 0.156 0.000 0.623 204 A CB -0.421 18.628 19.000 0.082 0.000 0.826 204 A HN 0.479 nan 8.150 nan 0.000 0.444 205 Q N -1.282 118.606 119.800 0.147 0.000 2.135 205 Q HA -0.186 4.152 4.340 -0.002 0.000 0.204 205 Q C 2.101 178.246 176.000 0.241 0.000 0.981 205 Q CA 1.505 57.403 55.803 0.159 0.000 0.856 205 Q CB -0.335 28.459 28.738 0.092 0.000 0.902 205 Q HN 0.587 nan 8.270 nan 0.000 0.425 206 L N 0.338 121.695 121.223 0.224 0.000 2.056 206 L HA -0.019 4.320 4.340 -0.002 0.000 0.207 206 L C 2.156 179.190 176.870 0.273 0.000 1.078 206 L CA 2.000 56.976 54.840 0.227 0.000 0.749 206 L CB -0.887 41.256 42.059 0.141 0.000 0.901 206 L HN 0.154 nan 8.230 nan 0.000 0.433 207 G N -1.598 107.348 108.800 0.242 0.000 2.440 207 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.218 207 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.218 207 G C 1.692 176.680 174.900 0.147 0.000 1.154 207 G CA 0.989 46.201 45.100 0.187 0.000 0.767 207 G HN 0.597 nan 8.290 nan 0.000 0.552 208 H N -0.968 118.227 119.070 0.208 0.000 2.299 208 H HA -0.135 4.420 4.556 -0.002 0.000 0.302 208 H C 2.339 177.743 175.328 0.126 0.000 1.078 208 H CA 1.760 57.920 56.048 0.188 0.000 1.323 208 H CB -0.374 29.501 29.762 0.189 0.000 1.381 208 H HN 0.453 nan 8.280 nan 0.000 0.498 209 W N 1.615 122.990 121.300 0.125 0.000 2.318 209 W HA -0.266 4.392 4.660 -0.002 0.000 0.313 209 W C 2.726 179.211 176.519 -0.057 0.000 1.221 209 W CA 2.213 59.584 57.345 0.043 0.000 1.266 209 W CB -0.896 28.607 29.460 0.071 0.000 1.150 209 W HN 0.227 nan 8.180 nan 0.000 0.496 210 C N 0.454 119.775 119.300 0.035 0.000 2.413 210 C HA -0.148 4.310 4.460 -0.002 0.000 0.276 210 C C 3.093 177.866 174.990 -0.361 0.000 1.236 210 C CA 1.906 60.795 59.018 -0.216 0.000 1.735 210 C CB -1.723 25.991 27.740 -0.043 0.000 2.031 210 C HN 0.526 nan 8.230 nan 0.000 0.474 211 A N 0.086 122.689 122.820 -0.360 0.000 1.933 211 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 211 A C 2.291 179.690 177.584 -0.309 0.000 1.175 211 A CA 1.245 53.066 52.037 -0.360 0.000 0.628 211 A CB -0.498 18.282 19.000 -0.366 0.000 0.814 211 A HN 0.612 nan 8.150 nan 0.000 0.444 212 R N -0.893 119.379 120.500 -0.381 0.000 2.096 212 R HA -0.063 4.275 4.340 -0.002 0.000 0.235 212 R C 2.288 178.410 176.300 -0.297 0.000 1.127 212 R CA 1.030 56.930 56.100 -0.333 0.000 0.968 212 R CB -0.300 29.772 30.300 -0.379 0.000 0.861 212 R HN 0.359 nan 8.270 nan 0.000 0.440 213 R N 0.807 121.029 120.500 -0.463 0.000 2.066 213 R HA -0.004 4.334 4.340 -0.002 0.000 0.232 213 R C 2.325 178.576 176.300 -0.081 0.000 1.131 213 R CA 1.026 56.891 56.100 -0.391 0.000 0.955 213 R CB -0.785 29.082 30.300 -0.721 0.000 0.851 213 R HN 0.279 nan 8.270 nan 0.000 0.432 214 I N 1.131 121.621 120.570 -0.134 0.000 2.264 214 I HA -0.276 3.893 4.170 -0.002 0.000 0.248 214 I C 2.166 178.388 176.117 0.175 0.000 1.111 214 I CA 1.198 62.478 61.300 -0.032 0.000 1.382 214 I CB -0.334 37.547 38.000 -0.198 0.000 1.060 214 I HN 0.088 nan 8.210 nan 0.000 0.418 215 L N 0.038 121.320 121.223 0.097 0.000 2.291 215 L HA -0.155 4.184 4.340 -0.002 0.000 0.214 215 L C 2.341 179.332 176.870 0.200 0.000 1.120 215 L CA 0.944 55.926 54.840 0.237 0.000 0.799 215 L CB -0.503 41.627 42.059 0.118 0.000 0.925 215 L HN 0.365 nan 8.230 nan 0.000 0.446 216 Q N -0.836 119.028 119.800 0.108 0.000 2.488 216 Q HA -0.116 4.223 4.340 -0.002 0.000 0.211 216 Q C 1.263 177.252 176.000 -0.017 0.000 0.967 216 Q CA 0.613 56.427 55.803 0.018 0.000 0.926 216 Q CB 0.074 28.768 28.738 -0.073 0.000 0.992 216 Q HN 0.655 nan 8.270 nan 0.000 0.506 217 H N -0.724 118.379 119.070 0.054 0.000 2.539 217 H HA 0.127 4.682 4.556 -0.002 0.000 0.267 217 H C -0.084 175.241 175.328 -0.005 0.000 0.982 217 H CA -0.017 56.054 56.048 0.040 0.000 1.146 217 H CB 0.748 30.553 29.762 0.072 0.000 1.382 217 H HN -0.063 nan 8.280 nan 0.000 0.577 218 V N 3.607 123.574 119.914 0.088 0.000 2.389 218 V HA 0.052 4.171 4.120 -0.002 0.000 0.264 218 V C 0.107 176.200 176.094 -0.000 0.000 1.049 218 V CA -0.086 62.202 62.300 -0.020 0.000 0.932 218 V CB 1.145 32.979 31.823 0.018 0.000 1.011 218 V HN 0.280 nan 8.190 nan 0.000 0.475 219 Q N 3.402 123.189 119.800 -0.022 0.000 2.572 219 Q HA 0.612 4.951 4.340 -0.002 0.000 0.284 219 Q C -0.031 175.959 176.000 -0.015 0.000 1.091 219 Q CA -1.186 54.608 55.803 -0.016 0.000 0.840 219 Q CB 1.224 29.950 28.738 -0.020 0.000 1.433 219 Q HN 0.548 nan 8.270 nan 0.000 0.471 220 R N 1.038 121.531 120.500 -0.011 0.000 3.152 220 R HA -0.175 4.163 4.340 -0.002 0.000 0.252 220 R C -1.188 175.111 176.300 -0.001 0.000 0.930 220 R CA 0.755 56.850 56.100 -0.008 0.000 0.642 220 R CB -1.894 28.399 30.300 -0.013 0.000 1.205 220 R HN 0.714 nan 8.270 nan 0.000 0.452 221 D N -0.549 119.855 120.400 0.006 0.000 2.686 221 D HA -0.184 4.455 4.640 -0.002 0.000 0.235 221 D C 1.094 177.410 176.300 0.027 0.000 1.160 221 D CA 2.493 56.503 54.000 0.017 0.000 0.645 221 D CB -1.189 39.619 40.800 0.014 0.000 1.039 221 D HN 0.905 nan 8.370 nan 0.000 0.423 222 G N -0.457 108.360 108.800 0.029 0.000 2.179 222 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.257 222 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.257 222 G C 0.762 175.654 174.900 -0.014 0.000 1.010 222 G CA 0.491 45.609 45.100 0.030 0.000 0.736 222 G HN 0.450 nan 8.290 nan 0.000 0.513 223 Q N -1.100 118.689 119.800 -0.019 0.000 2.247 223 Q HA 0.573 4.912 4.340 -0.002 0.000 0.211 223 Q C 0.804 176.781 176.000 -0.039 0.000 0.861 223 Q CA 0.967 56.756 55.803 -0.023 0.000 0.949 223 Q CB 1.269 30.002 28.738 -0.009 0.000 1.115 223 Q HN 1.363 nan 8.270 nan 0.000 0.507 224 A N 0.126 122.912 122.820 -0.057 0.000 2.540 224 A HA 0.553 4.872 4.320 -0.002 0.000 0.297 224 A C -1.135 176.395 177.584 -0.090 0.000 1.056 224 A CA -0.475 51.525 52.037 -0.062 0.000 0.700 224 A CB 1.596 20.574 19.000 -0.036 0.000 1.280 224 A HN -0.036 nan 8.150 nan 0.000 0.398 225 V N 3.339 123.188 119.914 -0.110 0.000 2.350 225 V HA 0.396 4.515 4.120 -0.002 0.000 0.276 225 V C -0.811 175.278 176.094 -0.008 0.000 1.028 225 V CA -0.449 61.779 62.300 -0.121 0.000 0.860 225 V CB 1.076 32.761 31.823 -0.230 0.000 0.990 225 V HN 0.698 nan 8.190 nan 0.000 0.453 226 L N 4.789 126.052 121.223 0.066 0.000 2.272 226 L HA 0.489 4.828 4.340 -0.002 0.000 0.289 226 L C 1.473 178.499 176.870 0.260 0.000 1.032 226 L CA 0.076 54.983 54.840 0.111 0.000 0.810 226 L CB 1.244 43.345 42.059 0.071 0.000 1.205 226 L HN 0.550 nan 8.230 nan 0.000 0.422 227 E N 1.794 122.114 120.200 0.200 0.000 2.097 227 E HA -0.119 4.230 4.350 -0.002 0.000 0.196 227 E C -0.075 176.742 176.600 0.361 0.000 1.000 227 E CA 1.239 57.797 56.400 0.263 0.000 0.804 227 E CB 0.230 30.099 29.700 0.281 0.000 0.740 227 E HN 0.566 nan 8.360 nan 0.000 0.454 228 N N -0.287 118.584 118.700 0.285 0.000 2.238 228 N HA 0.331 5.070 4.740 -0.002 0.000 0.302 228 N C -0.408 175.142 175.510 0.067 0.000 1.072 228 N CA -0.343 52.839 53.050 0.219 0.000 0.792 228 N CB 2.838 41.412 38.487 0.144 0.000 1.425 228 N HN -0.148 nan 8.380 nan 0.000 0.478 