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 1sv5_1_B DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWY 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.307 177.300 0.012 0.000 1.155 1 P CA 0.000 63.106 63.100 0.010 0.000 0.800 1 P CB 0.000 31.702 31.700 0.004 0.000 0.726 2 I N 1.750 122.329 120.570 0.016 0.000 2.826 2 I HA -0.089 4.081 4.170 -0.000 0.000 0.295 2 I C 2.184 178.315 176.117 0.024 0.000 1.213 2 I CA 0.916 62.227 61.300 0.019 0.000 1.436 2 I CB 0.558 38.576 38.000 0.029 0.000 1.348 2 I HN 0.215 nan 8.210 nan 0.000 0.570 3 S N 7.469 123.182 115.700 0.021 0.000 2.393 3 S HA -0.143 4.326 4.470 -0.000 0.000 0.235 3 S C -1.345 173.274 174.600 0.030 0.000 1.061 3 S CA 0.401 58.614 58.200 0.023 0.000 1.129 3 S CB -2.132 61.081 63.200 0.022 0.000 1.011 3 S HN 0.552 nan 8.310 nan 0.000 0.436 4 P HA 0.163 nan 4.420 nan 0.000 0.265 4 P C -0.010 177.318 177.300 0.047 0.000 1.187 4 P CA 0.136 63.263 63.100 0.046 0.000 0.766 4 P CB -0.054 31.681 31.700 0.059 0.000 0.820 5 I N 2.761 123.359 120.570 0.046 0.000 3.524 5 I HA -0.219 3.951 4.170 -0.000 0.000 0.330 5 I C 0.866 177.016 176.117 0.055 0.000 1.130 5 I CA 0.884 62.212 61.300 0.046 0.000 2.562 5 I CB -1.458 36.569 38.000 0.045 0.000 1.782 5 I HN 0.600 nan 8.210 nan 0.000 1.224 6 E N -0.059 120.173 120.200 0.053 0.000 3.680 6 E HA -0.240 4.110 4.350 -0.000 0.000 0.309 6 E C 0.418 177.065 176.600 0.078 0.000 0.793 6 E CA 1.125 57.562 56.400 0.061 0.000 1.083 6 E CB -1.401 28.337 29.700 0.064 0.000 1.548 6 E HN 0.813 nan 8.360 nan 0.000 0.456 7 T N -1.221 113.380 114.554 0.078 0.000 2.817 7 T HA 0.473 4.823 4.350 -0.000 0.000 0.293 7 T C 0.224 174.983 174.700 0.098 0.000 0.964 7 T CA -0.735 61.422 62.100 0.095 0.000 1.085 7 T CB 2.089 71.013 68.868 0.094 0.000 0.921 7 T HN -0.009 nan 8.240 nan 0.000 0.502 8 V N 6.414 126.403 119.914 0.125 0.000 2.304 8 V HA 0.260 4.380 4.120 -0.000 0.000 0.262 8 V C -2.045 174.159 176.094 0.182 0.000 1.061 8 V CA -1.984 60.400 62.300 0.141 0.000 0.872 8 V CB 0.341 32.274 31.823 0.184 0.000 1.077 8 V HN 0.805 nan 8.190 nan 0.000 0.480 9 P HA -0.095 nan 4.420 nan 0.000 0.255 9 P C -0.372 177.083 177.300 0.259 0.000 1.141 9 P CA 0.847 64.042 63.100 0.159 0.000 0.767 9 P CB 0.160 31.931 31.700 0.118 0.000 0.726 10 V N 5.087 125.125 119.914 0.205 0.000 2.630 10 V HA 0.592 4.712 4.120 -0.000 0.000 0.305 10 V C 0.380 176.567 176.094 0.155 0.000 1.046 10 V CA -0.310 62.095 62.300 0.176 0.000 0.934 10 V CB 1.889 33.295 31.823 -0.695 0.000 1.003 10 V HN 0.530 nan 8.190 nan 0.000 0.451 11 K N 3.691 124.271 120.400 0.299 0.000 2.543 11 K HA 0.598 4.918 4.320 -0.000 0.000 0.255 11 K C -1.366 175.389 176.600 0.259 0.000 0.934 11 K CA -0.890 55.573 56.287 0.293 0.000 0.810 11 K CB 1.736 34.411 32.500 0.290 0.000 1.315 11 K HN 0.416 nan 8.250 nan 0.000 0.433 12 L N 2.285 123.566 121.223 0.096 0.000 2.479 12 L HA 0.177 4.517 4.340 -0.000 0.000 0.270 12 L C 0.557 177.363 176.870 -0.107 0.000 1.236 12 L CA -0.181 54.628 54.840 -0.053 0.000 0.823 12 L CB 0.016 41.905 42.059 -0.283 0.000 1.098 12 L HN 0.692 nan 8.230 nan 0.000 0.500 13 K N 1.598 121.886 120.400 -0.186 0.000 2.258 13 K HA 0.211 4.531 4.320 -0.000 0.000 0.264 13 K C -2.130 174.244 176.600 -0.377 0.000 1.007 13 K CA -1.485 54.516 56.287 -0.477 0.000 0.941 13 K CB -0.013 32.300 32.500 -0.311 0.000 0.966 13 K HN 0.422 nan 8.250 nan 0.000 0.480 14 P HA -0.167 nan 4.420 nan 0.000 0.263 14 P C 0.250 177.464 177.300 -0.144 0.000 1.162 14 P CA 0.684 63.636 63.100 -0.246 0.000 0.758 14 P CB 0.096 31.662 31.700 -0.224 0.000 0.773 15 G N 1.819 110.565 108.800 -0.090 0.000 2.412 15 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.297 15 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.297 15 G C -0.216 174.648 174.900 -0.059 0.000 0.965 15 G CA 0.623 45.689 45.100 -0.056 0.000 1.134 15 G HN 0.673 nan 8.290 nan 0.000 0.511 16 M N -0.241 119.315 119.600 -0.074 0.000 2.421 16 M HA 0.592 5.072 4.480 -0.000 0.000 0.287 16 M C -1.088 175.162 176.300 -0.084 0.000 1.183 16 M CA -0.816 54.438 55.300 -0.076 0.000 0.916 16 M CB 2.116 34.653 32.600 -0.105 0.000 1.701 16 M HN 0.296 nan 8.290 nan 0.000 0.470 17 D N 2.039 122.406 120.400 -0.055 0.000 2.490 17 D HA 0.716 5.356 4.640 -0.000 0.000 0.232 17 D C 0.081 176.350 176.300 -0.052 0.000 1.053 17 D CA -0.280 53.706 54.000 -0.023 0.000 0.914 17 D CB 1.834 42.700 40.800 0.110 0.000 1.431 17 D HN 0.863 nan 8.370 nan 0.000 0.483 18 G N 1.221 109.946 108.800 -0.124 0.000 2.852 18 G HA2 0.137 4.097 3.960 -0.000 0.000 0.228 18 G HA3 0.137 4.097 3.960 -0.000 0.000 0.228 18 G C -2.076 172.909 174.900 0.141 0.000 1.227 18 G CA -0.704 44.258 45.100 -0.230 0.000 0.854 18 G HN 0.551 nan 8.290 nan 0.000 0.573 19 P HA 0.263 nan 4.420 nan 0.000 0.280 19 P C -0.713 176.700 177.300 0.190 0.000 1.244 19 P CA -0.201 62.974 63.100 0.124 0.000 0.784 19 P CB 1.247 32.998 31.700 0.086 0.000 0.913 20 K N 1.832 122.292 120.400 0.100 0.000 3.202 20 K HA 0.275 4.595 4.320 -0.000 0.000 0.206 20 K C -0.383 176.207 176.600 -0.016 0.000 1.142 20 K CA -0.466 55.845 56.287 0.041 0.000 0.979 20 K CB 0.904 33.408 32.500 0.006 0.000 0.863 20 K HN 0.241 nan 8.250 nan 0.000 0.479 21 V N 1.585 121.490 119.914 -0.014 0.000 2.649 21 V HA 0.133 4.253 4.120 -0.000 0.000 0.292 21 V C 0.505 176.503 176.094 -0.159 0.000 1.055 21 V CA -0.541 61.714 62.300 -0.075 0.000 1.023 21 V CB 0.903 32.709 31.823 -0.028 0.000 0.992 21 V HN 0.304 nan 8.190 nan 0.000 0.480 22 K N 2.661 122.887 120.400 -0.290 0.000 2.218 22 K HA 0.335 4.655 4.320 -0.000 0.000 0.276 22 K C -0.221 176.067 176.600 -0.521 0.000 1.022 22 K CA -0.493 55.570 56.287 -0.373 0.000 0.946 22 K CB 0.754 33.003 32.500 -0.418 0.000 1.000 22 K HN 0.629 nan 8.250 nan 0.000 0.468 23 Q N 3.182 122.791 119.800 -0.318 0.000 2.294 23 Q HA 0.063 4.403 4.340 -0.000 0.000 0.257 23 Q C -0.935 174.964 176.000 -0.169 0.000 0.955 23 Q CA -0.240 55.444 55.803 -0.198 0.000 0.936 23 Q CB 0.568 29.253 28.738 -0.088 0.000 1.188 23 Q HN 0.410 nan 8.270 nan 0.000 0.420 24 W N 4.916 126.205 121.300 -0.019 0.000 2.093 24 W HA 0.250 4.910 4.660 -0.000 0.000 0.352 24 W C -1.961 174.565 176.519 0.010 0.000 1.294 24 W CA -1.317 56.056 57.345 0.046 0.000 1.290 24 W CB 0.321 29.881 29.460 0.167 0.000 1.149 24 W HN 0.556 nan 8.180 nan 0.000 0.606 25 P HA 0.429 nan 4.420 nan 0.000 0.290 25 P C -0.838 176.527 177.300 0.108 0.000 1.275 25 P CA -0.300 62.871 63.100 0.118 0.000 0.841 25 P CB 1.427 33.163 31.700 0.061 0.000 1.042 26 L N 0.562 121.815 121.223 0.050 0.000 2.298 26 L HA 0.622 4.962 4.340 -0.000 0.000 0.268 26 L C 1.163 178.013 176.870 -0.032 0.000 1.010 26 L CA -0.905 53.938 54.840 0.005 0.000 0.812 26 L CB 0.910 42.963 42.059 -0.010 0.000 1.331 26 L HN 0.351 nan 8.230 nan 0.000 0.450 27 T N -3.668 110.851 114.554 -0.059 0.000 2.813 27 T HA 0.122 4.472 4.350 -0.000 0.000 0.297 27 T C 0.769 175.432 174.700 -0.061 0.000 1.036 27 T CA -0.542 61.529 62.100 -0.050 0.000 1.044 27 T CB 0.728 69.571 68.868 -0.042 0.000 0.993 27 T HN 0.669 nan 8.240 nan 0.000 0.535 28 E N 0.081 120.256 120.200 -0.042 0.000 2.204 28 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 28 E C 1.981 178.537 176.600 -0.072 0.000 0.990 28 E CA 1.017 57.389 56.400 -0.047 0.000 0.821 28 E CB -0.074 29.612 29.700 -0.024 0.000 0.750 28 E HN 0.885 nan 8.360 nan 0.000 0.477 29 E N 1.888 122.047 120.200 -0.068 0.000 2.021 29 E HA -0.250 4.100 4.350 -0.000 0.000 0.200 29 E C 1.881 178.317 176.600 -0.272 0.000 1.015 29 E CA 1.664 58.012 56.400 -0.086 0.000 0.824 29 E CB 0.134 29.829 29.700 -0.007 0.000 0.762 29 E HN 0.099 nan 8.360 nan 0.000 0.454 30 K N 0.057 120.236 120.400 -0.369 0.000 2.063 30 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 30 K C 2.319 178.726 176.600 -0.322 0.000 1.048 30 K CA 1.470 57.444 56.287 -0.522 0.000 0.928 30 K CB -0.289 31.976 32.500 -0.392 0.000 0.713 30 K HN 0.291 nan 8.250 nan 0.000 0.442 31 