229 V N -1.859 118.024 119.914 -0.052 0.000 3.147 229 V HA 0.618 4.737 4.120 -0.002 0.000 0.306 229 V C 0.426 176.465 176.094 -0.093 0.000 1.209 229 V CA -1.115 61.096 62.300 -0.148 0.000 1.023 229 V CB 1.295 32.900 31.823 -0.363 0.000 1.059 229 V HN 0.743 nan 8.190 nan 0.000 0.435 230 S N 0.707 116.366 115.700 -0.068 0.000 2.573 230 S HA 0.146 4.615 4.470 -0.002 0.000 0.277 230 S C 0.832 175.413 174.600 -0.032 0.000 1.346 230 S CA 0.364 58.544 58.200 -0.033 0.000 1.034 230 S CB 0.682 63.867 63.200 -0.025 0.000 0.879 230 S HN 0.878 nan 8.310 nan 0.000 0.528 231 E N 0.911 121.113 120.200 0.003 0.000 2.333 231 E HA -0.144 4.205 4.350 -0.002 0.000 0.200 231 E C 0.575 177.187 176.600 0.021 0.000 1.010 231 E CA 1.013 57.430 56.400 0.029 0.000 0.841 231 E CB -0.240 29.491 29.700 0.051 0.000 0.757 231 E HN 0.695 nan 8.360 nan 0.000 0.508 232 D N -0.656 119.745 120.400 0.001 0.000 2.340 232 D HA 0.090 4.729 4.640 -0.002 0.000 0.217 232 D C 0.758 177.042 176.300 -0.026 0.000 1.081 232 D CA 0.527 54.527 54.000 0.001 0.000 0.842 232 D CB 0.669 41.472 40.800 0.005 0.000 0.934 232 D HN 0.231 nan 8.370 nan 0.000 0.511 233 G N 2.028 110.791 108.800 -0.061 0.000 2.171 233 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.238 233 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.238 233 G C -0.138 174.713 174.900 -0.082 0.000 1.039 233 G CA -0.135 44.906 45.100 -0.098 0.000 0.759 233 G HN 0.340 nan 8.290 nan 0.000 0.501 234 E N -0.185 119.974 120.200 -0.068 0.000 2.207 234 E HA 0.463 4.812 4.350 -0.002 0.000 0.270 234 E C 0.171 176.738 176.600 -0.054 0.000 0.927 234 E CA -0.893 55.477 56.400 -0.050 0.000 0.799 234 E CB 1.654 31.336 29.700 -0.030 0.000 1.172 234 E HN 0.431 nan 8.360 nan 0.000 0.404 235 E N 2.956 123.131 120.200 -0.043 0.000 2.414 235 E HA 0.028 4.377 4.350 -0.002 0.000 0.263 235 E C -0.896 175.688 176.600 -0.025 0.000 1.000 235 E CA -0.053 56.326 56.400 -0.035 0.000 0.914 235 E CB 0.533 30.218 29.700 -0.025 0.000 0.948 235 E HN 0.345 nan 8.360 nan 0.000 0.444 236 L N 2.983 124.195 121.223 -0.019 0.000 2.400 236 L HA 0.385 4.724 4.340 -0.002 0.000 0.264 236 L C 0.404 177.267 176.870 -0.011 0.000 1.061 236 L CA -0.771 54.061 54.840 -0.013 0.000 0.799 236 L CB 1.601 43.656 42.059 -0.006 0.000 1.240 236 L HN 0.700 nan 8.230 nan 0.000 0.461 237 S N -0.800 114.893 115.700 -0.012 0.000 2.767 237 S HA 0.910 5.379 4.470 -0.002 0.000 0.300 237 S C 0.046 174.635 174.600 -0.018 0.000 1.123 237 S CA -0.170 58.021 58.200 -0.015 0.000 0.992 237 S CB 1.605 64.796 63.200 -0.016 0.000 1.138 237 S HN 1.183 nan 8.310 nan 0.000 0.550 238 G N -0.722 108.064 108.800 -0.023 0.000 2.782 238 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.228 238 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.228 238 G C 0.698 175.578 174.900 -0.033 0.000 1.372 238 G CA -0.347 44.735 45.100 -0.030 0.000 0.862 238 G HN 1.201 nan 8.290 nan 0.000 0.547 239 C N -0.657 118.615 119.300 -0.045 0.000 2.413 239 C HA -0.024 4.434 4.460 -0.002 0.000 0.277 239 C C 3.095 178.061 174.990 -0.040 0.000 1.265 239 C CA 1.660 60.646 59.018 -0.054 0.000 1.752 239 C CB -1.444 26.246 27.740 -0.082 0.000 1.998 239 C HN 0.682 nan 8.230 nan 0.000 0.489 240 L N 1.530 122.724 121.223 -0.047 0.000 1.990 240 L HA -0.069 4.270 4.340 -0.002 0.000 0.213 240 L C 2.507 179.390 176.870 0.022 0.000 1.072 240 L CA 2.446 57.266 54.840 -0.034 0.000 0.755 240 L CB -0.951 41.088 42.059 -0.033 0.000 0.889 240 L HN 0.354 nan 8.230 nan 0.000 0.432 241 G N -1.437 107.371 108.800 0.013 0.000 2.448 241 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.218 241 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.218 241 G C 1.580 176.499 174.900 0.031 0.000 1.135 241 G CA 0.374 45.488 45.100 0.023 0.000 0.784 241 G HN 0.388 nan 8.290 nan 0.000 0.543 242 R N -0.537 119.977 120.500 0.024 0.000 2.297 242 R HA 0.077 4.416 4.340 -0.002 0.000 0.197 242 R C 0.241 176.561 176.300 0.034 0.000 0.943 242 R CA -0.385 55.722 56.100 0.012 0.000 1.038 242 R CB -0.060 30.229 30.300 -0.018 0.000 0.957 242 R HN 0.409 nan 8.270 nan 0.000 0.484 243 H N 2.022 121.067 119.070 -0.042 0.000 2.964 243 H HA 0.032 4.587 4.556 -0.002 0.000 0.328 243 H C -0.390 174.948 175.328 0.016 0.000 1.030 243 H CA 0.912 56.933 56.048 -0.045 0.000 1.445 243 H CB 0.367 30.082 29.762 -0.078 0.000 1.449 243 H HN 0.025 nan 8.280 nan 0.000 0.581 244 Q N 3.386 122.895 119.800 -0.485 0.000 2.423 244 Q HA 0.303 4.641 4.340 -0.002 0.000 0.278 244 Q C -0.987 174.844 176.000 -0.281 0.000 1.097 244 Q CA -1.222 54.419 55.803 -0.270 0.000 0.809 244 Q CB 2.297 30.973 28.738 -0.102 0.000 1.391 244 Q HN 0.631 nan 8.270 nan 0.000 0.428 245 N N 1.568 120.229 118.700 -0.065 0.000 2.594 245 N HA 0.244 4.983 4.740 -0.002 0.000 0.280 245 N C -2.535 173.019 175.510 0.072 0.000 1.156 245 N CA -1.721 51.354 53.050 0.041 0.000 0.831 245 N CB 1.720 40.292 38.487 0.142 0.000 1.379 245 N HN 0.185 nan 8.380 nan 0.000 0.536 246 P HA 0.003 nan 4.420 nan 0.000 0.216 246 P C 1.367 178.678 177.300 0.017 0.000 1.153 246 P CA 1.196 64.311 63.100 0.025 0.000 0.848 246 P CB 0.148 31.849 31.700 0.002 0.000 0.787 247 G N -1.194 107.548 108.800 -0.097 0.000 2.469 247 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.220 247 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.220 247 G C 1.557 176.611 174.900 0.257 0.000 1.136 247 G CA 0.893 45.900 45.100 -0.156 0.000 0.759 247 G HN 0.367 nan 8.290 nan 0.000 0.562 248 H N -0.009 119.192 119.070 0.218 0.000 2.395 248 H HA 0.114 4.669 4.556 -0.002 0.000 0.299 248 H C 2.939 178.315 175.328 0.081 0.000 1.070 248 H CA 0.517 56.700 56.048 0.226 0.000 1.356 248 H CB 0.243 30.142 29.762 0.229 0.000 1.401 248 H HN 0.413 nan 8.280 nan 0.000 0.524 249 A N 0.869 123.804 122.820 0.192 0.000 1.902 249 A HA -0.137 4.181 4.320 -0.002 0.000 0.217 249 A C 2.406 180.087 177.584 0.162 0.000 1.181 249 A CA 1.001 53.143 52.037 0.175 0.000 0.623 249 A CB -0.718 18.344 19.000 0.103 0.000 0.818 249 A HN 0.308 nan 8.150 nan 0.000 0.443 250 L N -0.930 120.344 121.223 0.085 0.000 2.046 250 L HA -0.198 4.140 4.340 -0.002 0.000 0.208 250 L C 2.651 179.501 176.870 -0.033 0.000 1.077 250 L CA 1.843 56.696 54.840 0.021 0.000 0.747 250 L CB -0.450 41.586 42.059 -0.040 0.000 0.896 250 L HN 0.611 nan 8.230 nan 0.000 0.432 251 E N 0.373 120.505 120.200 -0.112 0.000 2.051 251 E HA -0.248 4.101 4.350 -0.002 0.000 0.192 251 E C 2.226 178.201 176.600 -1.042 0.000 0.991 251 E CA 1.245 57.318 56.400 -0.545 0.000 0.799 251 E CB -0.036 29.393 29.700 -0.451 0.000 0.748 251 E HN 0.431 nan 8.360 nan 0.000 0.449 252 A N 0.776 123.231 122.820 -0.609 0.000 1.933 252 A HA -0.106 4.213 4.320 -0.002 0.000 0.218 252 A C 2.413 179.716 177.584 -0.468 0.000 1.175 252 A CA 1.752 53.480 52.037 -0.514 0.000 0.628 252 A CB -1.322 17.511 19.000 -0.279 0.000 0.814 252 A HN 0.474 nan 8.150 nan 0.000 0.444 253 G N -0.131 108.499 108.800 -0.284 0.000 2.459 253 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.217 253 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.217 