I N 1.546 122.005 120.570 -0.185 0.000 2.264 31 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 31 I C 2.282 178.331 176.117 -0.113 0.000 1.111 31 I CA 1.442 62.673 61.300 -0.114 0.000 1.382 31 I CB -0.154 37.805 38.000 -0.068 0.000 1.060 31 I HN 0.165 nan 8.210 nan 0.000 0.418 32 K N 0.616 120.939 120.400 -0.129 0.000 2.057 32 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 32 K C 2.287 178.812 176.600 -0.125 0.000 1.050 32 K CA 1.392 57.622 56.287 -0.095 0.000 0.935 32 K CB -0.255 32.205 32.500 -0.066 0.000 0.715 32 K HN 0.299 nan 8.250 nan 0.000 0.439 33 A N 1.732 124.395 122.820 -0.263 0.000 1.851 33 A HA -0.183 4.136 4.320 -0.000 0.000 0.216 33 A C 2.155 179.631 177.584 -0.181 0.000 1.195 33 A CA 1.441 53.285 52.037 -0.321 0.000 0.622 33 A CB -0.917 17.528 19.000 -0.924 0.000 0.831 33 A HN 0.180 nan 8.150 nan 0.000 0.444 34 L N -0.273 120.832 121.223 -0.196 0.000 2.081 34 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 34 L C 2.464 179.313 176.870 -0.035 0.000 1.080 34 L CA 1.267 56.049 54.840 -0.097 0.000 0.754 34 L CB -0.529 41.485 42.059 -0.075 0.000 0.893 34 L HN 0.294 nan 8.230 nan 0.000 0.433 35 V N -0.809 119.090 119.914 -0.025 0.000 2.548 35 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 35 V C 2.352 178.450 176.094 0.008 0.000 1.055 35 V CA 1.488 63.800 62.300 0.019 0.000 1.065 35 V CB -0.366 31.470 31.823 0.021 0.000 0.681 35 V HN 0.452 nan 8.190 nan 0.000 0.462 36 E N 0.239 120.434 120.200 -0.009 0.000 2.046 36 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 36 E C 2.276 178.876 176.600 -0.001 0.000 0.982 36 E CA 1.187 57.589 56.400 0.004 0.000 0.800 36 E CB -0.047 29.661 29.700 0.014 0.000 0.756 36 E HN 0.547 nan 8.360 nan 0.000 0.449 37 I N 0.716 121.281 120.570 -0.008 0.000 2.099 37 I HA -0.385 3.785 4.170 -0.000 0.000 0.239 37 I C 2.633 178.717 176.117 -0.054 0.000 1.066 37 I CA 1.088 62.383 61.300 -0.009 0.000 1.324 37 I CB -0.440 37.555 38.000 -0.008 0.000 1.037 37 I HN 0.336 nan 8.210 nan 0.000 0.401 38 C N 0.244 119.482 119.300 -0.103 0.000 2.425 38 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 38 C C 2.986 177.849 174.990 -0.212 0.000 1.280 38 C CA 1.369 60.235 59.018 -0.254 0.000 1.744 38 C CB -1.228 26.282 27.740 -0.383 0.000 1.989 38 C HN 0.534 nan 8.230 nan 0.000 0.491 39 T N 0.544 115.058 114.554 -0.066 0.000 2.803 39 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 39 T C 1.656 176.343 174.700 -0.023 0.000 1.052 39 T CA 1.600 63.696 62.100 -0.007 0.000 1.136 39 T CB -0.225 68.658 68.868 0.026 0.000 0.864 39 T HN 0.513 nan 8.240 nan 0.000 0.467 40 E N 0.794 120.977 120.200 -0.029 0.000 2.016 40 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 40 E C 2.158 178.737 176.600 -0.035 0.000 0.985 40 E CA 0.908 57.300 56.400 -0.014 0.000 0.802 40 E CB -0.441 29.263 29.700 0.006 0.000 0.762 40 E HN 0.405 nan 8.360 nan 0.000 0.448 41 M N 0.335 119.890 119.600 -0.075 0.000 2.089 41 M HA -0.298 4.181 4.480 -0.000 0.000 0.257 41 M C 2.233 178.459 176.300 -0.123 0.000 1.071 41 M CA 1.953 57.182 55.300 -0.118 0.000 1.096 41 M CB -0.220 32.257 32.600 -0.205 0.000 1.330 41 M HN 0.143 nan 8.290 nan 0.000 0.403 42 E N 0.271 120.391 120.200 -0.134 0.000 2.049 42 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 42 E C 1.777 178.368 176.600 -0.015 0.000 1.007 42 E CA 1.818 58.189 56.400 -0.048 0.000 0.809 42 E CB 0.029 29.757 29.700 0.046 0.000 0.749 42 E HN 0.455 nan 8.360 nan 0.000 0.450 43 K N 0.084 120.480 120.400 -0.007 0.000 2.097 43 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 43 K C 1.889 178.494 176.600 0.008 0.000 1.049 43 K CA 1.557 57.848 56.287 0.006 0.000 0.933 43 K CB -0.048 32.458 32.500 0.011 0.000 0.717 43 K HN 0.201 nan 8.250 nan 0.000 0.442 44 E N -0.176 120.026 120.200 0.003 0.000 2.511 44 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 44 E C 0.609 177.215 176.600 0.010 0.000 1.066 44 E CA 0.246 56.657 56.400 0.018 0.000 0.871 44 E CB 0.215 29.934 29.700 0.032 0.000 0.863 44 E HN 0.444 nan 8.360 nan 0.000 0.520 45 G N 1.791 110.588 108.800 -0.005 0.000 2.283 45 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.280 45 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.280 45 G C 0.730 175.617 174.900 -0.022 0.000 1.029 45 G CA 0.921 46.017 45.100 -0.006 0.000 0.840 45 G HN 0.299 nan 8.290 nan 0.000 0.505 46 K N -0.721 119.636 120.400 -0.072 0.000 2.186 46 K HA 0.285 4.605 4.320 -0.000 0.000 0.202 46 K C 1.516 178.034 176.600 -0.137 0.000 1.052 46 K CA 1.289 57.504 56.287 -0.121 0.000 0.965 46 K CB 0.248 32.578 32.500 -0.283 0.000 0.746 46 K HN 0.801 nan 8.250 nan 0.000 0.457 47 I N -2.102 118.361 120.570 -0.178 0.000 2.892 47 I HA 0.427 4.597 4.170 -0.000 0.000 0.306 47 I C -0.836 175.258 176.117 -0.039 0.000 1.078 47 I CA -1.027 60.162 61.300 -0.185 0.000 1.032 47 I CB 2.437 40.220 38.000 -0.361 0.000 1.229 47 I HN -0.182 nan 8.210 nan 0.000 0.435 48 S N 1.878 117.596 115.700 0.030 0.000 2.595 48 S HA 0.549 5.019 4.470 -0.000 0.000 0.281 48 S C -0.870 173.769 174.600 0.065 0.000 1.117 48 S CA -1.170 57.069 58.200 0.066 0.000 0.873 48 S CB 1.854 65.060 63.200 0.010 0.000 1.108 48 S HN 0.657 nan 8.310 nan 0.000 0.477 49 K N 1.245 121.631 120.400 -0.023 0.000 2.298 49 K HA 0.432 4.752 4.320 -0.000 0.000 0.280 49 K C 0.037 176.526 176.600 -0.185 0.000 1.032 49 K CA -0.299 55.855 56.287 -0.223 0.000 0.958 49 K CB 0.389 32.719 32.500 -0.283 0.000 0.978 49 K HN 0.690 nan 8.250 nan 0.000 0.472 50 I N -1.790 118.639 120.570 -0.235 0.000 3.205 50 I HA 0.654 4.824 4.170 -0.000 0.000 0.310 50 I C 0.427 176.438 176.117 -0.177 0.000 1.089 50 I CA -0.886 60.306 61.300 -0.180 0.000 1.023 50 I CB 1.619 39.513 38.000 -0.178 0.000 1.269 50 I HN 0.561 nan 8.210 nan 0.000 0.512 51 G N 0.458 109.173 108.800 -0.142 0.000 3.212 51 G HA2 0.585 4.545 3.960 -0.000 0.000 0.188 51 G HA3 0.585 4.545 3.960 -0.000 0.000 0.188 51 G C -2.407 172.417 174.900 -0.126 0.000 1.254 51 G CA -0.834 44.188 45.100 -0.129 0.000 0.957 51 G HN 0.500 nan 8.290 nan 0.000 0.596 52 P HA 0.109 nan 4.420 nan 0.000 0.240 52 P C 1.004 178.235 177.300 -0.115 0.000 1.190 52 P CA 0.392 63.425 63.100 -0.112 0.000 0.781 52 P CB 0.389 32.030 31.700 -0.098 0.000 0.931 53 E N -0.277 119.861 120.200 -0.105 0.000 2.382 53 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 53 E C -0.188 176.339 176.600 -0.122 0.000 1.125 53 E CA 0.284 56.622 56.400 -0.103 0.000 0.929 53 E CB -0.856 28.795 29.700 -0.081 0.000 1.053 53 E HN 0.094 nan 8.360 nan 0.000 0.475 54 N N 1.977 120.591 118.700 -0.144 0.000 2.746 54 N HA 0.138 4.878 4.740 -0.000 0.000 0.250 54 N C -1.837 173.526 175.510 -0.245 0.000 1.146 54 N CA -1.657 51.299 53.050 -0.156 0.000 0.828 54 N CB 1.516 39.939 38.487 -0.107 0.000 1.158 54 N HN -0.039 nan 8.380 nan 0.000 0.519 55 P HA -0.078 nan 4.420 nan 0.000 0.225 55 P C -0.053 176.977 177.300 -0.450 0.000 1.148 55 P CA 0.641 63.457 63.100 -0.474 0.000 0.779 55 P CB 0.100 31.438 31.700 -0.604 0.000 0.780 56 Y N 1.375 121.623 120.300 -0.087 0.000 2.480 56 Y HA 0.270 4.820 4.550 -0.000 0.000 0.338 56 Y C 1.118 176.980 175.900 -0.063 0.000 1.220 56 Y CA 0.063 58.125 58.100 -0.063 0.000 1.430 56 Y CB -0.160 38.258 38.460 -0.070 0.000 1.311 56 Y HN 0.017 nan 8.280 nan 0.000 0.575 57 N N -0.136 118.651 118.700 0.146 0.000 2.999 57 N HA 0.131 4.871 4.740 -0.000 0.000 0.244 57 N C -1.770 173.782 175.510 0.070 0.000 1.106 57 N CA -0.324 52.767 53.050 0.068 0.000 1.018 57 N CB 0.979 39.458 38.487 -0.013 0.000 1.600 57 N HN 0.608 nan 8.380 nan 0.000 0.621 58 T N 2.957 117.573 114.554 0.103 0.000 2.867 58 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 58 T C -2.508 172.205 174.700 0.021 0.000 1.000 58 T CA -1.788 60.357 62.100 0.075 0.000 1.042 58 T CB 0.990 69.928 68.868 0.116 0.000 0.973 58 T HN 0.291 nan 8.240 nan 0.000 0.465 59 P HA 0.322 nan 4.420 nan 0.000 0.271 59 P C -1.202 175.969 177.300 -0.214 0.000 1.244 59 P CA -0.345 62.710 63.100 -0.075 0.000 0.793 59 P CB 0.437 32.199 31.700 0.104 0.000 0.984 60 V N -2.424 117.255 119.914 -0.393 0.000 2.924 60 V HA 0.656 4.776 4.120 -0.000 0.000 0.300 60 V C -1.482 174.331 176.094 -0.469 0.000 1.227 60 V CA -0.765 61.316 62.300 -0.364 0.000 0.954 60 V CB 1.049 32.749 31.823 -0.205 0.000 1.055 60 V HN 0.295 nan 8.190 nan 0.000 0.429 61 F N 2.264 122.211 119.950 -0.005 0.000 2.639 61 F HA 0.980 5.507 4.527 -0.000 0.000 0.339 61 F C 0.553 176.294 175.800 -0.099 0.000 1.071 61 F CA -0.532 57.431 58.000 -0.062 0.000 0.994 61 F CB 2.209 41.142 39.000 -0.112 0.000 1.341 61 F HN 0.902 nan 8.300 nan 0.000 0.498 62 A N 2.036 124.903 122.820 0.078 0.000 2.319 62 A HA 0.805 5.125 4.320 -0.000 0.000 0.310 62 A C -0.747 176.881 177.584 0.074 0.000 1.152 62 A CA -0.519 51.498 52.037 -0.034 0.000 0.783 62 A CB 0.445 19.248 19.000 -0.329 0.000 1.184 62 A HN 0.732 nan 8.150 nan 0.000 0.474 63 I N -1.506 119.192 120.570 0.212 0.000 3.294 63 I HA 0.741 4.911 4.170 -0.000 0.000 0.311 63 I C -0.859 175.444 176.117 0.311 0.000 1.111 63 I CA -1.289 60.161 61.300 0.251 0.000 0.976 63 I CB 2.316 40.384 38.000 0.113 0.000 1.260 63 I HN 0.421 nan 8.210 nan 0.000 0.474 64 K N 2.035 122.485 120.400 0.083 0.000 2.535 64 K HA 0.443 4.763 4.320 -0.000 0.000 0.253 64 K C -0.858 175.680 176.600 -0.104 0.000 0.953 64 K CA -0.675 55.561 56.287 -0.085 0.000 0.863 64 K CB 2.473 34.776 32.500 -0.328 0.000 1.111 64 K HN 0.465 nan 8.250 nan 0.000 0.431 65 K N 1.109 121.451 120.400 -0.097 0.000 2.829 65 K HA 0.133 4.453 4.320 -0.000 0.000 0.302 65 K C 1.176 177.693 176.600 -0.139 0.000 1.028 65 K CA -0.231 55.976 56.287 -0.132 0.000 1.054 65 K CB 0.300 32.720 32.500 -0.133 0.000 1.279 65 K HN 0.245 nan 8.250 nan 0.000 0.485 66 K N 0.949 121.247 120.400 -0.170 0.000 2.259 66 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 66 K C 0.897 177.470 176.600 -0.045 0.000 1.044 66 K CA 1.985 58.176 56.287 -0.160 0.000 0.931 66 K CB -1.388 30.807 32.500 -0.508 0.000 0.726 66 K HN 0.755 nan 8.250 nan 0.000 0.467 67 D N 0.418 120.746 120.400 -0.120 0.000 2.447 67 D HA 0.260 4.900 4.640 -0.000 0.000 0.265 67 D C 0.495 176.739 176.300 -0.094 0.000 1.250 67 D CA 0.245 54.204 54.000 -0.068 0.000 1.046 67 D CB 0.374 41.111 40.800 -0.105 0.000 1.095 67 D HN 0.126 nan 8.370 nan 0.000 0.555 68 S N -2.937 112.691 115.700 -0.120 0.000 2.801 68 S HA 0.383 4.853 4.470 -0.000 0.000 0.236 68 S C 0.309 174.780 174.600 -0.216 0.000 0.852 68 S CA 0.562 58.651 58.200 -0.184 0.000 1.089 68 S CB 0.255 63.378 63.200 -0.128 0.000 1.376 68 S HN 0.898 nan 8.310 nan 0.000 0.470 69 T N 0.865 115.278 114.554 -0.236 0.000 3.482 69 T HA 0.309 4.659 4.350 -0.000 0.000 0.195 69 T C -0.487 174.051 174.700 -0.270 0.000 0.940 69 T CA 0.129 62.101 62.100 -0.213 0.000 1.044 69 T CB -0.241 68.560 68.868 -0.113 0.000 1.209 69 T HN 0.534 nan 8.240 nan 0.000 0.318 70 K N 0.846 121.149 120.400 -0.161 0.000 2.350 70 K HA 0.293 4.612 4.320 -0.000 0.000 0.279 70 K C -0.865 175.691 176.600 -0.073 0.000 1.027 70 K CA -0.630 55.615 56.287 -0.070 0.000 0.969 70 K CB 0.563 33.053 32.500 -0.017 0.000 0.954 70 K HN 0.441 nan 8.250 nan 0.000 0.474 71 W N 1.330 122.614 121.300 -0.027 0.000 2.260 71 W HA 0.390 5.050 4.660 -0.000 0.000 0.366 71 W C 0.545 177.050 176.519 -0.023 0.000 1.315 71 W CA -0.776 56.551 57.345 -0.030 0.000 1.458 71 W CB 0.906 30.351 29.460 -0.025 0.000 1.255 71 W HN 0.387 nan 8.180 nan 0.000 0.671 72 R N 1.957 122.652 120.500 0.324 0.000 2.564 72 R HA 0.167 4.507 4.340 -0.000 0.000 0.284 72 R C -1.107 175.271 176.300 0.130 0.000 1.031 72 R CA -0.906 55.295 56.100 0.167 0.000 0.904 72 R CB 1.958 32.322 30.300 0.106 0.000 1.199 72 R HN 0.584 nan 8.270 nan 0.000 0.443 73 K N 4.870 125.320 120.400 0.082 0.000 2.316 73 K HA 0.139 4.459 4.320 -0.000 0.000 0.289 73 K C -0.942 175.694 176.600 0.060 0.000 1.070 73 K CA -0.396 55.910 56.287 0.031 0.000 0.928 73 K CB 0.523 33.005 32.500 -0.032 0.000 1.039 73 K HN 0.353 nan 8.250 nan 0.000 0.480 74 L N 6.184 127.460 121.223 0.090 0.000 2.301 74 L HA 0.274 4.614 4.340 -0.000 0.000 0.278 74 L C -1.155 175.777 176.870 0.102 0.000 1.022 74 L CA -0.552 54.371 54.840 0.138 0.000 0.854 74 L CB 1.325 43.512 42.059 0.214 0.000 1.226 74 L HN 0.345 nan 8.230 nan 0.000 0.429 75 V N 3.718 123.611 119.914 -0.035 0.000 2.715 75 V HA 0.117 4.237 4.120 -0.000 0.000 0.299 75 V C 0.437 176.450 176.094 -0.134 0.000 1.054 75 V CA -0.197 61.946 62.300 -0.262 0.000 1.077 75 V CB 1.173 32.575 31.823 -0.701 0.000 0.972 75 V HN 0.748 nan 8.190 nan 0.000 0.484 76 D N 3.459 123.790 120.400 -0.115 0.000 2.943 76 D HA 0.161 4.800 4.640 -0.000 0.000 0.249 76 D C 0.489 176.833 176.300 0.074 0.000 1.231 76 D CA -0.436 53.622 54.000 0.096 0.000 0.979 76 D CB -0.320 40.631 40.800 0.251 0.000 1.053 76 D HN 0.395 nan 8.370 nan 0.000 0.504 77 F N 0.935 120.991 119.950 0.177 0.000 2.708 77 F HA 0.105 4.632 4.527 -0.000 0.000 0.299 77 F C 1.944 177.832 175.800 0.146 0.000 1.289 77 F CA 0.051 58.148 58.000 0.162 0.000 1.444 77 F CB -0.233 38.896 39.000 0.215 0.000 1.086 77 F HN 0.095 nan 8.300 nan 0.000 0.528 78 R N 0.219 120.874 120.500 0.258 0.000 2.080 78 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 78 R C 2.175 178.563 176.300 0.146 0.000 1.137 78 R CA 1.689 57.886 56.100 0.163 0.000 0.943 78 R CB -0.400 29.927 30.300 0.045 0.000 0.846 78 R HN 0.136 nan 8.270 nan 0.000 0.431 79 E N 0.545 120.824 120.200 0.132 0.000 2.031 79 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 79 E C 1.718 178.379 176.600 0.103 0.000 0.994 79 E CA 0.977 57.434 56.400 0.096 0.000 0.800 79 E CB -0.296 29.452 29.700 0.081 0.000 0.752 79 E HN 0.132 nan 8.360 nan 0.000 0.447 80 L N 1.006 122.320 121.223 0.152 0.000 2.129 80 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 80 L C 1.479 178.417 176.870 0.114 0.000 1.087 80 L CA 1.811 56.697 54.840 0.077 0.000 0.757 80 L CB -0.846 41.263 42.059 0.084 0.000 0.896 80 L HN 0.117 nan 8.230 nan 0.000 0.434 81 N N 0.323 119.149 118.700 0.211 0.000 2.028 81 N HA -0.181 4.559 4.740 -0.000 0.000 0.194 81 N C 1.772 177.366 175.510 0.140 0.000 1.050 81 N CA 1.701 54.883 53.050 0.221 0.000 0.848 81 N CB -0.349 38.254 38.487 0.194 0.000 1.038 81 N HN 0.374 nan 8.380 nan 0.000 0.423 82 K N 0.546 121.006 120.400 0.100 0.000 2.173 82 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 82 K C 1.962 178.598 176.600 0.059 0.000 1.046 82 K CA 1.246 57.575 56.287 0.070 0.000 0.929 82 K CB -0.085 32.441 32.500 0.044 0.000 0.720 82 K HN 0.154 nan 8.250 nan 0.000 0.453 83 R N -0.312 120.212 120.500 0.039 0.000 2.240 83 R HA -0.031 4.309 4.340 -0.000 0.000 0.203 83 R C 1.894 178.195 176.300 0.001 0.000 1.011 83 R CA 1.388 57.482 56.100 -0.010 0.000 1.007 83 R CB 0.203 30.458 30.300 -0.076 0.000 0.911 83 R HN 0.381 nan 8.270 nan 0.000 0.468 84 T N -3.309 111.292 114.554 0.078 0.000 3.257 84 T HA -0.078 4.271 4.350 -0.000 0.000 0.176 84 T C 1.540 176.388 174.700 0.248 0.000 0.892 84 T CA -0.332 61.846 62.100 0.130 0.000 1.147 84 T CB -0.643 68.296 68.868 0.119 0.000 1.840 84 T HN -0.094 nan 8.240 nan 0.000 0.375 85 Q N 1.440 121.359 119.800 0.198 0.000 2.421 85 Q HA -0.358 3.982 4.340 -0.000 0.000 0.218 85 Q C 1.351 177.540 176.000 0.316 0.000 1.011 85 Q CA 2.442 58.394 55.803 0.248 0.000 0.975 85 Q CB -0.970 27.812 28.738 0.073 0.000 0.955 85 Q HN 0.589 nan 8.270 nan 0.000 0.428 86 D N -0.866 119.694 120.400 0.267 0.000 2.178 86 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 86 D C 0.809 177.313 176.300 0.340 0.000 0.974 86 D CA 0.554 54.695 54.000 0.234 0.000 0.841 86 D CB -0.287 40.621 40.800 0.181 0.000 0.953 86 D HN 0.253 nan 8.370 nan 0.000 0.478 87 F N -1.175 118.928 119.950 0.255 0.000 2.693 87 F HA 0.086 4.613 4.527 -0.000 0.000 0.303 87 F C 0.200 176.137 175.800 0.229 0.000 1.143 87 F CA -0.051 58.085 58.000 0.226 0.000 1.389 87 F CB -0.128 39.033 39.000 0.268 0.000 1.060 87 F HN -0.053 