253 G C 1.568 176.433 174.900 -0.058 0.000 1.183 253 G CA 1.136 46.130 45.100 -0.178 0.000 0.776 253 G HN 0.906 nan 8.290 nan 0.000 0.552 254 W N -0.305 120.912 121.300 -0.140 0.000 2.519 254 W HA 0.123 4.782 4.660 -0.002 0.000 0.266 254 W C 1.672 178.250 176.519 0.098 0.000 1.253 254 W CA -0.050 57.267 57.345 -0.046 0.000 1.274 254 W CB -0.685 28.738 29.460 -0.062 0.000 1.114 254 W HN 0.071 nan 8.180 nan 0.000 0.596 255 F N 1.779 121.457 119.950 -0.454 0.000 2.113 255 F HA -0.083 4.443 4.527 -0.002 0.000 0.297 255 F C 2.536 178.232 175.800 -0.172 0.000 1.103 255 F CA 0.829 58.523 58.000 -0.511 0.000 1.248 255 F CB -1.340 37.266 39.000 -0.656 0.000 0.999 255 F HN -0.134 nan 8.300 nan 0.000 0.475 256 L N -1.134 120.081 121.223 -0.014 0.000 2.083 256 L HA -0.224 4.114 4.340 -0.002 0.000 0.209 256 L C 2.365 179.284 176.870 0.081 0.000 1.083 256 L CA 0.394 55.206 54.840 -0.045 0.000 0.752 256 L CB -0.591 41.313 42.059 -0.260 0.000 0.899 256 L HN 0.062 nan 8.230 nan 0.000 0.433 257 L N -0.368 120.924 121.223 0.116 0.000 2.046 257 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 257 L C 2.687 179.663 176.870 0.178 0.000 1.077 257 L CA 1.621 56.548 54.840 0.146 0.000 0.747 257 L CB -0.859 41.304 42.059 0.172 0.000 0.896 257 L HN 0.181 nan 8.230 nan 0.000 0.432 258 R N -1.562 119.096 120.500 0.263 0.000 2.096 258 R HA -0.196 4.143 4.340 -0.002 0.000 0.235 258 R C 2.403 178.820 176.300 0.195 0.000 1.127 258 R CA 1.376 57.629 56.100 0.256 0.000 0.968 258 R CB -0.361 30.168 30.300 0.381 0.000 0.861 258 R HN 0.523 nan 8.270 nan 0.000 0.440 259 H N -0.399 118.718 119.070 0.079 0.000 2.321 259 H HA -0.092 4.463 4.556 -0.002 0.000 0.300 259 H C 2.033 177.391 175.328 0.049 0.000 1.087 259 H CA 1.970 58.045 56.048 0.045 0.000 1.319 259 H CB 0.159 29.926 29.762 0.008 0.000 1.379 259 H HN 0.304 nan 8.280 nan 0.000 0.501 260 S N 0.147 115.895 115.700 0.079 0.000 2.470 260 S HA -0.114 4.355 4.470 -0.002 0.000 0.225 260 S C 2.445 177.054 174.600 0.014 0.000 1.006 260 S CA 0.846 59.058 58.200 0.021 0.000 0.934 260 S CB -0.393 62.850 63.200 0.071 0.000 0.778 260 S HN 0.567 nan 8.310 nan 0.000 0.517 261 S N 4.281 120.004 115.700 0.038 0.000 2.368 261 S HA -0.304 4.165 4.470 -0.002 0.000 0.226 261 S C 2.257 176.863 174.600 0.009 0.000 1.044 261 S CA 1.446 59.664 58.200 0.030 0.000 1.062 261 S CB -1.018 62.209 63.200 0.046 0.000 0.931 261 S HN 0.812 nan 8.310 nan 0.000 0.440 262 R N 1.306 121.804 120.500 -0.003 0.000 2.096 262 R HA 0.069 4.408 4.340 -0.002 0.000 0.235 262 R C 1.959 178.246 176.300 -0.022 0.000 1.127 262 R CA 1.607 57.699 56.100 -0.013 0.000 0.968 262 R CB -1.533 28.753 30.300 -0.024 0.000 0.861 262 R HN 0.475 nan 8.270 nan 0.000 0.440 263 S N 1.016 116.693 115.700 -0.038 0.000 2.653 263 S HA 0.091 4.560 4.470 -0.002 0.000 0.233 263 S C 1.128 175.726 174.600 -0.004 0.000 0.970 263 S CA 0.569 58.752 58.200 -0.028 0.000 0.947 263 S CB -0.290 62.886 63.200 -0.040 0.000 0.771 263 S HN 0.728 nan 8.310 nan 0.000 0.538 264 G N 2.907 111.707 108.800 -0.000 0.000 2.473 264 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.307 264 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.307 264 G C -0.149 174.759 174.900 0.013 0.000 0.937 264 G CA 0.644 45.747 45.100 0.006 0.000 0.947 264 G HN 0.553 nan 8.290 nan 0.000 0.513 265 D N -0.135 120.277 120.400 0.020 0.000 2.500 265 D HA 0.577 5.215 4.640 -0.002 0.000 0.219 265 D C 1.354 177.678 176.300 0.040 0.000 1.137 265 D CA 0.053 54.072 54.000 0.031 0.000 0.946 265 D CB 0.372 41.195 40.800 0.039 0.000 1.022 265 D HN 0.203 nan 8.370 nan 0.000 0.518 266 A N 4.215 127.055 122.820 0.035 0.000 2.121 266 A HA -0.120 4.199 4.320 -0.002 0.000 0.218 266 A C 2.033 179.649 177.584 0.054 0.000 1.154 266 A CA 0.922 52.982 52.037 0.039 0.000 0.679 266 A CB -0.196 18.821 19.000 0.029 0.000 0.795 266 A HN 0.519 nan 8.150 nan 0.000 0.458 267 K N -0.741 119.692 120.400 0.054 0.000 2.007 267 K HA -0.072 4.247 4.320 -0.002 0.000 0.206 267 K C 1.923 178.579 176.600 0.094 0.000 1.047 267 K CA 1.340 57.665 56.287 0.064 0.000 0.937 267 K CB -0.274 32.254 32.500 0.046 0.000 0.718 267 K HN 0.366 nan 8.250 nan 0.000 0.438 268 L N 1.744 123.021 121.223 0.090 0.000 1.994 268 L HA -0.179 4.159 4.340 -0.002 0.000 0.208 268 L C 2.436 179.390 176.870 0.140 0.000 1.071 268 L CA 1.820 56.732 54.840 0.120 0.000 0.745 268 L CB -0.662 41.455 42.059 0.096 0.000 0.892 268 L HN 0.142 nan 8.230 nan 0.000 0.431 269 R N -0.199 120.362 120.500 0.101 0.000 2.119 269 R HA -0.242 4.097 4.340 -0.002 0.000 0.246 269 R C 2.084 178.448 176.300 0.107 0.000 1.146 269 R CA 1.949 58.105 56.100 0.093 0.000 0.962 269 R CB -0.652 29.689 30.300 0.068 0.000 0.863 269 R HN 0.541 nan 8.270 nan 0.000 0.442 270 A N 0.697 123.584 122.820 0.111 0.000 1.845 270 A HA -0.252 4.067 4.320 -0.002 0.000 0.215 270 A C 2.268 179.942 177.584 0.149 0.000 1.195 270 A CA 1.725 53.830 52.037 0.114 0.000 0.616 270 A CB -1.323 17.740 19.000 0.104 0.000 0.832 270 A HN 0.694 nan 8.150 nan 0.000 0.443 271 H N -0.372 118.752 119.070 0.090 0.000 2.390 271 H HA -0.125 4.430 4.556 -0.002 0.000 0.298 271 H C 2.041 177.475 175.328 0.176 0.000 1.106 271 H CA 2.008 58.123 56.048 0.112 0.000 1.297 271 H CB 0.034 29.858 29.762 0.104 0.000 1.375 271 H HN 0.230 nan 8.280 nan 0.000 0.509 272 V N 1.005 121.005 119.914 0.143 0.000 2.358 272 V HA -0.241 3.878 4.120 -0.002 0.000 0.246 272 V C 2.774 178.972 176.094 0.174 0.000 1.047 272 V CA 1.702 64.109 62.300 0.180 0.000 1.035 272 V CB -0.457 31.418 31.823 0.085 0.000 0.658 272 V HN 0.326 nan 8.190 nan 0.000 0.452 273 I N -0.006 120.638 120.570 0.122 0.000 2.226 273 I HA -0.235 3.934 4.170 -0.002 0.000 0.245 273 I C 2.236 178.414 176.117 0.102 0.000 1.100 273 I CA 1.564 62.939 61.300 0.125 0.000 1.374 273 I CB -0.412 37.654 38.000 0.111 0.000 1.057 273 I HN 0.324 nan 8.210 nan 0.000 0.413 274 D N 0.137 120.566 120.400 0.049 0.000 2.077 274 D HA -0.182 4.457 4.640 -0.002 0.000 0.193 274 D C 2.352 178.631 176.300 -0.036 0.000 0.989 274 D CA 2.349 56.356 54.000 0.011 0.000 0.831 274 D CB -0.632 40.165 40.800 -0.005 0.000 0.979 274 D HN 0.348 nan 8.370 nan 0.000 0.449 275 T N -2.161 112.298 114.554 -0.157 0.000 2.985 275 T HA -0.051 4.298 4.350 -0.002 0.000 0.266 275 T C 1.731 176.226 174.700 -0.342 0.000 1.076 275 T CA 0.664 62.597 62.100 -0.277 0.000 1.135 275 T CB -0.348 68.221 68.868 -0.498 0.000 0.890 275 T HN 0.010 nan 8.240 nan 0.000 0.480 276 F N -0.653 119.257 119.950 -0.067 0.000 2.717 276 F HA 0.507 5.033 4.527 -0.002 0.000 0.297 276 F C 1.551 177.355 175.800 0.007 0.000 1.113 276 F CA -0.353 57.630 58.000 -0.029 0.000 1.319 276 F CB 0.320 39.292 39.000 -0.046 0.000 1.097 276 F HN 0.107 nan 8.300 nan 0.000 0.595 277 L N -1.015 120.323 121.223 0.192 0.000 2.488 277 L HA 0.144 4.483 4.340 -0.002 0.000 0.186 277 L C 1.994 179.054 176.870 0.317 0.000 1.124 277 L CA 0.914 55.875 54.840 0.200 0.000 0.838 277 L CB -0.917 41.276 42.059 0.224 0.000 1.107 277 L HN -0.087 nan 8.230 nan 