nan 8.300 nan 0.000 0.535 88 W N -1.048 120.288 121.300 0.060 0.000 1.479 88 W HA 0.223 4.883 4.660 -0.000 0.000 0.224 88 W C 1.570 178.052 176.519 -0.062 0.000 0.799 88 W CA -0.557 56.768 57.345 -0.034 0.000 1.149 88 W CB -0.624 28.809 29.460 -0.045 0.000 0.935 88 W HN 0.026 nan 8.180 nan 0.000 0.454 89 E N 0.724 121.002 120.200 0.131 0.000 2.415 89 E HA -0.017 4.333 4.350 -0.000 0.000 0.197 89 E C 1.365 177.972 176.600 0.011 0.000 1.007 89 E CA 1.113 57.553 56.400 0.068 0.000 0.890 89 E CB 0.561 30.308 29.700 0.077 0.000 0.891 89 E HN 0.087 nan 8.360 nan 0.000 0.496 90 V N -2.104 117.784 119.914 -0.043 0.000 3.608 90 V HA 0.189 4.309 4.120 -0.000 0.000 0.203 90 V C 2.458 178.430 176.094 -0.204 0.000 1.154 90 V CA 0.956 63.185 62.300 -0.119 0.000 1.386 90 V CB -1.310 30.414 31.823 -0.165 0.000 1.486 90 V HN 0.247 nan 8.190 nan 0.000 0.491 91 Q N 0.921 120.511 119.800 -0.351 0.000 2.001 91 Q HA -0.279 4.061 4.340 -0.000 0.000 0.222 91 Q C 1.873 177.671 176.000 -0.337 0.000 1.063 91 Q CA 3.347 58.889 55.803 -0.436 0.000 0.911 91 Q CB -1.704 26.594 28.738 -0.733 0.000 1.041 91 Q HN 0.802 nan 8.270 nan 0.000 0.433 92 L N 0.733 121.735 121.223 -0.369 0.000 2.912 92 L HA 0.460 4.800 4.340 -0.000 0.000 0.240 92 L C 1.282 178.104 176.870 -0.080 0.000 1.262 92 L CA -0.370 54.343 54.840 -0.211 0.000 1.058 92 L CB -0.189 41.733 42.059 -0.229 0.000 1.383 92 L HN 0.594 nan 8.230 nan 0.000 0.512 93 G N 0.514 109.276 108.800 -0.064 0.000 2.699 93 G HA2 0.398 4.358 3.960 -0.000 0.000 0.246 93 G HA3 0.398 4.358 3.960 -0.000 0.000 0.246 93 G C -0.338 174.576 174.900 0.024 0.000 1.219 93 G CA 0.241 45.337 45.100 -0.005 0.000 0.866 93 G HN 0.082 nan 8.290 nan 0.000 0.572 94 I N 0.497 121.109 120.570 0.070 0.000 2.476 94 I HA 0.615 4.785 4.170 -0.000 0.000 0.281 94 I C -1.704 174.538 176.117 0.209 0.000 1.040 94 I CA -2.022 59.353 61.300 0.127 0.000 1.094 94 I CB 0.681 38.762 38.000 0.136 0.000 1.219 94 I HN 0.589 nan 8.210 nan 0.000 0.450 95 P HA 0.270 nan 4.420 nan 0.000 0.272 95 P C -0.801 176.621 177.300 0.204 0.000 1.239 95 P CA 0.416 63.614 63.100 0.164 0.000 0.807 95 P CB 0.160 31.917 31.700 0.096 0.000 0.951 96 H N 0.365 119.404 119.070 -0.051 0.000 2.906 96 H HA 0.310 4.866 4.556 -0.000 0.000 0.324 96 H C -2.282 172.879 175.328 -0.279 0.000 0.973 96 H CA -2.043 53.810 56.048 -0.323 0.000 1.321 96 H CB 0.586 30.169 29.762 -0.297 0.000 1.535 96 H HN 0.203 nan 8.280 nan 0.000 0.518 97 P HA 0.058 nan 4.420 nan 0.000 0.257 97 P C 0.600 177.505 177.300 -0.658 0.000 1.359 97 P CA 0.186 62.955 63.100 -0.552 0.000 1.239 97 P CB 0.239 31.732 31.700 -0.344 0.000 1.549 98 A N 3.543 126.094 122.820 -0.448 0.000 2.084 98 A HA -0.109 4.211 4.320 -0.000 0.000 0.221 98 A C 2.201 179.664 177.584 -0.202 0.000 1.161 98 A CA 1.807 53.667 52.037 -0.296 0.000 0.653 98 A CB -0.980 17.938 19.000 -0.137 0.000 0.802 98 A HN 0.524 nan 8.150 nan 0.000 0.457 99 G N -0.919 107.777 108.800 -0.173 0.000 2.623 99 G HA2 0.095 4.054 3.960 -0.000 0.000 0.214 99 G HA3 0.095 4.054 3.960 -0.000 0.000 0.214 99 G C 1.295 176.137 174.900 -0.097 0.000 1.138 99 G CA 0.716 45.752 45.100 -0.106 0.000 0.794 99 G HN 0.419 nan 8.290 nan 0.000 0.535 100 L N 2.236 123.382 121.223 -0.128 0.000 2.012 100 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 100 L C 2.786 179.627 176.870 -0.048 0.000 1.073 100 L CA 2.575 57.380 54.840 -0.060 0.000 0.748 100 L CB -0.861 41.168 42.059 -0.049 0.000 0.891 100 L HN 0.475 nan 8.230 nan 0.000 0.431 101 K N -1.134 119.225 120.400 -0.069 0.000 2.360 101 K HA -0.226 4.094 4.320 -0.000 0.000 0.201 101 K C 2.002 178.551 176.600 -0.086 0.000 1.046 101 K CA 1.588 57.854 56.287 -0.035 0.000 0.940 101 K CB -0.192 32.276 32.500 -0.053 0.000 0.748 101 K HN 0.186 nan 8.250 nan 0.000 0.465 102 K N 1.317 121.665 120.400 -0.087 0.000 2.099 102 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 102 K C 0.085 176.628 176.600 -0.096 0.000 1.047 102 K CA 0.378 56.613 56.287 -0.087 0.000 0.963 102 K CB -0.129 32.333 32.500 -0.063 0.000 0.759 102 K HN 0.229 nan 8.250 nan 0.000 0.451 103 N N 0.683 119.341 118.700 -0.071 0.000 2.187 103 N HA -0.141 4.599 4.740 -0.000 0.000 0.236 103 N C 0.559 176.012 175.510 -0.095 0.000 1.244 103 N CA 0.326 53.343 53.050 -0.056 0.000 0.850 103 N CB 0.410 38.890 38.487 -0.013 0.000 1.090 103 N HN 0.147 nan 8.380 nan 0.000 0.450 104 K N 0.518 120.875 120.400 -0.072 0.000 1.984 104 K HA -0.024 4.296 4.320 -0.000 0.000 0.209 104 K C 0.263 176.824 176.600 -0.065 0.000 1.046 104 K CA 0.951 57.187 56.287 -0.084 0.000 0.934 104 K CB -0.009 32.450 32.500 -0.068 0.000 0.717 104 K HN 0.363 nan 8.250 nan 0.000 0.438 105 S N 0.059 115.701 115.700 -0.096 0.000 2.568 105 S HA 0.483 4.953 4.470 -0.000 0.000 0.302 105 S C -0.960 173.520 174.600 -0.200 0.000 1.082 105 S CA -0.860 57.219 58.200 -0.200 0.000 1.009 105 S CB 2.492 65.377 63.200 -0.525 0.000 1.069 105 S HN -0.069 nan 8.310 nan 0.000 0.500 106 V N 2.023 121.814 119.914 -0.204 0.000 2.733 106 V HA 0.552 4.672 4.120 -0.000 0.000 0.306 106 V C -0.491 175.608 176.094 0.008 0.000 1.084 106 V CA -0.587 61.718 62.300 0.009 0.000 0.905 106 V CB 2.192 34.050 31.823 0.058 0.000 1.010 106 V HN 0.877 nan 8.190 nan 0.000 0.424 107 T N 3.572 118.215 114.554 0.148 0.000 2.841 107 T HA 0.621 4.971 4.350 -0.000 0.000 0.283 107 T C -0.569 174.153 174.700 0.037 0.000 1.000 107 T CA -0.403 61.752 62.100 0.093 0.000 0.977 107 T CB 1.893 70.873 68.868 0.187 0.000 0.979 107 T HN 0.370 nan 8.240 nan 0.000 0.446 108 V N 5.045 124.957 119.914 -0.003 0.000 2.394 108 V HA 0.536 4.656 4.120 -0.000 0.000 0.282 108 V C -0.317 175.730 176.094 -0.078 0.000 1.031 108 V CA -0.696 61.516 62.300 -0.145 0.000 0.881 108 V CB 1.064 32.804 31.823 -0.138 0.000 0.982 108 V HN 0.657 nan 8.190 nan 0.000 0.451 109 L N 3.251 124.397 121.223 -0.127 0.000 2.362 109 L HA 0.596 4.936 4.340 -0.000 0.000 0.271 109 L C -0.731 176.071 176.870 -0.113 0.000 1.002 109 L CA -0.709 54.074 54.840 -0.096 0.000 0.818 109 L CB 2.167 44.171 42.059 -0.090 0.000 1.298 109 L HN 0.509 nan 8.230 nan 0.000 0.420 110 D N 1.389 121.722 120.400 -0.112 0.000 2.428 110 D HA 0.271 4.911 4.640 -0.000 0.000 0.221 110 D C 0.539 176.739 176.300 -0.167 0.000 1.123 110 D CA -0.382 53.542 54.000 -0.127 0.000 0.869 110 D CB 1.363 42.086 40.800 -0.129 0.000 1.032 110 D HN 0.330 nan 8.370 nan 0.000 0.506 111 V N 1.815 121.613 119.914 -0.193 0.000 3.444 111 V HA 0.384 4.504 4.120 -0.000 0.000 0.308 111 V C 1.814 177.589 176.094 -0.532 0.000 1.371 111 V CA 0.212 62.341 62.300 -0.285 0.000 1.141 111 V CB 0.184 31.877 31.823 -0.216 0.000 1.037 111 V HN 0.472 nan 8.190 nan 0.000 0.433 112 G N 0.152 108.663 108.800 -0.481 0.000 2.615 112 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.213 112 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.213 112 G C 1.104 175.497 174.900 -0.845 0.000 1.135 112 G CA 0.919 45.614 45.100 -0.674 0.000 0.772 112 G HN 0.572 nan 8.290 nan 0.000 0.542 113 D N 0.586 120.575 120.400 -0.686 0.000 2.149 113 D HA -0.011 4.629 4.640 -0.000 0.000 0.206 113 D C 2.816 178.758 176.300 -0.595 0.000 0.967 113 D CA 0.836 54.461 54.000 -0.625 0.000 0.848 113 D CB 0.013 40.589 40.800 -0.374 0.000 0.998 113 D HN 0.204 nan 8.370 nan 0.000 0.474 114 A N 0.998 123.464 122.820 -0.589 0.000 1.909 114 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 114 A C 2.066 179.427 177.584 -0.372 0.000 1.223 114 A CA 2.028 53.773 52.037 -0.487 0.000 0.658 114 A CB -1.709 16.869 19.000 -0.702 0.000 0.831 114 A HN 0.526 nan 8.150 nan 0.000 0.462 115 Y N -1.557 118.412 120.300 -0.552 0.000 2.024 115 Y HA -0.382 4.168 4.550 -0.000 0.000 0.257 115 Y C 2.284 178.250 175.900 0.111 0.000 1.233 115 Y CA 1.127 59.069 58.100 -0.263 0.000 1.087 115 Y CB -0.910 37.466 38.460 -0.139 0.000 0.905 115 Y HN 0.363 nan 8.280 nan 0.000 0.503 116 F N 0.726 120.741 119.950 0.108 0.000 2.354 116 F HA -0.299 4.227 4.527 -0.000 0.000 