0.000 0.494 278 L N -0.671 120.698 121.223 0.243 0.000 2.005 278 L HA -0.191 4.148 4.340 -0.002 0.000 0.207 278 L C 2.480 179.471 176.870 0.202 0.000 1.072 278 L CA 1.104 56.072 54.840 0.212 0.000 0.744 278 L CB -0.817 41.307 42.059 0.109 0.000 0.895 278 L HN 0.278 nan 8.230 nan 0.000 0.433 279 L N 0.938 122.226 121.223 0.108 0.000 1.971 279 L HA -0.102 4.237 4.340 -0.002 0.000 0.215 279 L C -0.484 176.440 176.870 0.089 0.000 1.072 279 L CA 2.249 57.128 54.840 0.065 0.000 0.758 279 L CB -1.994 40.054 42.059 -0.019 0.000 0.889 279 L HN 0.042 nan 8.230 nan 0.000 0.433 280 P HA -0.209 nan 4.420 nan 0.000 0.215 280 P C 1.794 179.190 177.300 0.160 0.000 1.157 280 P CA 1.683 64.838 63.100 0.092 0.000 0.868 280 P CB -0.331 31.416 31.700 0.078 0.000 0.788 281 F N 1.329 121.356 119.950 0.129 0.000 2.095 281 F HA -0.219 4.307 4.527 -0.002 0.000 0.298 281 F C 2.565 178.460 175.800 0.157 0.000 1.104 281 F CA 1.716 59.828 58.000 0.187 0.000 1.232 281 F CB -0.446 38.736 39.000 0.303 0.000 0.987 281 F HN -0.270 nan 8.300 nan 0.000 0.475 282 R N -0.048 120.606 120.500 0.256 0.000 2.096 282 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 282 R C 1.972 178.316 176.300 0.073 0.000 1.127 282 R CA 2.030 58.217 56.100 0.144 0.000 0.968 282 R CB -0.817 29.572 30.300 0.148 0.000 0.861 282 R HN 0.288 nan 8.270 nan 0.000 0.440 283 S N 0.217 115.962 115.700 0.075 0.000 2.362 283 S HA 0.016 4.485 4.470 -0.002 0.000 0.221 283 S C 1.978 176.643 174.600 0.109 0.000 1.032 283 S CA 0.942 59.190 58.200 0.080 0.000 0.973 283 S CB -0.253 62.984 63.200 0.062 0.000 0.849 283 S HN 0.670 nan 8.310 nan 0.000 0.465 284 G N 0.584 109.421 108.800 0.060 0.000 2.443 284 G HA2 -0.151 3.807 3.960 -0.002 0.000 0.219 284 G HA3 -0.151 3.807 3.960 -0.002 0.000 0.219 284 G C 0.255 175.061 174.900 -0.157 0.000 1.131 284 G CA -0.258 44.871 45.100 0.048 0.000 0.775 284 G HN 0.476 nan 8.290 nan 0.000 0.547 285 W N 2.316 123.303 121.300 -0.522 0.000 2.308 285 W HA 0.212 4.870 4.660 -0.002 0.000 0.324 285 W C -0.841 175.353 176.519 -0.541 0.000 1.387 285 W CA -0.324 56.609 57.345 -0.686 0.000 1.250 285 W CB 0.656 29.571 29.460 -0.908 0.000 1.257 285 W HN -0.015 nan 8.180 nan 0.000 0.554 286 D N 4.977 124.598 120.400 -1.299 0.000 2.374 286 D HA 0.235 4.874 4.640 -0.002 0.000 0.240 286 D C 1.075 177.014 176.300 -0.603 0.000 1.229 286 D CA 0.259 53.650 54.000 -1.014 0.000 0.895 286 D CB 1.186 41.249 40.800 -1.229 0.000 1.046 286 D HN 0.396 nan 8.370 nan 0.000 0.498 287 A N 4.244 126.964 122.820 -0.166 0.000 1.978 287 A HA -0.188 4.130 4.320 -0.002 0.000 0.220 287 A C 1.782 179.315 177.584 -0.086 0.000 1.170 287 A CA 1.243 53.282 52.037 0.002 0.000 0.636 287 A CB -0.084 18.957 19.000 0.068 0.000 0.810 287 A HN 0.574 nan 8.150 nan 0.000 0.448 288 D N -1.270 119.018 120.400 -0.187 0.000 2.103 288 D HA -0.066 4.572 4.640 -0.002 0.000 0.199 288 D C 1.067 177.026 176.300 -0.567 0.000 0.978 288 D CA 1.211 54.977 54.000 -0.390 0.000 0.829 288 D CB -0.198 40.291 40.800 -0.517 0.000 0.981 288 D HN 0.669 nan 8.370 nan 0.000 0.464 289 H N -0.967 118.023 119.070 -0.132 0.000 3.058 289 H HA 0.409 4.964 4.556 -0.003 0.000 0.266 289 H C 1.120 176.331 175.328 -0.194 0.000 1.135 289 H CA 0.442 56.414 56.048 -0.126 0.000 1.174 289 H CB 1.339 31.032 29.762 -0.114 0.000 1.581 289 H HN 0.093 nan 8.280 nan 0.000 0.553 290 G N 0.612 109.184 108.800 -0.379 0.000 2.781 290 G HA2 0.154 4.113 3.960 -0.002 0.000 0.683 290 G HA3 0.154 4.113 3.960 -0.002 0.000 0.683 290 G C 0.189 174.158 174.900 -1.552 0.000 1.390 290 G CA -0.163 44.434 45.100 -0.838 0.000 0.850 290 G HN 0.930 nan 8.290 nan 0.000 0.557 291 G N -1.574 105.458 108.800 -2.946 0.000 2.716 291 G HA2 0.258 4.216 3.960 -0.002 0.000 0.686 291 G HA3 0.258 4.216 3.960 -0.002 0.000 0.686 291 G C -0.164 173.976 174.900 -1.266 0.000 1.337 291 G CA -0.027 43.953 45.100 -1.866 0.000 0.829 291 G HN 1.622 nan 8.290 nan 0.000 0.599 292 L N 1.079 122.014 121.223 -0.481 0.000 2.305 292 L HA 0.523 4.862 4.340 -0.002 0.000 0.281 292 L C 0.816 177.469 176.870 -0.361 0.000 1.085 292 L CA -0.818 53.723 54.840 -0.498 0.000 0.813 292 L CB 0.503 42.293 42.059 -0.448 0.000 1.157 292 L HN 0.456 nan 8.230 nan 0.000 0.436 293 F N 1.830 121.688 119.950 -0.153 0.000 2.539 293 F HA -0.065 4.460 4.527 -0.003 0.000 0.340 293 F C 0.972 176.738 175.800 -0.056 0.000 1.185 293 F CA 0.210 58.180 58.000 -0.051 0.000 1.333 293 F CB 0.049 39.117 39.000 0.113 0.000 1.152 293 F HN 0.383 nan 8.300 nan 0.000 0.602 294 Y N 1.380 121.663 120.300 -0.029 0.000 2.206 294 Y HA 0.176 4.725 4.550 -0.002 0.000 0.292 294 Y C 0.122 175.740 175.900 -0.471 0.000 1.123 294 Y CA 0.591 58.439 58.100 -0.420 0.000 1.142 294 Y CB -0.210 37.915 38.460 -0.558 0.000 1.006 294 Y HN 0.304 nan 8.280 nan 0.000 0.518 295 F N -0.161 119.897 119.950 0.180 0.000 2.620 295 F HA 0.560 5.086 4.527 -0.002 0.000 0.320 295 F C -0.360 175.497 175.800 0.096 0.000 1.069 295 F CA -0.975 57.032 58.000 0.012 0.000 0.953 295 F CB 1.949 40.969 39.000 0.034 0.000 1.322 295 F HN -0.274 nan 8.300 nan 0.000 0.479 296 Q N 0.354 120.233 119.800 0.131 0.000 2.575 296 Q HA 0.219 4.558 4.340 -0.002 0.000 0.290 296 Q C -2.124 173.811 176.000 -0.107 0.000 0.963 296 Q CA -1.024 54.757 55.803 -0.037 0.000 0.783 296 Q CB 3.421 32.162 28.738 0.004 0.000 1.467 296 Q HN 0.573 nan 8.270 nan 0.000 0.402 297 D N -0.080 120.225 120.400 -0.159 0.000 2.391 297 D HA 0.387 5.026 4.640 -0.002 0.000 0.245 297 D C 0.253 176.495 176.300 -0.097 0.000 1.069 297 D CA -0.056 53.870 54.000 -0.123 0.000 0.831 297 D CB 2.050 42.750 40.800 -0.165 0.000 1.204 297 D HN 0.693 nan 8.370 nan 0.000 0.503 298 A N 3.872 126.654 122.820 -0.063 0.000 1.986 298 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 298 A C 1.363 178.917 177.584 -0.051 0.000 1.171 298 A CA 1.364 53.372 52.037 -0.048 0.000 0.640 298 A CB -0.059 18.922 19.000 -0.032 0.000 0.811 298 A HN 0.587 nan 8.150 nan 0.000 0.451 299 D N -1.413 118.951 120.400 -0.060 0.000 2.319 299 D HA 0.293 4.931 4.640 -0.002 0.000 0.230 299 D C 1.414 177.670 176.300 -0.074 0.000 1.094 299 D CA 0.996 54.961 54.000 -0.058 0.000 0.856 299 D CB -0.104 40.664 40.800 -0.054 0.000 0.915 299 D HN 0.577 nan 8.370 nan 0.000 0.517 300 G N 0.350 109.093 108.800 -0.095 0.000 2.189 300 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.267 300 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.267 300 G C 0.314 175.116 174.900 -0.164 0.000 0.975 300 G CA 0.029 45.057 45.100 -0.120 0.000 0.644 300 G HN 0.238 nan 8.290 nan 0.000 0.537 301 L N 0.403 121.531 121.223 -0.160 0.000 2.473 301 L HA 0.447 4.786 4.340 -0.002 0.000 0.268 301 L C 1.723 178.423 176.870 -0.283 0.000 1.215 301 L CA -0.759 53.975 54.840 -0.177 0.000 0.823 301 L CB 0.493 42.471 42.059 -0.136 0.000 1.099 301 L HN 0.423 nan 8.230 nan 0.000 0.483 302 C N 4.776 123.904 119.300 -0.288 0.000 2.648 302 C HA 0.294 4.753 4.460 -0.002 0.000 0.415 302 C C -1.667 173.064 174.990 -0.432 0.000 1.366 302 C CA -1.214 57.544 59.018 -0.434 0.000 1.756 302 C