0.300 116 F C 2.547 178.404 175.800 0.094 0.000 1.052 116 F CA 1.087 59.154 58.000 0.111 0.000 1.425 116 F CB -1.685 37.371 39.000 0.094 0.000 1.095 116 F HN 0.181 nan 8.300 nan 0.000 0.560 117 S N -0.478 115.363 115.700 0.236 0.000 2.336 117 S HA -0.021 4.449 4.470 -0.000 0.000 0.216 117 S C 0.914 175.622 174.600 0.181 0.000 1.032 117 S CA 0.278 58.584 58.200 0.177 0.000 0.973 117 S CB -0.911 62.378 63.200 0.149 0.000 0.888 117 S HN -0.058 nan 8.310 nan 0.000 0.455 118 V N 5.744 125.785 119.914 0.211 0.000 2.540 118 V HA 0.258 4.378 4.120 -0.000 0.000 0.297 118 V C -1.936 174.264 176.094 0.175 0.000 1.024 118 V CA -1.441 60.981 62.300 0.204 0.000 1.105 118 V CB 0.042 32.020 31.823 0.259 0.000 0.938 118 V HN 0.477 nan 8.190 nan 0.000 0.482 119 P HA 0.238 nan 4.420 nan 0.000 0.278 119 P C -0.649 176.736 177.300 0.141 0.000 1.238 119 P CA -0.571 62.609 63.100 0.133 0.000 0.794 119 P CB 1.520 33.284 31.700 0.107 0.000 0.955 120 L N 2.588 123.900 121.223 0.149 0.000 2.375 120 L HA 0.302 4.642 4.340 -0.000 0.000 0.271 120 L C 0.413 177.368 176.870 0.141 0.000 1.107 120 L CA -0.202 54.735 54.840 0.161 0.000 0.806 120 L CB -0.089 42.083 42.059 0.189 0.000 1.146 120 L HN 0.312 nan 8.230 nan 0.000 0.447 121 D N 2.257 122.740 120.400 0.139 0.000 2.520 121 D HA -0.131 4.509 4.640 -0.000 0.000 0.243 121 D C 0.931 177.317 176.300 0.143 0.000 1.160 121 D CA 0.459 54.541 54.000 0.136 0.000 0.877 121 D CB 0.893 41.775 40.800 0.137 0.000 1.150 121 D HN 0.696 nan 8.370 nan 0.000 0.494 122 E N 2.726 122.989 120.200 0.105 0.000 2.331 122 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 122 E C 0.818 177.458 176.600 0.067 0.000 1.008 122 E CA 1.258 57.704 56.400 0.077 0.000 0.843 122 E CB 0.184 29.918 29.700 0.057 0.000 0.761 122 E HN 0.430 nan 8.360 nan 0.000 0.507 123 D N -1.257 119.205 120.400 0.104 0.000 2.305 123 D HA -0.044 4.596 4.640 -0.000 0.000 0.206 123 D C 0.940 177.312 176.300 0.120 0.000 0.974 123 D CA 0.394 54.452 54.000 0.096 0.000 0.871 123 D CB 0.011 40.888 40.800 0.128 0.000 0.947 123 D HN 0.267 nan 8.370 nan 0.000 0.516 124 F N 1.375 121.327 119.950 0.002 0.000 2.619 124 F HA 0.155 4.681 4.527 -0.000 0.000 0.293 124 F C 2.092 177.832 175.800 -0.100 0.000 1.119 124 F CA 0.151 58.170 58.000 0.031 0.000 1.445 124 F CB 0.219 39.208 39.000 -0.017 0.000 1.119 124 F HN -0.276 nan 8.300 nan 0.000 0.573 125 R N 1.288 121.819 120.500 0.050 0.000 2.162 125 R HA -0.311 4.029 4.340 -0.000 0.000 0.245 125 R C 2.240 178.412 176.300 -0.212 0.000 1.129 125 R CA 2.596 58.683 56.100 -0.022 0.000 0.940 125 R CB -0.941 29.367 30.300 0.013 0.000 0.875 125 R HN 0.376 nan 8.270 nan 0.000 0.437 126 K N -0.143 120.056 120.400 -0.335 0.000 2.318 126 K HA -0.236 4.084 4.320 -0.000 0.000 0.204 126 K C 1.274 177.504 176.600 -0.617 0.000 1.044 126 K CA 2.075 58.092 56.287 -0.451 0.000 0.932 126 K CB -0.406 31.782 32.500 -0.520 0.000 0.734 126 K HN 0.325 nan 8.250 nan 0.000 0.473 127 Y N 1.861 121.817 120.300 -0.572 0.000 2.523 127 Y HA 0.008 4.558 4.550 -0.000 0.000 0.279 127 Y C 2.210 177.886 175.900 -0.373 0.000 1.139 127 Y CA 1.046 58.717 58.100 -0.716 0.000 1.296 127 Y CB 0.016 37.744 38.460 -1.219 0.000 1.045 127 Y HN 0.313 nan 8.280 nan 0.000 0.538 128 T N -2.224 112.277 114.554 -0.088 0.000 3.169 128 T HA 0.364 4.714 4.350 -0.000 0.000 0.250 128 T C 0.947 175.887 174.700 0.400 0.000 1.111 128 T CA 0.063 62.336 62.100 0.289 0.000 1.010 128 T CB -0.608 68.508 68.868 0.412 0.000 0.984 128 T HN 0.204 nan 8.240 nan 0.000 0.537 129 A N 2.038 124.947 122.820 0.149 0.000 2.561 129 A HA 0.479 4.799 4.320 -0.000 0.000 0.251 129 A C 0.021 177.652 177.584 0.080 0.000 1.062 129 A CA -0.366 51.690 52.037 0.032 0.000 0.761 129 A CB -0.897 18.097 19.000 -0.010 0.000 0.986 129 A HN 0.731 nan 8.150 nan 0.000 0.510 130 F N 0.170 120.149 119.950 0.049 0.000 2.603 130 F HA 0.828 5.355 4.527 -0.000 0.000 0.317 130 F C -0.215 175.588 175.800 0.004 0.000 1.066 130 F CA -0.949 57.057 58.000 0.009 0.000 0.941 130 F CB 1.411 40.407 39.000 -0.006 0.000 1.291 130 F HN 0.243 nan 8.300 nan 0.000 0.472 131 T N 3.083 117.617 114.554 -0.032 0.000 2.824 131 T HA 0.582 4.932 4.350 -0.000 0.000 0.282 131 T C -0.462 174.274 174.700 0.060 0.000 0.993 131 T CA -0.448 61.608 62.100 -0.074 0.000 0.967 131 T CB 1.116 69.934 68.868 -0.083 0.000 0.960 131 T HN 0.534 nan 8.240 nan 0.000 0.441 132 I N 6.686 127.291 120.570 0.058 0.000 2.315 132 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 132 I C -1.782 174.340 176.117 0.009 0.000 1.006 132 I CA -2.327 59.024 61.300 0.084 0.000 1.265 132 I CB 1.513 39.593 38.000 0.133 0.000 1.387 132 I HN 0.355 nan 8.210 nan 0.000 0.475 133 P HA 0.190 nan 4.420 nan 0.000 0.277 133 P C -0.563 176.723 177.300 -0.023 0.000 1.276 133 P CA -0.333 62.755 63.100 -0.020 0.000 0.788 133 P CB 1.081 32.773 31.700 -0.013 0.000 1.114 134 S N -0.768 114.915 115.700 -0.028 0.000 2.607 134 S HA 0.518 4.988 4.470 -0.000 0.000 0.303 134 S C 0.147 174.734 174.600 -0.022 0.000 1.086 134 S CA -0.690 57.493 58.200 -0.027 0.000 0.995 134 S CB 0.540 63.720 63.200 -0.032 0.000 1.084 134 S HN 0.260 nan 8.310 nan 0.000 0.507 135 I N 2.803 123.360 120.570 -0.021 0.000 2.441 135 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 135 I C 0.802 176.909 176.117 -0.017 0.000 1.049 135 I CA 0.103 61.392 61.300 -0.017 0.000 1.381 135 I CB 0.067 38.058 38.000 -0.016 0.000 1.409 135 I HN 0.727 nan 8.210 nan 0.000 0.523 136 N N 4.550 123.242 118.700 -0.014 0.000 2.693 136 N HA -0.290 4.450 4.740 -0.000 0.000 0.249 136 N C 0.106 175.604 175.510 -0.020 0.000 1.119 136 N CA 1.119 54.160 53.050 -0.015 0.000 0.717 136 N CB -1.117 37.362 38.487 -0.012 0.000 1.071 136 N HN 0.848 nan 8.380 nan 0.000 0.555 137 N N -1.352 117.334 118.700 -0.024 0.000 2.681 137 N HA -0.253 4.487 4.740 -0.000 0.000 0.250 137 N C -0.324 175.168 175.510 -0.030 0.000 1.133 137 N CA 1.337 54.369 53.050 -0.030 0.000 0.732 137 N CB -1.223 37.245 38.487 -0.032 0.000 1.107 137 N HN 0.713 nan 8.380 nan 0.000 0.559 138 E N -0.137 120.047 120.200 -0.026 0.000 2.482 138 E HA -0.022 4.327 4.350 -0.000 0.000 0.200 138 E C 0.819 177.401 176.600 -0.030 0.000 1.147 138 E CA 0.931 57.315 56.400 -0.025 0.000 0.912 138 E CB -0.087 29.601 29.700 -0.021 0.000 0.938 138 E HN 0.570 nan 8.360 nan 0.000 0.519 139 T N -1.341 113.192 114.554 -0.035 0.000 2.717 139 T HA 0.234 4.584 4.350 -0.000 0.000 0.315 139 T C -3.087 171.583 174.700 -0.050 0.000 1.746 139 T CA -1.496 60.578 62.100 -0.042 0.000 1.001 139 T CB 1.693 70.535 68.868 -0.042 0.000 1.673 139 T HN -0.209 nan 8.240 nan 0.000 0.498 140 P HA 0.501 nan 4.420 nan 0.000 0.290 140 P C 0.589 177.840 177.300 -0.082 0.000 1.275 140 P CA -0.168 62.889 63.100 -0.072 0.000 0.841 140 P CB 0.980 32.632 31.700 -0.079 0.000 1.042 141 G N 2.769 111.517 108.800 -0.086 0.000 2.568 141 G HA2 0.132 4.092 3.960 -0.000 0.000 0.231 141 G HA3 0.132 4.092 3.960 -0.000 0.000 0.231 141 G C 0.345 175.167 174.900 -0.131 0.000 1.261 141 G CA -0.456 44.589 45.100 -0.092 0.000 0.855 141 G HN 0.439 nan 8.290 nan 0.000 0.576 142 I N 1.677 122.171 120.570 -0.127 0.000 2.371 142 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 142 I C 0.291 176.211 176.117 -0.328 0.000 1.028 142 I CA -0.237 60.929 61.300 -0.223 0.000 1.345 142 I CB 0.958 38.880 38.000 -0.131 0.000 1.407 142 I HN 0.291 nan 8.210 nan 0.000 0.501 143 R N 6.440 126.648 120.500 -0.487 0.000 2.343 143 R HA 0.551 4.891 4.340 -0.000 0.000 0.320 143 R C -1.397 174.478 176.300 -0.708 0.000 0.956 143 R CA -0.704 55.097 56.100 -0.499 0.000 0.836 143 R CB 1.720 31.820 30.300 -0.335 0.000 1.151 143 R HN 0.452 nan 8.270 nan 0.000 0.450 144 Y N 0.507 120.438 120.300 -0.613 0.000 2.576 144 Y HA 0.333 4.883 4.550 -0.000 0.000 0.346 144 Y C 0.172 175.674 175.900 -0.664 0.000 1.018 144 Y CA -0.806 56.918 58.100 -0.627 0.000 1.050 144 Y CB 2.344 40.353 38.460 -0.752 0.000 1.280 144 Y HN 0.403 nan 8.280 nan 