CB -0.495 27.086 27.740 -0.265 0.000 2.549 302 C HN 0.627 nan 8.230 nan 0.000 0.597 303 P HA 0.143 nan 4.420 nan 0.000 0.270 303 P C 0.695 177.873 177.300 -0.203 0.000 1.223 303 P CA 0.152 63.018 63.100 -0.391 0.000 0.785 303 P CB 0.447 31.908 31.700 -0.398 0.000 0.923 304 T N -0.791 113.697 114.554 -0.110 0.000 3.014 304 T HA -0.028 4.321 4.350 -0.002 0.000 0.263 304 T C 0.518 175.223 174.700 0.009 0.000 1.078 304 T CA 0.426 62.490 62.100 -0.061 0.000 1.135 304 T CB -0.293 68.519 68.868 -0.093 0.000 0.895 304 T HN 0.413 nan 8.240 nan 0.000 0.480 305 Q N 2.086 121.905 119.800 0.031 0.000 2.313 305 Q HA 0.145 4.484 4.340 -0.002 0.000 0.266 305 Q C 1.271 177.455 176.000 0.306 0.000 0.989 305 Q CA -0.081 55.796 55.803 0.124 0.000 0.890 305 Q CB 0.704 29.495 28.738 0.088 0.000 1.200 305 Q HN 0.375 nan 8.270 nan 0.000 0.396 306 L N 1.353 122.710 121.223 0.224 0.000 2.042 306 L HA -0.216 4.122 4.340 -0.002 0.000 0.210 306 L C 1.991 178.991 176.870 0.216 0.000 1.076 306 L CA 1.857 56.824 54.840 0.213 0.000 0.749 306 L CB -0.632 41.504 42.059 0.129 0.000 0.893 306 L HN 0.738 nan 8.230 nan 0.000 0.432 307 E N 0.912 121.273 120.200 0.269 0.000 2.445 307 E HA -0.157 4.192 4.350 -0.002 0.000 0.189 307 E C 1.813 178.592 176.600 0.299 0.000 1.069 307 E CA -0.031 56.519 56.400 0.251 0.000 0.871 307 E CB -0.437 29.473 29.700 0.348 0.000 0.991 307 E HN 0.697 nan 8.360 nan 0.000 0.481 308 W N 1.118 122.615 121.300 0.329 0.000 2.325 308 W HA -0.095 4.564 4.660 -0.002 0.000 0.299 308 W C 1.142 177.768 176.519 0.179 0.000 1.215 308 W CA 1.374 58.899 57.345 0.299 0.000 1.244 308 W CB -0.877 28.715 29.460 0.219 0.000 1.140 308 W HN 0.153 nan 8.180 nan 0.000 0.523 309 A N 0.849 122.936 122.820 -1.221 0.000 2.278 309 A HA 0.236 4.554 4.320 -0.002 0.000 0.212 309 A C 1.060 178.446 177.584 -0.329 0.000 1.213 309 A CA -0.153 51.199 52.037 -1.142 0.000 0.840 309 A CB -0.582 17.346 19.000 -1.786 0.000 0.866 309 A HN 0.283 nan 8.150 nan 0.000 0.489 310 M N 0.614 120.122 119.600 -0.152 0.000 2.255 310 M HA 0.228 4.707 4.480 -0.002 0.000 0.336 310 M C -0.290 175.999 176.300 -0.017 0.000 1.135 310 M CA -0.009 55.256 55.300 -0.057 0.000 1.145 310 M CB 0.802 33.412 32.600 0.018 0.000 1.473 310 M HN -0.076 nan 8.290 nan 0.000 0.462 311 K N 3.101 123.497 120.400 -0.006 0.000 2.334 311 K HA 0.477 4.795 4.320 -0.002 0.000 0.265 311 K C -1.185 175.543 176.600 0.213 0.000 1.039 311 K CA -0.487 55.853 56.287 0.088 0.000 0.920 311 K CB 0.550 33.074 32.500 0.040 0.000 1.160 311 K HN 0.387 nan 8.250 nan 0.000 0.451 312 L N 2.058 123.319 121.223 0.062 0.000 2.360 312 L HA 0.389 4.728 4.340 -0.002 0.000 0.271 312 L C 1.561 178.396 176.870 -0.059 0.000 1.057 312 L CA -0.487 54.333 54.840 -0.032 0.000 0.803 312 L CB 0.702 42.376 42.059 -0.643 0.000 1.207 312 L HN 0.761 nan 8.230 nan 0.000 0.445 313 W N 2.718 123.725 121.300 -0.487 0.000 2.338 313 W HA -0.168 4.491 4.660 -0.002 0.000 0.304 313 W C 1.797 178.084 176.519 -0.386 0.000 1.212 313 W CA 1.236 58.012 57.345 -0.949 0.000 1.264 313 W CB -0.674 28.496 29.460 -0.483 0.000 1.142 313 W HN 0.665 nan 8.180 nan 0.000 0.512 314 W N 1.437 121.681 121.300 -1.760 0.000 2.388 314 W HA 0.077 4.736 4.660 -0.002 0.000 0.294 314 W C -1.168 174.932 176.519 -0.699 0.000 1.212 314 W CA 0.866 57.355 57.345 -1.425 0.000 1.271 314 W CB -2.483 25.688 29.460 -2.149 0.000 1.126 314 W HN -0.001 nan 8.180 nan 0.000 0.535 315 P HA -0.160 nan 4.420 nan 0.000 0.218 315 P C 0.827 177.882 177.300 -0.408 0.000 1.148 315 P CA 2.456 65.093 63.100 -0.773 0.000 0.822 315 P CB -0.307 30.799 31.700 -0.989 0.000 0.784 316 H N -0.971 117.978 119.070 -0.201 0.000 2.372 316 H HA -0.042 4.513 4.556 -0.002 0.000 0.301 316 H C 2.255 177.633 175.328 0.084 0.000 1.065 316 H CA 1.890 57.960 56.048 0.035 0.000 1.364 316 H CB -0.739 29.099 29.762 0.127 0.000 1.406 316 H HN 0.155 nan 8.280 nan 0.000 0.521 317 S N 0.758 116.550 115.700 0.153 0.000 2.382 317 S HA -0.163 4.305 4.470 -0.002 0.000 0.228 317 S C 1.762 176.449 174.600 0.146 0.000 1.027 317 S CA 1.218 59.540 58.200 0.202 0.000 0.991 317 S CB -0.022 63.278 63.200 0.166 0.000 0.823 317 S HN 0.310 nan 8.310 nan 0.000 0.469 318 E N 1.985 122.262 120.200 0.128 0.000 2.152 318 E HA 0.129 4.477 4.350 -0.002 0.000 0.192 318 E C 2.371 179.012 176.600 0.068 0.000 0.983 318 E CA 1.077 57.587 56.400 0.184 0.000 0.818 318 E CB -0.839 29.018 29.700 0.261 0.000 0.758 318 E HN 0.687 nan 8.360 nan 0.000 0.467 319 A N 0.983 123.808 122.820 0.009 0.000 1.898 319 A HA -0.136 4.182 4.320 -0.002 0.000 0.216 319 A C 2.299 179.845 177.584 -0.063 0.000 1.181 319 A CA 1.431 53.393 52.037 -0.125 0.000 0.620 319 A CB -0.477 18.586 19.000 0.105 0.000 0.819 319 A HN 0.158 nan 8.150 nan 0.000 0.442 320 M N -0.613 119.060 119.600 0.121 0.000 2.080 320 M HA -0.144 4.335 4.480 -0.002 0.000 0.260 320 M C 2.106 178.563 176.300 0.262 0.000 1.068 320 M CA 1.686 57.122 55.300 0.226 0.000 1.109 320 M CB -0.527 32.182 32.600 0.182 0.000 1.342 320 M HN 0.421 nan 8.290 nan 0.000 0.405 321 I N -0.140 120.436 120.570 0.011 0.000 2.142 321 I HA -0.260 3.908 4.170 -0.002 0.000 0.240 321 I C 2.709 178.679 176.117 -0.245 0.000 1.078 321 I CA 1.296 62.450 61.300 -0.242 0.000 1.343 321 I CB -0.673 36.915 38.000 -0.686 0.000 1.046 321 I HN 0.265 nan 8.210 nan 0.000 0.405 322 A N 0.684 123.381 122.820 -0.204 0.000 1.948 322 A HA -0.223 4.096 4.320 -0.002 0.000 0.220 322 A C 2.177 179.705 177.584 -0.093 0.000 1.177 322 A CA 1.704 53.675 52.037 -0.109 0.000 0.636 322 A CB -1.044 17.863 19.000 -0.156 0.000 0.815 322 A HN 0.402 nan 8.150 nan 0.000 0.449 323 F N -1.444 118.537 119.950 0.051 0.000 2.149 323 F HA -0.034 4.491 4.527 -0.002 0.000 0.294 323 F C 2.116 177.901 175.800 -0.025 0.000 1.095 323 F CA 0.669 58.677 58.000 0.014 0.000 1.276 323 F CB -0.214 38.785 39.000 -0.002 0.000 1.023 323 F HN 0.251 nan 8.300 nan 0.000 0.480 324 L N 0.362 121.645 121.223 0.100 0.000 2.042 324 L HA -0.234 4.105 4.340 -0.002 0.000 0.210 324 L C 2.299 179.123 176.870 -0.077 0.000 1.076 324 L CA 1.667 56.364 54.840 -0.238 0.000 0.749 324 L CB -0.684 41.027 42.059 -0.581 0.000 0.893 324 L HN 0.216 nan 8.230 nan 0.000 0.432 325 M N -1.311 118.257 119.600 -0.053 0.000 2.086 325 M HA -0.084 4.394 4.480 -0.002 0.000 0.261 325 M C 2.064 178.379 176.300 0.025 0.000 1.067 325 M CA 2.086 57.368 55.300 -0.031 0.000 1.116 325 M CB -0.674 31.910 32.600 -0.026 0.000 1.348 325 M HN 0.302 nan 8.290 nan 0.000 0.407 326 G N -0.885 107.964 108.800 0.083 0.000 2.442 326 G HA2 -0.310 3.648 3.960 -0.002 0.000 0.219 326 G HA3 -0.310 3.648 3.960 -0.002 0.000 0.219 326 G C 1.264 176.223 174.900 0.097 0.000 1.141 326 G CA 1.128 46.292 45.100 0.107 0.000 0.763 326 G HN 0.605 nan 8.290 nan 0.000 0.554 327 Y N 1.950 122.232 120.300 -0.029 0.000 2.133 327 Y HA -0.050 4.498 4.550 -0.002 0.000 0.287 327 Y C 3.042 178.901 175.900 -0.068 0.000 1.134 327 Y CA 1.561 59.619 58.100 -0.069 0.000 1.133 327 Y CB -0.569 37.807 38.460 -0.140 0.000 0.987 327 Y HN 0.200 nan 8.280 nan 0.000 0.502 328 S N 0.462 116.018 115.700 -0.239 0.000 2.392 328 S HA -0.220 4.249 4.470 -0.002 0.000 0.232 328 S C 1.779 176.239 174.600 -0.233 0.000 1.041 328 S CA 1.739 59.760 58.200 -0.300 0.000 1.026 328 S CB -0.271 62.844 63.200 -0.143 0.000 0.845 328 S HN 0.596 nan 8.310 nan 0.000 0.465 329 E N 0.501 120.622 120.200 -0.131 0.000 2.122 329 E HA -0.006 4.343 4.350 -0.002 0.000 0.190 329 E C 2.106 178.660 176.600 -0.077 0.000 0.977 329 E CA 1.255 57.611 56.400 -0.075 0.000 0.820 329 E CB -0.108 29.586 29.700 -0.010 0.000 0.770 329 E HN 0.646 nan 8.360 nan 0.000 0.462 330 S N -1.239 114.414 115.700 -0.079 0.000 2.526 330 S HA 0.274 4.743 4.470 -0.002 0.000 0.220 330 S C 1.657 176.207 174.600 -0.083 0.000 1.017 330 S CA 0.467 58.639 58.200 -0.048 0.000 0.930 330 S CB 0.842 64.051 63.200 0.014 0.000 0.856 330 S HN 0.279 nan 8.310 nan 0.000 0.497 331 G N 2.122 110.783 108.800 -0.231 0.000 2.186 331 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.266 331 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.266 331 G C -0.152 174.801 174.900 0.089 0.000 0.982 331 G CA 0.464 45.403 45.100 -0.269 0.000 0.670 331 G HN 0.726 nan 8.290 nan 0.000 0.533 332 D N 0.857 121.342 120.400 0.141 0.000 2.358 332 D HA 0.285 4.924 4.640 -0.002 0.000 0.258 332 D C -0.228 176.197 176.300 0.209 0.000 1.223 332 D CA -1.655 52.432 54.000 0.146 0.000 0.886 332 D CB 1.203 42.055 40.800 0.087 0.000 1.120 332 D HN 0.227 nan 8.370 nan 0.000 0.482 333 P HA 0.019 nan 4.420 nan 0.000 0.241 333 P C 0.898 178.112 177.300 -0.142 0.000 1.191 333 P CA 0.277 63.364 63.100 -0.021 0.000 0.771 333 P CB 0.261 31.967 31.700 0.009 0.000 0.929 334 A N 0.726 123.492 122.820 -0.090 0.000 1.898 334 A HA -0.114 4.205 4.320 -0.002 0.000 0.216 334 A C 2.287 179.721 177.584 -0.250 0.000 1.181 334 A CA 1.212 53.162 52.037 -0.145 0.000 0.620 334 A CB -1.518 17.422 19.000 -0.101 0.000 0.819 334 A HN 0.143 nan 8.150 nan 0.000 0.442 335 L N -0.998 120.109 121.223 -0.193 0.000 2.083 335 L HA -0.149 4.190 4.340 -0.002 0.000 0.209 335 L C 2.511 179.162 176.870 -0.366 0.000 1.083 335 L CA 0.968 55.668 54.840 -0.234 0.000 0.752 335 L CB -0.553 41.523 42.059 0.028 0.000 0.899 335 L HN 0.455 nan 8.230 nan 0.000 0.433 336 L N 0.014 120.917 121.223 -0.533 0.000 2.083 336 L HA -0.164 4.174 4.340 -0.002 0.000 0.209 336 L C 2.647 179.085 176.870 -0.720 0.000 1.083 336 L CA 1.665 55.986 54.840 -0.864 0.000 0.752 336 L CB -0.491 40.770 42.059 -1.330 0.000 0.899 336 L HN 0.055 nan 8.230 nan 0.000 0.433 337 R N -1.041 119.193 120.500 -0.444 0.000 2.092 337 R HA -0.063 4.276 4.340 -0.002 0.000 0.231 337 R C 2.280 178.383 176.300 -0.328 0.000 1.119 337 R CA 1.507 57.468 56.100 -0.232 0.000 0.970 337 R CB -0.315 29.891 30.300 -0.157 0.000 0.864 337 R HN 0.382 nan 8.270 nan 0.000 0.440 338 L N -0.596 120.286 121.223 -0.567 0.000 2.093 338 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 338 L C 2.132 178.575 176.870 -0.712 0.000 1.085 338 L CA 0.933 55.228 54.840 -0.908 0.000 0.755 338 L CB -0.340 40.737 42.059 -1.638 0.000 0.904 338 L HN 0.187 nan 8.230 nan 0.000 0.435 339 F N -0.001 119.572 119.950 -0.627 0.000 2.102 339 F HA -0.303 4.223 4.527 -0.002 0.000 0.298 339 F C 2.336 177.965 175.800 -0.285 0.000 1.105 339 F CA 1.591 59.382 58.000 -0.350 0.000 1.239 339 F CB -0.460 38.285 39.000 -0.424 0.000 0.991 339 F HN -0.036 nan 8.300 nan 0.000 0.474 340 Y N 0.218 120.374 120.300 -0.239 0.000 2.165 340 Y HA -0.351 4.198 4.550 -0.002 0.000 0.286 340 Y C 2.814 178.608 175.900 -0.178 0.000 1.155 340 Y CA 1.227 59.205 58.100 -0.203 0.000 1.164 340 Y CB -0.687 37.786 38.460 0.021 0.000 0.978 340 Y HN 0.245 nan 8.280 nan 0.000 0.513 341 Q N 0.468 120.241 119.800 -0.044 0.000 2.002 341 Q HA -0.188 4.151 4.340 -0.002 0.000 0.204 341 Q C 2.143 178.160 176.000 0.029 0.000 0.988 341 Q CA 2.638 58.405 55.803 -0.060 0.000 0.843 341 Q CB -0.316 28.260 28.738 -0.270 0.000 0.908 341 Q HN 0.307 nan 8.270 nan 0.000 0.420 342 V N 1.195 121.080 119.914 -0.049 0.000 2.295 342 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 342 V C 2.466 178.663 176.094 0.173 0.000 1.049 342 V CA 1.855 64.280 62.300 0.208 0.000 1.024 342 V CB -1.501 30.474 31.823 0.253 0.000 0.648 342 V HN 0.566 nan 8.190 nan 0.000 0.447 343 A N -0.083 122.592 122.820 -0.242 0.000 1.908 343 A HA -0.296 4.022 4.320 -0.002 0.000 0.218 343 A C 2.221 179.915 177.584 0.184 0.000 1.181 343 A CA 2.284 54.117 52.037 -0.339 0.000 0.627 343 A CB -0.537 17.569 19.000 -1.491 0.000 0.818 343 A HN 0.587 nan 8.150 nan 0.000 0.445 344 E N -1.577 118.792 120.200 0.281 0.000 2.072 344 E HA -0.165 4.183 4.350 -0.002 0.000 0.190 344 E C 1.762 178.562 176.600 0.332 0.000 0.982 344 E CA 1.358 57.992 56.400 0.389 0.000 0.803 344 E CB -0.413 29.470 29.700 0.305 0.000 0.755 344 E HN 0.706 nan 8.360 nan 0.000 0.453 345 Y N 0.406 120.852 120.300 0.243 0.000 2.145 345 Y HA -0.232 4.316 4.550 -0.002 0.000 0.286 345 Y C 2.562 178.557 175.900 0.159 0.000 1.145 345 Y CA 2.329 60.562 58.100 0.221 0.000 1.148 345 Y CB -0.765 37.928 38.460 0.388 0.000 0.981 345 Y HN 0.172 nan 8.280 nan 0.000 0.507 346 T N -1.171 113.614 114.554 0.384 0.000 2.821 346 T HA -0.194 4.155 4.350 -0.002 0.000 0.267 346 T C 1.726 176.407 174.700 -0.032 0.000 1.046 346 T CA 1.515 63.781 62.100 0.277 0.000 1.139 346 T CB -0.826 68.260 68.868 0.363 0.000 0.871 346 T HN 0.313 nan 8.240 nan 0.000 0.454 347 F N 1.459 121.357 119.950 -0.086 0.000 2.186 347 F HA 0.247 4.772 4.527 -0.003 0.000 0.299 347 F C 2.818 178.505 175.800 -0.189 0.000 1.090 347 F CA 1.140 59.043 58.000 -0.162 0.000 1.307 347 F CB -0.279 38.794 39.000 0.122 0.000 1.019 347 F HN 0.119 nan 8.300 nan 0.000 0.489 348 R N -0.293 120.218 120.500 0.020 0.000 2.119 348 R HA -0.097 4.242 4.340 -0.002 0.000 0.222 348 R C 2.033 178.175 176.300 -0.263 0.000 1.088 348 R CA 1.004 57.045 56.100 -0.098 0.000 0.984 348 R CB 0.040 30.295 30.300 -0.075 0.000 0.884 348 R HN 0.208 nan 8.270 nan 0.000 0.447 349 Q N -0.756 118.771 119.800 -0.454 0.000 2.165 349 Q HA -0.022 4.317 4.340 -0.002 0.000 0.197 349 Q C 1.780 177.419 176.000 -0.602 0.000 0.952 349 Q CA 1.226 56.622 55.803 -0.677 0.000 0.848 349 Q CB 0.024 28.007 28.738 -1.258 0.000 0.931 349 Q HN 0.329 nan 8.270 nan 0.000 0.470 350 F N 0.730 120.454 119.950 -0.376 0.000 2.530 350 F HA 0.139 4.665 4.527 -0.001 0.000 0.292 350 F C 1.130 176.760 175.800 -0.282 0.000 1.109 350 F CA -0.087 57.775 58.000 -0.230 0.000 1.450 350 F CB 0.167 39.061 39.000 -0.176 0.000 1.114 350 F HN -0.204 nan 8.300 nan 0.000 0.560 351 R N 1.308 121.531 120.500 -0.462 0.000 2.679 351 R HA 0.052 4.391 4.340 -0.002 0.000 0.268 351 R C -0.690 175.533 176.300 -0.127 0.000 1.044 351 R CA 0.287 56.110 56.100 -0.462 0.000 1.105 351 R CB 0.122 30.113 30.300 -0.515 0.000 0.989 351 R HN -0.065 nan 8.270 nan 0.000 0.447 352 D N 2.618 122.925 120.400 -0.155 0.000 2.408 352 D HA 0.192 4.831 4.640 -0.002 0.000 0.261 352 D C -1.881 174.377 176.300 -0.070 0.000 1.190 352 D CA -2.187 51.740 54.000 -0.121 0.000 0.910 352 