0.000 0.474 145 Q N 1.606 121.302 119.800 -0.174 0.000 2.289 145 Q HA 0.409 4.749 4.340 -0.000 0.000 0.270 145 Q C -1.893 174.095 176.000 -0.020 0.000 1.038 145 Q CA -0.799 54.957 55.803 -0.079 0.000 0.812 145 Q CB 1.615 30.306 28.738 -0.078 0.000 1.300 145 Q HN 0.725 nan 8.270 nan 0.000 0.427 146 Y N 2.142 122.532 120.300 0.149 0.000 2.511 146 Y HA 0.057 4.607 4.550 -0.000 0.000 0.347 146 Y C 0.919 176.854 175.900 0.059 0.000 1.257 146 Y CA 0.810 58.981 58.100 0.118 0.000 1.469 146 Y CB 0.649 39.207 38.460 0.163 0.000 1.353 146 Y HN 0.730 nan 8.280 nan 0.000 0.617 147 N N -0.187 118.635 118.700 0.204 0.000 2.118 147 N HA 0.146 4.886 4.740 -0.000 0.000 0.226 147 N C -1.097 174.508 175.510 0.158 0.000 1.305 147 N CA 0.301 53.434 53.050 0.137 0.000 0.890 147 N CB 0.844 39.375 38.487 0.075 0.000 1.118 147 N HN 0.330 nan 8.380 nan 0.000 0.511 148 V N -2.568 117.474 119.914 0.213 0.000 3.156 148 V HA 0.571 4.691 4.120 -0.000 0.000 0.310 148 V C -0.045 176.181 176.094 0.219 0.000 1.234 148 V CA -1.202 61.218 62.300 0.201 0.000 1.065 148 V CB 1.611 33.544 31.823 0.184 0.000 1.088 148 V HN -0.146 nan 8.190 nan 0.000 0.451 149 L N 3.670 125.017 121.223 0.207 0.000 2.562 149 L HA 0.309 4.649 4.340 -0.000 0.000 0.271 149 L C -2.012 174.947 176.870 0.149 0.000 1.167 149 L CA -1.012 53.909 54.840 0.136 0.000 0.917 149 L CB 0.509 42.533 42.059 -0.058 0.000 1.187 149 L HN 0.549 nan 8.230 nan 0.000 0.482 150 P HA 0.093 nan 4.420 nan 0.000 0.278 150 P C -1.459 175.923 177.300 0.137 0.000 1.238 150 P CA -0.695 62.274 63.100 -0.218 0.000 0.794 150 P CB 0.873 32.141 31.700 -0.721 0.000 0.955 151 Q N 1.125 121.158 119.800 0.389 0.000 2.288 151 Q HA 0.502 4.842 4.340 -0.000 0.000 0.258 151 Q C 0.683 176.911 176.000 0.380 0.000 0.957 151 Q CA -0.408 55.630 55.803 0.390 0.000 0.919 151 Q CB 0.599 29.531 28.738 0.323 0.000 1.185 151 Q HN 0.813 nan 8.270 nan 0.000 0.408 152 G N 2.359 111.357 108.800 0.330 0.000 2.796 152 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.198 152 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.198 152 G C -0.869 174.259 174.900 0.380 0.000 1.062 152 G CA -0.408 44.954 45.100 0.436 0.000 0.752 152 G HN 0.705 nan 8.290 nan 0.000 0.487 153 W N 4.085 125.362 121.300 -0.038 0.000 2.419 153 W HA 0.702 5.362 4.660 -0.000 0.000 0.312 153 W C 0.988 177.340 176.519 -0.278 0.000 1.323 153 W CA -0.958 56.125 57.345 -0.436 0.000 1.293 153 W CB 1.164 29.957 29.460 -1.111 0.000 1.324 153 W HN 0.151 nan 8.180 nan 0.000 0.512 154 K N 4.209 124.268 120.400 -0.568 0.000 2.699 154 K HA -0.026 4.294 4.320 -0.000 0.000 0.197 154 K C 1.643 177.592 176.600 -1.085 0.000 1.017 154 K CA 1.400 57.315 56.287 -0.620 0.000 1.006 154 K CB -0.412 31.916 32.500 -0.286 0.000 0.819 154 K HN 0.692 nan 8.250 nan 0.000 0.493 155 G N -1.234 106.169 108.800 -2.329 0.000 2.447 155 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.211 155 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.211 155 G C 1.340 175.434 174.900 -1.344 0.000 1.184 155 G CA 0.345 43.895 45.100 -2.584 0.000 0.813 155 G HN 0.351 nan 8.290 nan 0.000 0.540 156 S N 2.144 117.098 115.700 -1.242 0.000 2.414 156 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 156 S C 0.332 174.555 174.600 -0.628 0.000 1.055 156 S CA 2.019 59.642 58.200 -0.963 0.000 1.174 156 S CB -1.292 60.975 63.200 -1.555 0.000 1.087 156 S HN 0.392 nan 8.310 nan 0.000 0.428 157 P HA -0.260 nan 4.420 nan 0.000 0.212 157 P C 1.495 178.789 177.300 -0.010 0.000 1.174 157 P CA 2.112 65.184 63.100 -0.047 0.000 0.934 157 P CB -0.439 31.227 31.700 -0.058 0.000 0.791 158 A N 0.368 123.135 122.820 -0.088 0.000 1.883 158 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 158 A C 2.515 180.131 177.584 0.052 0.000 1.339 158 A CA 2.922 54.961 52.037 0.002 0.000 0.692 158 A CB -1.846 17.203 19.000 0.083 0.000 0.845 158 A HN 0.195 nan 8.150 nan 0.000 0.467 159 I N -2.347 118.271 120.570 0.080 0.000 2.091 159 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 159 I C 2.378 178.562 176.117 0.112 0.000 1.061 159 I CA 2.205 63.584 61.300 0.131 0.000 1.317 159 I CB -0.472 37.600 38.000 0.121 0.000 1.031 159 I HN 0.454 nan 8.210 nan 0.000 0.401 160 F N 1.473 121.399 119.950 -0.040 0.000 2.408 160 F HA -0.241 4.286 4.527 -0.000 0.000 0.300 160 F C 2.512 178.334 175.800 0.036 0.000 1.090 160 F CA 1.396 59.410 58.000 0.023 0.000 1.427 160 F CB -0.451 38.606 39.000 0.095 0.000 1.070 160 F HN 0.115 nan 8.300 nan 0.000 0.549 161 Q N -0.153 119.671 119.800 0.041 0.000 2.142 161 Q HA -0.300 4.040 4.340 -0.000 0.000 0.213 161 Q C 2.371 178.284 176.000 -0.145 0.000 1.004 161 Q CA 2.599 58.389 55.803 -0.021 0.000 0.883 161 Q CB -0.375 28.368 28.738 0.009 0.000 0.939 161 Q HN 0.443 nan 8.270 nan 0.000 0.413 162 S N -0.127 115.476 115.700 -0.160 0.000 2.414 162 S HA -0.234 4.236 4.470 -0.000 0.000 0.225 162 S C 1.949 176.386 174.600 -0.271 0.000 1.041 162 S CA 1.530 59.629 58.200 -0.169 0.000 1.114 162 S CB -0.603 62.514 63.200 -0.139 0.000 1.064 162 S HN 0.486 nan 8.310 nan 0.000 0.420 163 S N 0.983 116.413 115.700 -0.450 0.000 2.421 163 S HA -0.256 4.214 4.470 -0.000 0.000 0.239 163 S C 1.761 176.031 174.600 -0.550 0.000 1.054 163 S CA 1.916 59.762 58.200 -0.590 0.000 1.035 163 S CB -0.442 62.184 63.200 -0.956 0.000 0.840 163 S HN 0.392 nan 8.310 nan 0.000 0.475 164 M N 1.361 120.622 119.600 -0.565 0.000 2.101 164 M HA -0.079 4.401 4.480 -0.000 0.000 0.259 164 M C 2.222 178.475 176.300 -0.078 0.000 1.083 164 M CA 1.940 57.123 55.300 -0.195 0.000 1.114 164 M CB -1.430 31.166 32.600 -0.006 0.000 1.281 164 M HN 0.157 nan 8.290 nan 0.000 0.422 165 T N 0.857 115.383 114.554 -0.047 0.000 2.656 165 T HA -0.352 3.998 4.350 -0.000 0.000 0.262 165 T C 1.776 176.492 174.700 0.028 0.000 1.070 165 T CA 2.558 64.663 62.100 0.009 0.000 1.160 165 T CB -0.489 68.379 68.868 -0.001 0.000 0.855 165 T HN 0.463 nan 8.240 nan 0.000 0.456 166 K N 0.195 120.583 120.400 -0.019 0.000 2.001 166 K HA -0.151 4.169 4.320 -0.000 0.000 0.214 166 K C 2.235 178.899 176.600 0.108 0.000 1.050 166 K CA 2.018 58.315 56.287 0.016 0.000 0.934 166 K CB -0.312 32.144 32.500 -0.073 0.000 0.718 166 K HN 0.304 nan 8.250 nan 0.000 0.443 167 I N 1.681 122.271 120.570 0.032 0.000 2.118 167 I HA -0.300 3.869 4.170 -0.000 0.000 0.241 167 I C 2.422 178.677 176.117 0.230 0.000 1.070 167 I CA 1.504 62.888 61.300 0.140 0.000 1.327 167 I CB -1.421 36.576 38.000 -0.006 0.000 1.034 167 I HN 0.285 nan 8.210 nan 0.000 0.405 168 L N 0.335 121.633 121.223 0.126 0.000 2.456 168 L HA -0.165 4.175 4.340 -0.000 0.000 0.224 168 L C 2.454 179.501 176.870 0.294 0.000 1.148 168 L CA 0.517 55.459 54.840 0.170 0.000 0.825 168 L CB -0.513 41.611 42.059 0.108 0.000 0.937 168 L HN 0.242 nan 8.230 nan 0.000 0.450 169 E N 1.039 121.402 120.200 0.271 0.000 2.048 169 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 169 E C -0.439 176.303 176.600 0.238 0.000 1.021 169 E CA 2.010 58.550 56.400 0.233 0.000 0.825 169 E CB -1.144 28.678 29.700 0.203 0.000 0.756 169 E HN 0.252 nan 8.360 nan 0.000 0.454 170 P HA -0.144 nan 4.420 nan 0.000 0.214 170 P C 1.327 178.693 177.300 0.111 0.000 1.163 170 P CA 1.351 64.522 63.100 0.119 0.000 0.889 170 P CB -0.263 31.429 31.700 -0.013 0.000 0.790 171 F N 0.945 120.965 119.950 0.117 0.000 2.126 171 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 171 F C 1.876 177.721 175.800 0.075 0.000 1.096 171 F CA 1.698 59.757 58.000 0.098 0.000 1.255 171 F CB -0.445 38.726 39.000 0.284 0.000 0.997 171 F HN -0.218 nan 8.300 nan 0.000 0.479 172 K N 0.258 120.861 120.400 0.337 0.000 2.362 172 K HA -0.147 4.173 4.320 -0.000 0.000 0.200 172 K C 2.186 178.831 176.600 0.075 0.000 1.046 172 K CA 1.062 57.476 56.287 0.212 0.000 0.952 172 K CB -0.292 32.322 32.500 0.189 0.000 0.753 172 K HN 0.370 nan 8.250 nan 0.000 0.466 173 K N 1.383 121.806 120.400 0.037 0.000 1.986 173 K HA -0.120 4.200 4.320 -0.000 0.000 0.215 173 K C 1.912 178.468 176.600 -0.074 0.000 1.033 173 K CA 0.972 57.252 56.287 -0.012 0.000 0.962 173 K CB -0.961 31.529 32.500 -0.017 0.000 0.755 173 K HN -0.042 nan 8.250 nan 0.000 0.444 174 Q N 1.386 121.104 119.800 -0.137 0.000 1.968 174 Q HA -0.155 4.185 4.340 -0.000 0.000 0.216 174 Q C 0.276 176.155 176.000 -0.200 0.000 1.037 174 Q CA 1.569 57.255 55.803 -0.194 0.000 0.889 174 Q CB -0.917 27.645 28.738 -0.293 0.000 0.998 174 Q HN 0.711 nan 8.270 nan 0.000 0.417 175 N N 2.162 120.675 118.700 -0.312 0.000 2.415 175 N HA 0.101 4.841 4.740 -0.000 0.000 0.246 175 N C -1.918 173.557 175.510 -0.057 0.000 1.078 175 N CA -0.765 52.159 53.050 -0.211 0.000 0.942 175 N CB 1.382 39.659 38.487 -0.351 0.000 1.140 175 N HN 0.235 nan 8.380 nan 0.000 0.501 176 P HA 0.185 nan 4.420 nan 0.000 0.281 176 P C 0.097 177.416 177.300 0.032 0.000 1.291 176 P CA 0.224 63.335 63.100 0.018 0.000 0.906 176 P CB 0.902 32.603 31.700 0.002 0.000 1.388 177 D N 0.003 120.420 120.400 0.028 0.000 2.333 177 D HA 0.135 4.775 4.640 -0.000 0.000 0.208 177 D C 0.849 177.187 176.300 0.063 0.000 0.984 177 D CA 0.452 54.473 54.000 0.035 0.000 0.873 177 D CB -0.077 40.737 40.800 0.024 0.000 0.935 177 D HN 0.193 nan 8.370 nan 0.000 0.521 178 I N 1.479 122.106 120.570 0.094 0.000 2.395 178 I HA 0.110 4.279 4.170 -0.000 0.000 0.289 178 I C 0.135 176.337 176.117 0.142 0.000 1.023 178 I CA -0.881 60.502 61.300 0.140 0.000 1.350 178 I CB 1.417 39.545 38.000 0.213 0.000 1.409 178 I HN -0.240 nan 8.210 nan 0.000 0.507 179 V N 5.501 125.493 119.914 0.129 0.000 2.567 179 V HA 0.557 4.677 4.120 -0.000 0.000 0.289 179 V C -0.191 176.000 176.094 0.162 0.000 1.049 179 V CA -0.522 61.852 62.300 0.122 0.000 0.969 179 V CB 1.446 33.321 31.823 0.087 0.000 0.995 179 V HN 0.511 nan 8.190 nan 0.000 0.471 180 I N 4.741 125.417 120.570 0.175 0.000 2.503 180 I HA 0.337 4.507 4.170 -0.000 0.000 0.282 180 I C -1.428 174.863 176.117 0.290 0.000 1.059 180 I CA -0.443 60.982 61.300 0.207 0.000 1.081 180 I CB 1.545 39.636 38.000 0.151 0.000 1.210 180 I HN 0.745 nan 8.210 nan 0.000 0.450 181 Y N 6.768 127.186 120.300 0.197 0.000 2.331 181 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 181 Y C -0.153 175.945 175.900 0.331 0.000 0.992 181 Y CA -0.693 57.545 58.100 0.230 0.000 1.121 181 Y CB 1.305 39.891 38.460 0.210 0.000 1.184 181 Y HN 0.609 nan 8.280 nan 0.000 0.469 182 Q N 5.599 125.432 119.800 0.055 0.000 2.235 182 Q HA 0.379 4.719 4.340 -0.000 0.000 0.256 182 Q C -2.193 173.642 176.000 -0.276 0.000 0.951 182 Q CA -0.862 54.938 55.803 -0.005 0.000 0.890 182 Q CB 1.594 30.390 28.738 0.097 0.000 1.279 182 Q HN 0.825 nan 8.270 nan 0.000 0.444 183 Y N 5.845 126.043 120.300 -0.170 0.000 2.317 183 Y HA 0.243 4.793 4.550 -0.000 0.000 0.329 183 Y C -0.004 175.939 175.900 0.072 0.000 1.101 183 Y CA -0.415 57.585 58.100 -0.167 0.000 1.228 183 Y CB 0.561 38.853 38.460 -0.279 0.000 1.123 183 Y HN 1.012 nan 8.280 nan 0.000 0.457 184 M N 1.268 120.793 119.600 -0.126 0.000 7.319 184 M HA -0.379 4.101 4.480 -0.000 0.000 0.264 184 M C -0.166 176.256 176.300 0.203 0.000 0.480 184 M CA 2.312 57.617 55.300 0.009 0.000 1.311 184 M CB -1.197 31.461 32.600 0.096 0.000 0.421 184 M HN 0.591 nan 8.290 nan 0.000 0.364 185 D N 0.726 121.283 120.400 0.263 0.000 2.398 185 D HA 0.250 4.890 4.640 -0.000 0.000 0.210 185 D C -0.493 175.850 176.300 0.072 0.000 1.094 185 D CA 0.395 54.489 54.000 0.157 0.000 0.839 185 D CB 0.335 41.218 40.800 0.139 0.000 0.963 185 D HN 0.322 nan 8.370 nan 0.000 0.506 186 D N 0.170 120.667 120.400 0.161 0.000 2.350 186 D HA 0.341 4.981 4.640 -0.000 0.000 0.238 186 D C -0.589 175.744 176.300 0.056 0.000 0.989 186 D CA -0.579 53.451 54.000 0.051 0.000 0.921 186 D CB 2.350 43.147 40.800 -0.004 0.000 1.297 186 D HN -0.170 nan 8.370 nan 0.000 0.490 187 L N 1.468 122.656 121.223 -0.058 0.000 2.322 187 L HA 0.329 4.669 4.340 -0.000 0.000 0.281 187 L C -1.287 175.557 176.870 -0.044 0.000 1.014 187 L CA -0.645 54.210 54.840 0.025 0.000 0.815 187 L CB 0.853 42.906 42.059 -0.011 0.000 1.247 187 L HN 0.251 nan 8.230 nan 0.000 0.421 188 Y N 3.975 124.348 120.300 0.122 0.000 2.478 188 Y HA 0.464 5.014 4.550 -0.000 0.000 0.329 188 Y C -0.043 175.952 175.900 0.158 0.000 0.967 188 Y CA -0.866 57.333 58.100 0.166 0.000 1.255 188 Y CB 1.255 39.858 38.460 0.239 0.000 1.103 188 Y HN 0.177 nan 8.280 nan 0.000 0.497 189 V N 3.349 123.378 119.914 0.192 0.000 2.383 189 V HA 0.729 4.849 4.120 -0.000 0.000 0.275 189 V C 0.533 176.761 176.094 0.224 0.000 1.036 189 V CA -0.581 61.816 62.300 0.162 0.000 0.889 189 V CB 1.070 32.926 31.823 0.054 0.000 0.985 189 V HN 0.873 nan 8.190 nan 0.000 0.459 190 G N 3.139 112.067 108.800 0.214 0.000 2.495 190 G HA2 0.731 4.691 3.960 -0.000 0.000 0.318 190 G HA3 0.731 4.691 3.960 -0.000 0.000 0.318 190 G C -0.582 174.441 174.900 0.205 0.000 1.257 190 G CA -0.263 44.961 45.100 0.207 0.000 0.962 190 G HN 0.907 nan 8.290 nan 0.000 0.483 191 S N -0.062 115.776 115.700 0.229 0.000 2.618 191 S HA 0.520 4.990 4.470 -0.000 0.000 0.277 191 S C -0.533 174.129 174.600 0.104 0.000 1.138 191 S CA -0.674 57.650 58.200 0.206 0.000 0.844 191 S CB 2.408 65.821 63.200 0.356 0.000 1.127 191 S HN 0.255 nan 8.310 nan 0.000 0.474 192 D N 0.408 120.855 120.400 0.077 0.000 2.360 192 D HA 0.331 4.971 4.640 -0.000 0.000 0.210 192 D C 0.767 177.089 176.300 0.037 0.000 1.047 192 D CA 0.008 54.027 54.000 0.032 0.000 0.854 192 D CB -0.089 40.723 40.800 0.019 0.000 0.936 192 D HN 0.485 nan 8.370 nan 0.000 0.514 193 L N 0.732 122.003 121.223 0.080 0.000 2.424 193 L HA -0.017 4.323 4.340 -0.000 0.000 0.274 193 L C 1.079 177.981 176.870 0.053 0.000 1.284 193 L CA 0.569 55.457 54.840 0.081 0.000 0.819 193 L CB 0.029 42.173 42.059 0.141 0.000 1.081 193 L HN 0.047 nan 8.230 nan 0.000 0.577 194 E N -0.575 119.654 120.200 0.049 0.000 2.280 194 E HA 0.215 4.565 4.350 -0.000 0.000 0.261 194 E C 0.905 177.537 176.600 0.053 0.000 1.088 194 E CA -0.600 55.815 56.400 0.024 0.000 0.915 194 E CB 1.122 30.831 29.700 0.015 0.000 1.141 194 E HN 0.362 nan 8.360 nan 0.000 0.433 195 I N 1.181 121.766 120.570 0.025 0.000 2.546 195 I HA -0.353 3.817 4.170 -0.000 0.000 0.199 195 I C 2.154 178.333 176.117 0.103 0.000 0.936 195 I CA 1.866 63.197 61.300 0.052 0.000 1.276 195 I CB -0.802 37.212 38.000 0.022 0.000 0.989 195 I HN 0.824 nan 8.210 nan 0.000 0.371 196 G N -0.815 108.028 108.800 0.071 0.000 2.499 196 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.221 196 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.221 196 G C 1.659 176.605 174.900 0.077 0.000 1.109 196 G CA 1.399 46.542 45.100 0.071 0.000 0.749 196 G HN 0.599 nan 8.290 nan 0.000 0.568 197 Q N 0.364 120.212 119.800 0.081 0.000 1.993 197 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 197 Q C 2.240 178.302 176.000 0.104 0.000 0.984 197 Q CA 1.997 57.845 55.803 0.074 0.000 0.837 197 Q CB -1.099 27.678 28.738 0.065 0.000 0.902 197 Q HN 0.816 nan 8.270 nan 0.000 0.423 198 H N 0.538 119.633 119.070 0.042 0.000 2.265 198 H HA -0.090 4.466 4.556 -0.000 0.000 0.293 198 H C 2.003 177.368 175.328 0.063 0.000 1.089 198 H CA 2.257 58.339 56.048 0.057 0.000 1.244 198 H CB -0.030 29.765 29.762 0.055 0.000 1.355 198 H HN 0.514 nan 8.280 nan 0.000 0.485 199 R N -0.378 120.206 120.500 0.140 0.000 2.397 199 R HA -0.073 4.267 4.340 -0.000 0.000 0.213 199 R C 1.213 177.520 176.300 0.012 0.000 1.102 199 R CA 1.199 57.336 56.100 0.063 0.000 1.040 199 R CB -0.067 30.303 30.300 0.117 0.000 0.844 199 R HN 0.449 nan 8.270 nan 0.000 0.478 200 T N -0.101 114.458 114.554 0.008 0.000 3.056 200 T HA 0.058 4.408 4.350 -0.000 0.000 0.241 200 T C 1.574 176.293 174.700 0.030 0.000 1.006 200 T CA 0.057 62.169 62.100 0.021 0.000 1.115 200 T CB 0.245 69.129 68.868 0.026 0.000 0.939 200 T HN -0.046 nan 8.240 nan 0.000 0.462 201 K N 1.503 121.914 120.400 0.019 0.000 2.103 201 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 201 K C 2.095 178.785 176.600 