D CB 1.279 41.745 40.800 -0.557 0.000 1.097 352 D HN 0.182 nan 8.370 nan 0.000 0.522 353 P HA 0.017 nan 4.420 nan 0.000 0.245 353 P C 0.765 178.021 177.300 -0.073 0.000 1.212 353 P CA 0.261 63.343 63.100 -0.031 0.000 0.774 353 P CB 0.826 32.514 31.700 -0.019 0.000 0.999 354 E N -0.384 119.743 120.200 -0.120 0.000 2.042 354 E HA -0.071 4.278 4.350 -0.002 0.000 0.189 354 E C 1.586 177.882 176.600 -0.505 0.000 0.974 354 E CA 1.441 57.642 56.400 -0.332 0.000 0.806 354 E CB -0.513 28.963 29.700 -0.373 0.000 0.769 354 E HN 0.449 nan 8.360 nan 0.000 0.451 355 Y N -0.715 119.583 120.300 -0.003 0.000 2.535 355 Y HA 0.364 4.913 4.550 -0.002 0.000 0.266 355 Y C 1.108 177.049 175.900 0.067 0.000 1.088 355 Y CA 0.365 58.490 58.100 0.042 0.000 1.285 355 Y CB 1.293 39.774 38.460 0.035 0.000 1.166 355 Y HN 0.101 nan 8.280 nan 0.000 0.525 356 G N 0.505 109.335 108.800 0.050 0.000 2.459 356 G HA2 0.168 4.127 3.960 -0.002 0.000 0.685 356 G HA3 0.168 4.127 3.960 -0.002 0.000 0.685 356 G C -0.897 173.781 174.900 -0.369 0.000 1.303 356 G CA -0.549 44.543 45.100 -0.013 0.000 0.907 356 G HN 0.035 nan 8.290 nan 0.000 0.632 357 E N -1.862 118.186 120.200 -0.252 0.000 8.957 357 E HA -0.167 4.182 4.350 -0.002 0.000 0.219 357 E C -0.804 175.804 176.600 0.012 0.000 1.448 357 E CA 1.554 57.748 56.400 -0.344 0.000 2.519 357 E CB -0.627 28.441 29.700 -1.054 0.000 1.189 357 E HN 1.031 nan 8.360 nan 0.000 0.444 358 W N -0.171 120.907 121.300 -0.370 0.000 2.781 358 W HA 0.559 5.218 4.660 -0.001 0.000 0.345 358 W C 0.402 176.732 176.519 -0.315 0.000 1.085 358 W CA -0.849 56.325 57.345 -0.285 0.000 1.198 358 W CB -0.049 29.369 29.460 -0.070 0.000 1.423 358 W HN 0.346 nan 8.180 nan 0.000 0.532 359 F N 0.800 120.861 119.950 0.185 0.000 2.444 359 F HA 0.401 4.927 4.527 -0.002 0.000 0.331 359 F C 1.551 177.432 175.800 0.134 0.000 1.167 359 F CA 0.726 58.785 58.000 0.098 0.000 1.262 359 F CB 0.716 39.768 39.000 0.087 0.000 1.196 359 F HN 0.536 nan 8.300 nan 0.000 0.583 360 G N 0.526 109.385 108.800 0.098 0.000 2.848 360 G HA2 0.075 4.034 3.960 -0.002 0.000 0.213 360 G HA3 0.075 4.034 3.960 -0.002 0.000 0.213 360 G C -0.763 173.983 174.900 -0.257 0.000 1.101 360 G CA 0.157 45.059 45.100 -0.331 0.000 0.778 360 G HN 0.462 nan 8.290 nan 0.000 0.536 361 Y N 0.241 120.733 120.300 0.320 0.000 2.326 361 Y HA 0.690 5.238 4.550 -0.002 0.000 0.329 361 Y C -0.720 175.216 175.900 0.061 0.000 0.973 361 Y CA -1.275 56.951 58.100 0.210 0.000 1.162 361 Y CB 1.889 40.422 38.460 0.122 0.000 1.147 361 Y HN -0.228 nan 8.280 nan 0.000 0.456 362 L N 3.826 125.113 121.223 0.107 0.000 2.354 362 L HA 0.467 4.806 4.340 -0.002 0.000 0.269 362 L C -0.107 176.715 176.870 -0.080 0.000 1.005 362 L CA -1.315 53.466 54.840 -0.098 0.000 0.819 362 L CB 1.386 43.260 42.059 -0.308 0.000 1.311 362 L HN 0.760 nan 8.230 nan 0.000 0.423 363 N N 1.174 119.797 118.700 -0.129 0.000 2.294 363 N HA 0.058 4.797 4.740 -0.002 0.000 0.248 363 N C 0.952 176.360 175.510 -0.169 0.000 1.300 363 N CA -0.332 52.638 53.050 -0.133 0.000 0.925 363 N CB 0.394 38.793 38.487 -0.146 0.000 1.188 363 N HN 0.575 nan 8.380 nan 0.000 0.512 364 R N 0.023 120.409 120.500 -0.190 0.000 2.113 364 R HA -0.193 4.146 4.340 -0.002 0.000 0.244 364 R C 0.909 177.045 176.300 -0.272 0.000 1.142 364 R CA 1.941 57.925 56.100 -0.194 0.000 0.953 364 R CB -0.448 29.743 30.300 -0.181 0.000 0.860 364 R HN 0.695 nan 8.270 nan 0.000 0.438 365 E N -0.671 119.288 120.200 -0.401 0.000 2.515 365 E HA 0.096 4.444 4.350 -0.002 0.000 0.201 365 E C 1.042 177.483 176.600 -0.266 0.000 1.071 365 E CA 0.981 57.081 56.400 -0.500 0.000 0.880 365 E CB 0.042 29.460 29.700 -0.471 0.000 0.828 365 E HN 0.660 nan 8.360 nan 0.000 0.540 366 G N 0.005 108.660 108.800 -0.241 0.000 2.157 366 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.248 366 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.248 366 G C 0.183 174.894 174.900 -0.316 0.000 0.979 366 G CA -0.043 44.889 45.100 -0.280 0.000 0.650 366 G HN 0.067 nan 8.290 nan 0.000 0.529 367 K N 0.468 120.711 120.400 -0.263 0.000 2.185 367 K HA 0.497 4.816 4.320 -0.002 0.000 0.271 367 K C 0.827 177.260 176.600 -0.278 0.000 1.013 367 K CA -0.603 55.531 56.287 -0.256 0.000 0.943 367 K CB 1.728 34.105 32.500 -0.204 0.000 0.998 367 K HN 0.087 nan 8.250 nan 0.000 0.468 368 V N 3.125 122.835 119.914 -0.340 0.000 2.458 368 V HA -0.067 4.052 4.120 -0.002 0.000 0.287 368 V C 1.362 177.305 176.094 -0.252 0.000 1.009 368 V CA 0.528 62.587 62.300 -0.403 0.000 1.091 368 V CB 0.364 31.754 31.823 -0.722 0.000 0.960 368 V HN 0.914 nan 8.190 nan 0.000 0.476 369 A N 5.832 128.565 122.820 -0.144 0.000 1.956 369 A HA 0.388 4.707 4.320 -0.002 0.000 0.212 369 A C 0.477 178.027 177.584 -0.055 0.000 1.188 369 A CA 0.635 52.625 52.037 -0.079 0.000 0.675 369 A CB 0.110 19.097 19.000 -0.021 0.000 0.845 369 A HN 0.564 nan 8.150 nan 0.000 0.455 370 L N -0.438 120.788 121.223 0.004 0.000 2.410 370 L HA 0.335 4.673 4.340 -0.002 0.000 0.270 370 L C 1.139 178.064 176.870 0.092 0.000 0.983 370 L CA 0.272 55.128 54.840 0.028 0.000 0.822 370 L CB 2.109 44.193 42.059 0.041 0.000 1.285 370 L HN 0.260 nan 8.230 nan 0.000 0.409 371 T N -0.843 113.751 114.554 0.068 0.000 3.148 371 T HA 0.166 4.515 4.350 -0.002 0.000 0.253 371 T C 0.776 175.655 174.700 0.299 0.000 1.134 371 T CA -0.090 62.154 62.100 0.240 0.000 1.051 371 T CB -0.626 68.323 68.868 0.135 0.000 0.959 371 T HN 0.436 nan 8.240 nan 0.000 0.525 372 I N -1.040 119.631 120.570 0.168 0.000 2.692 372 I HA 0.321 4.489 4.170 -0.002 0.000 0.284 372 I C 0.927 177.123 176.117 0.133 0.000 1.159 372 I CA -0.660 60.717 61.300 0.128 0.000 1.423 372 I CB 0.833 38.895 38.000 0.102 0.000 1.380 372 I HN -0.238 nan 8.210 nan 0.000 0.580 373 K N 4.190 124.614 120.400 0.040 0.000 2.352 373 K HA 0.335 4.654 4.320 -0.002 0.000 0.194 373 K C 0.457 177.058 176.600 0.002 0.000 1.038 373 K CA 0.254 56.457 56.287 -0.140 0.000 1.023 373 K CB 0.809 33.058 32.500 -0.419 0.000 0.840 373 K HN 0.950 nan 8.250 nan 0.000 0.519 374 G N -0.658 108.247 108.800 0.176 0.000 2.698 374 G HA2 0.568 4.527 3.960 -0.002 0.000 0.293 374 G HA3 0.568 4.527 3.960 -0.002 0.000 0.293 374 G C -0.709 174.380 174.900 0.315 0.000 1.437 374 G CA -0.088 45.192 45.100 0.299 0.000 0.852 374 G HN 0.179 nan 8.290 nan 0.000 0.499 375 G N -0.598 108.346 108.800 0.239 0.000 2.510 375 G HA2 0.614 4.573 3.960 -0.002 0.000 0.277 375 G HA3 0.614 4.573 3.960 -0.002 0.000 0.277 375 G C -2.357 172.435 174.900 -0.179 0.000 1.223 375 G CA 0.066 45.261 45.100 0.158 0.000 0.887 375 G HN 0.418 nan 8.290 nan 0.000 0.485 376 P HA 0.101 nan 4.420 nan 0.000 0.218 376 P C 0.615 177.183 177.300 -1.219 0.000 1.148 376 P CA 1.309 63.524 63.100 -1.474 0.000 0.822 376 P CB -0.019 30.950 31.700 -1.218 0.000 0.784 377 F N -1.855 118.067 119.950 -0.046 0.000 2.724 377 F HA 0.335 4.861 4.527 -0.002 0.000 0.310 377 F C 0.777 176.804 175.800 0.380 0.000 1.107 377 F CA -0.437 57.675 58.000 0.185 0.000 1.218 377 F CB 0.501 39.698 39.000 0.327 0.000 1.042 377 F HN -0.310 nan 8.300 nan 0.000 0.540 378 K N 0.923 121.533 120.400 0.350 0.000 2.507 378 K HA 0.686 5.005 4.320 -0.002 0.000 0.252 378 K C -0.264 176.485 176.600 0.247 0.000 0.943 378 K CA -0.416 56.031 56.287 0.266 0.000 0.808 378 K CB 1.376 33.774 32.500 -0.169 0.000 1.142 378 K HN 0.201 nan 8.250 nan 0.000 0.426 379 G N 1.002 109.926 108.800 0.207 0.000 3.183 379 G HA2 0.191 4.150 3.960 -0.002 0.000 0.247 379 G HA3 0.191 4.150 3.960 -0.002 0.000 0.247 379 G C -1.185 173.417 174.900 -0.496 0.000 1.211 379 G CA -0.539 44.507 45.100 -0.090 0.000 0.835 379 G HN 0.620 nan 8.290 nan 0.000 0.604 380 C N 1.139 119.722 119.300 -1.194 0.000 2.400 380 C HA 0.710 5.169 4.460 -0.002 0.000 0.457 380 C C 0.433 175.246 174.990 -0.294 0.000 1.020 380 C CA -0.470 57.823 59.018 -1.209 0.000 1.258 380 C CB -2.505 24.321 27.740 -1.523 0.000 1.532 380 C HN 0.528 nan 8.230 nan 0.000 0.537 381 F N 1.707 121.505 119.950 -0.254 0.000 1.837 381 F HA 0.243 4.769 4.527 -0.002 0.000 0.229 381 F C 1.910 177.694 175.800 -0.026 0.000 1.246 381 F CA 0.517 58.439 58.000 -0.131 0.000 1.302 381 F CB -0.376 38.474 39.000 -0.250 0.000 1.918 381 F HN 0.369 nan 8.300 nan 0.000 0.224 382 H N 0.724 119.784 119.070 -0.018 0.000 2.321 382 H HA -0.134 4.421 4.556 -0.002 0.000 0.295 382 H C 2.206 177.495 175.328 -0.066 0.000 1.102 382 H CA 2.517 58.515 56.048 -0.084 0.000 1.266 382 H CB -0.587 29.277 29.762 0.171 0.000 1.363 382 H HN 0.186 nan 8.280 nan 0.000 0.492 383 V N 1.727 121.702 119.914 0.102 0.000 2.229 383 V HA -0.172 3.946 4.120 -0.002 0.000 0.243 383 V C -0.389 175.563 176.094 -0.238 0.000 1.042 383 V CA 2.220 64.358 62.300 -0.271 0.000 1.000 383 V CB -1.471 29.993 31.823 -0.598 0.000 0.637 383 V HN 0.402 nan 8.190 nan 0.000 0.446 384 P HA -0.198 nan 4.420 nan 0.000 0.218 384 P C 1.602 178.861 177.300 -0.070 0.000 1.149 384 P CA 1.471 64.505 63.100 -0.110 0.000 0.817 384 P CB -0.189 31.453 31.700 -0.097 0.000 0.785 385 R N 0.225 120.683 120.500 -0.070 0.000 2.092 385 R HA -0.113 4.225 4.340 -0.002 0.000 0.231 385 R C 2.410 178.695 176.300 -0.024 0.000 1.119 385 R CA 1.678 57.768 56.100 -0.016 0.000 0.970 385 R CB -1.131 29.090 30.300 -0.132 0.000 0.864 385 R HN 0.218 nan 8.270 nan 0.000 0.440 386 C N 0.555 119.835 119.300 -0.034 0.000 2.453 386 C HA 0.021 4.479 4.460 -0.002 0.000 0.277 386 C C 2.658 177.689 174.990 0.070 0.000 1.262 386 C CA 0.449 59.472 59.018 0.008 0.000 1.718 386 C CB -1.068 26.710 27.740 0.064 0.000 2.031 386 C HN 0.544 nan 8.230 nan 0.000 0.480 387 L N 1.625 122.899 121.223 0.085 0.000 2.056 387 L HA -0.019 4.320 4.340 -0.002 0.000 0.207 387 L C 3.183 180.133 176.870 0.133 0.000 1.078 387 L CA 1.626 56.572 54.840 0.177 0.000 0.749 387 L CB -0.898 41.270 42.059 0.182 0.000 0.901 387 L HN 0.479 nan 8.230 nan 0.000 0.433 388 A N 0.190 123.047 122.820 0.062 0.000 1.858 388 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 388 A C 2.346 179.953 177.584 0.038 0.000 1.190 388 A CA 1.731 53.797 52.037 0.048 0.000 0.617 388 A CB -0.484 18.509 19.000 -0.012 0.000 0.827 388 A HN 0.323 nan 8.150 nan 0.000 0.443 389 M N -0.940 118.661 119.600 0.003 0.000 2.117 389 M HA -0.197 4.281 4.480 -0.002 0.000 0.262 389 M C 2.441 178.718 176.300 -0.038 0.000 1.065 389 M CA 1.385 56.657 55.300 -0.046 0.000 1.114 389 M CB -0.923 31.583 32.600 -0.156 0.000 1.361 389 M HN 0.551 nan 8.290 nan 0.000 0.408 390 C N 0.565 119.871 119.300 0.009 0.000 2.453 390 C HA -0.147 4.312 4.460 -0.002 0.000 0.277 390 C C 2.708 177.725 174.990 0.046 0.000 1.262 390 C CA 1.347 60.380 59.018 0.024 0.000 1.718 390 C CB -1.058 26.779 27.740 0.163 0.000 2.031 390 C HN 0.636 nan 8.230 nan 0.000 0.480 391 E N 1.262 121.524 120.200 0.102 0.000 2.085 391 E HA -0.250 4.098 4.350 -0.002 0.000 0.194 391 E C 1.843 178.483 176.600 0.067 0.000 0.994 391 E CA 1.719 58.188 56.400 0.114 0.000 0.801 391 E CB -0.210 29.576 29.700 0.144 0.000 0.743 391 E HN 0.667 nan 8.360 nan 0.000 0.453 392 E N 0.204 120.429 120.200 0.042 0.000 2.015 392 E HA -0.182 4.167 4.350 -0.002 0.000 0.191 392 E C 2.318 178.918 176.600 0.000 0.000 0.991 392 E CA 1.510 57.923 56.400 0.022 0.000 0.802 392 E CB -0.201 29.507 29.700 0.013 0.000 0.759 392 E HN 0.392 nan 8.360 nan 0.000 0.447 393 M N 0.662 120.245 119.600 -0.028 0.000 2.106 393 M HA -0.210 4.269 4.480 -0.002 0.000 0.259 393 M C 2.382 178.653 176.300 -0.049 0.000 1.068 393 M CA 1.387 56.653 55.300 -0.057 0.000 1.100 393 M CB -0.340 32.197 32.600 -0.107 0.000 1.351 393 M HN 0.142 nan 8.290 nan 0.000 0.404 394 L N -1.042 120.160 121.223 -0.035 0.000 1.994 394 L HA -0.217 4.122 4.340 -0.002 0.000 0.208 394 L C 2.761 179.645 176.870 0.023 0.000 1.071 394 L CA 1.486 56.324 54.840 -0.003 0.000 0.745 394 L CB -0.851 41.236 42.059 0.046 0.000 0.892 394 L HN 0.333 nan 8.230 nan 0.000 0.431 395 S N -0.134 115.585 115.700 0.032 0.000 2.380 395 S HA -0.301 4.167 4.470 -0.002 0.000 0.229 395 S C 2.053 176.663 174.600 0.016 0.000 1.043 395 S CA 1.627 59.846 58.200 0.031 0.000 1.038 395 S CB -0.186 63.034 63.200 0.032 0.000 0.872 395 S HN 0.451 nan 8.310 nan 0.000 0.456 396 A N 0.940 123.762 122.820 0.003 0.000 1.929 396 A HA 0.167 4.486 4.320 -0.002 0.000 0.216 396 A C 2.290 179.867 177.584 -0.012 0.000 1.176 396 A CA 1.226 53.258 52.037 -0.008 0.000 0.628 396 A CB -0.662 18.327 19.000 -0.018 0.000 0.816 396 A HN 0.578 nan 8.150 nan 0.000 0.444 397 L N -0.794 120.422 121.223 -0.011 0.000 2.056 397 L HA -0.115 4.224 4.340 -0.002 0.000 0.207 397 L C 2.205 179.088 176.870 0.021 0.000 1.078 397 L CA 0.961 55.799 54.840 -0.004 0.000 0.749 397 L CB -0.417 41.653 42.059 0.017 0.000 0.901 397 L HN 0.341 nan 8.230 nan 0.000 0.433 398 L N -1.274 119.969 121.223 0.034 0.000 2.549 398 L HA -0.102 4.237 4.340 -0.002 0.000 0.229 398 L C 2.295 179.180 176.870 0.026 0.000 1.158 398 L CA 0.325 55.189 54.840 0.040 0.000 0.842 398 L CB -0.241 41.847 42.059 0.049 0.000 0.952 398 L HN 0.093 nan 8.230 nan 0.000 0.452 399 S N -0.544 115.165 115.700 0.015 0.000 2.593 399 S HA 0.112 4.580 4.470 -0.002 0.000 0.217 399 S C 1.700 176.302 174.600 0.003 0.000 0.966 399 S CA 0.234 58.438 58.200 0.008 0.000 0.914 399 S CB 0.027 63.229 63.200 0.003 0.000 0.776 399 S HN 0.412 nan 8.310 nan 0.000 0.523 400 R N -0.531 119.971 120.500 0.003 0.000 2.446 400 R HA 0.291 4.629 4.340 -0.002 0.000 0.254 400 R C 0.467 176.771 176.300 0.008 0.000 0.918 400 R CA -0.068 56.030 56.100 -0.002 0.000 1.069 400 R CB 0.133 30.422 30.300 -0.018 0.000 1.194 400 R HN 0.231 nan 8.270 nan 0.000 0.534 401 L N 0.599 121.833 121.223 0.019 0.000 2.556 401 L HA 0.318 4.657 4.340 -0.002 0.000 0.226 401 L C 1.084 177.968 176.870 0.024 0.000 1.089 401 L CA 0.319 55.176 54.840 0.028 0.000 0.864 401 L CB -0.071 42.015 42.059 0.045 0.000 1.067 401 L HN 0.035 nan 8.230 nan 0.000 0.477 402 A N 0.000 122.831 122.820 0.019 0.000 2.254 402 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 402 A CA 0.000 52.046 52.037 0.016 0.000 0.836 402 A CB 0.000 19.008 19.000 0.014 0.000 0.831 402 A HN 0.000 nan 8.150 nan 0.000 0.486