0.151 0.000 1.048 201 K CA 0.871 57.224 56.287 0.111 0.000 0.930 201 K CB -0.581 31.965 32.500 0.077 0.000 0.716 201 K HN 0.265 nan 8.250 nan 0.000 0.444 202 I N 1.021 121.545 120.570 -0.076 0.000 2.072 202 I HA -0.234 3.936 4.170 -0.000 0.000 0.235 202 I C 2.292 178.394 176.117 -0.026 0.000 1.058 202 I CA 1.239 62.473 61.300 -0.110 0.000 1.320 202 I CB -1.346 36.546 38.000 -0.180 0.000 1.047 202 I HN 0.174 nan 8.210 nan 0.000 0.397 203 E N 1.159 121.356 120.200 -0.005 0.000 2.284 203 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 203 E C 1.928 178.566 176.600 0.064 0.000 1.008 203 E CA 1.548 57.961 56.400 0.022 0.000 0.829 203 E CB -0.092 29.622 29.700 0.024 0.000 0.744 203 E HN 0.507 nan 8.360 nan 0.000 0.491 204 E N -0.246 120.030 120.200 0.127 0.000 2.008 204 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 204 E C 2.206 178.964 176.600 0.263 0.000 0.986 204 E CA 1.034 57.557 56.400 0.205 0.000 0.807 204 E CB -0.359 29.508 29.700 0.278 0.000 0.766 204 E HN 0.305 nan 8.360 nan 0.000 0.450 205 L N 1.387 122.783 121.223 0.287 0.000 2.010 205 L HA -0.323 4.017 4.340 -0.000 0.000 0.219 205 L C 2.618 179.457 176.870 -0.052 0.000 1.077 205 L CA 1.667 56.381 54.840 -0.211 0.000 0.773 205 L CB -0.177 41.264 42.059 -1.031 0.000 0.892 205 L HN 0.093 nan 8.230 nan 0.000 0.436 206 R N -0.827 119.640 120.500 -0.055 0.000 2.113 206 R HA -0.233 4.107 4.340 -0.000 0.000 0.244 206 R C 2.264 178.579 176.300 0.025 0.000 1.142 206 R CA 2.185 58.267 56.100 -0.030 0.000 0.953 206 R CB -0.328 29.961 30.300 -0.019 0.000 0.860 206 R HN 0.546 nan 8.270 nan 0.000 0.438 207 Q N -1.088 118.753 119.800 0.069 0.000 2.230 207 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 207 Q C 1.856 177.951 176.000 0.158 0.000 0.963 207 Q CA 1.124 56.981 55.803 0.091 0.000 0.866 207 Q CB -0.408 28.377 28.738 0.078 0.000 0.931 207 Q HN 0.477 nan 8.270 nan 0.000 0.452 208 H N 1.274 120.381 119.070 0.062 0.000 2.270 208 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 208 H C 1.974 177.378 175.328 0.127 0.000 1.077 208 H CA 1.625 57.726 56.048 0.090 0.000 1.294 208 H CB -0.378 29.472 29.762 0.147 0.000 1.371 208 H HN 0.115 nan 8.280 nan 0.000 0.491 209 L N -0.362 120.868 121.223 0.012 0.000 1.989 209 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 209 L C 2.758 179.674 176.870 0.077 0.000 1.071 209 L CA 1.324 56.142 54.840 -0.035 0.000 0.749 209 L CB -0.783 41.231 42.059 -0.074 0.000 0.890 209 L HN 0.230 nan 8.230 nan 0.000 0.431 210 L N 0.748 122.010 121.223 0.065 0.000 2.129 210 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 210 L C 2.792 179.728 176.870 0.110 0.000 1.087 210 L CA 1.795 56.675 54.840 0.066 0.000 0.757 210 L CB -0.441 41.644 42.059 0.043 0.000 0.896 210 L HN 0.306 nan 8.230 nan 0.000 0.434 211 R N -3.006 117.591 120.500 0.161 0.000 2.280 211 R HA -0.095 4.244 4.340 -0.000 0.000 0.195 211 R C 0.751 177.232 176.300 0.302 0.000 0.935 211 R CA 0.260 56.466 56.100 0.176 0.000 1.033 211 R CB -0.429 29.947 30.300 0.127 0.000 0.964 211 R HN 0.329 nan 8.270 nan 0.000 0.489 212 W N 1.106 122.452 121.300 0.076 0.000 2.159 212 W HA 0.431 5.090 4.660 -0.000 0.000 0.375 212 W C 0.345 176.886 176.519 0.037 0.000 0.794 212 W CA -0.514 56.873 57.345 0.070 0.000 2.716 212 W CB 0.608 30.134 29.460 0.109 0.000 1.583 212 W HN 0.426 nan 8.180 nan 0.000 0.702 213 G N 0.852 109.737 108.800 0.142 0.000 2.253 213 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 213 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 213 G C -0.608 174.309 174.900 0.028 0.000 0.997 213 G CA -0.031 45.093 45.100 0.039 0.000 0.640 213 G HN 0.474 nan 8.290 nan 0.000 0.496 214 L N -0.524 120.716 121.223 0.028 0.000 2.470 214 L HA 0.818 5.158 4.340 -0.000 0.000 0.268 214 L C 0.179 177.028 176.870 -0.036 0.000 0.964 214 L CA -0.401 54.428 54.840 -0.018 0.000 0.839 214 L CB 0.790 42.825 42.059 -0.039 0.000 1.276 214 L HN 0.280 nan 8.230 nan 0.000 0.403 215 T N 0.486 115.008 114.554 -0.055 0.000 2.939 215 T HA 0.426 4.776 4.350 -0.000 0.000 0.319 215 T C 0.323 174.970 174.700 -0.088 0.000 1.082 215 T CA 0.343 62.407 62.100 -0.062 0.000 1.133 215 T CB 0.006 68.830 68.868 -0.074 0.000 1.019 215 T HN 0.925 nan 8.240 nan 0.000 0.548 216 T N 0.554 115.064 114.554 -0.074 0.000 3.305 216 T HA 0.343 4.693 4.350 -0.000 0.000 0.309 216 T C -2.484 172.169 174.700 -0.078 0.000 0.889 216 T CA -1.102 60.945 62.100 -0.087 0.000 1.386 216 T CB 1.092 69.912 68.868 -0.080 0.000 0.929 216 T HN 0.260 nan 8.240 nan 0.000 0.538 217 P HA -0.024 nan 4.420 nan 0.000 0.202 217 P C -0.178 177.063 177.300 -0.098 0.000 1.149 217 P CA 1.296 64.338 63.100 -0.097 0.000 0.931 217 P CB 0.005 31.634 31.700 -0.117 0.000 0.762 218 D N -1.096 119.237 120.400 -0.112 0.000 2.303 218 D HA 0.242 4.882 4.640 -0.000 0.000 0.236 218 D C 0.497 176.774 176.300 -0.038 0.000 1.068 218 D CA -0.531 53.411 54.000 -0.096 0.000 0.830 218 D CB 2.015 42.723 40.800 -0.154 0.000 1.109 218 D HN 0.194 nan 8.370 nan 0.000 0.496 219 K N 0.431 120.833 120.400 0.003 0.000 2.567 219 K HA 0.302 4.622 4.320 -0.000 0.000 0.199 219 K C 0.484 177.145 176.600 0.101 0.000 1.412 219 K CA 0.380 56.700 56.287 0.056 0.000 1.020 219 K CB 0.531 33.051 32.500 0.033 0.000 1.487 219 K HN 0.343 nan 8.250 nan 0.000 0.531 220 K N -0.261 120.184 120.400 0.076 0.000 2.373 220 K HA 0.434 4.754 4.320 -0.000 0.000 0.274 220 K C -0.288 176.375 176.600 0.104 0.000 1.024 220 K CA -0.033 56.359 56.287 0.175 0.000 0.867 220 K CB 0.347 32.940 32.500 0.156 0.000 1.524 220 K HN 0.197 nan 8.250 nan 0.000 0.406 221 H N -0.158 118.913 119.070 0.002 0.000 2.343 221 H HA 0.281 4.837 4.556 -0.000 0.000 0.322 221 H C 0.830 176.154 175.328 -0.007 0.000 1.194 221 H CA 1.314 57.356 56.048 -0.010 0.000 1.780 221 H CB 0.362 30.116 29.762 -0.014 0.000 1.521 221 H HN 0.723 nan 8.280 nan 0.000 0.638 222 Q N -1.856 118.040 119.800 0.159 0.000 2.831 222 Q HA 0.615 4.955 4.340 -0.000 0.000 0.322 222 Q C 0.362 176.390 176.000 0.048 0.000 0.923 222 Q CA -0.540 55.307 55.803 0.074 0.000 0.767 222 Q CB 1.267 30.039 28.738 0.056 0.000 1.469 222 Q HN 0.177 nan 8.270 nan 0.000 0.496 223 K N -0.433 119.986 120.400 0.031 0.000 2.418 223 K HA 0.172 4.492 4.320 -0.000 0.000 0.195 223 K C 0.909 177.515 176.600 0.011 0.000 1.035 223 K CA 1.309 57.608 56.287 0.021 0.000 1.003 223 K CB -0.878 31.632 32.500 0.018 0.000 0.793 223 K HN 0.692 nan 8.250 nan 0.000 0.494 224 E N 2.707 122.912 120.200 0.009 0.000 2.341 224 E HA 0.320 4.669 4.350 -0.000 0.000 0.256 224 E C -2.372 174.221 176.600 -0.011 0.000 1.125 224 E CA -1.381 55.019 56.400 -0.001 0.000 0.939 224 E CB -0.776 28.922 29.700 -0.002 0.000 0.991 224 E HN 0.517 nan 8.360 nan 0.000 0.458 225 P HA 0.504 nan 4.420 nan 0.000 0.284 225 P C -1.539 175.749 177.300 -0.019 0.000 1.343 225 P CA -0.465 62.626 63.100 -0.015 0.000 0.826 225 P CB 1.780 33.475 31.700 -0.008 0.000 0.956 226 P HA 0.411 nan 4.420 nan 0.000 0.300 226 P C 0.204 177.487 177.300 -0.030 0.000 1.349 226 P CA 0.301 63.384 63.100 -0.030 0.000 1.054 226 P CB -0.757 30.920 31.700 -0.038 0.000 1.548 227 F N -2.630 117.303 119.950 -0.028 0.000 3.006 227 F HA 0.130 4.657 4.527 -0.000 0.000 0.318 227 F C 0.620 176.402 175.800 -0.031 0.000 0.936 227 F CA -0.157 57.829 58.000 -0.024 0.000 1.151 227 F CB -2.325 36.665 39.000 -0.017 0.000 1.212 227 F HN 0.572 nan 8.300 nan 0.000 0.687 228 L N -1.936 119.259 121.223 -0.046 0.000 3.011 228 L HA 0.929 5.269 4.340 -0.000 0.000 0.185 228 L C 1.910 178.755 176.870 -0.041 0.000 1.457 228 L CA 0.511 55.315 54.840 -0.060 0.000 1.482 228 L CB -0.079 41.911 42.059 -0.114 0.000 2.432 228 L HN 2.321 nan 8.230 nan 0.000 0.546 229 W N -3.915 117.357 121.300 -0.047 0.000 0.852 229 W HA 0.461 5.121 4.660 -0.000 0.000 0.154 229 W C 1.644 178.174 176.519 0.019 0.000 0.660 229 W CA 1.418 58.759 57.345 -0.005 0.000 0.576 229 W CB -0.544 28.923 29.460 0.013 0.000 0.757 229 W HN 1.332 nan 8.180 nan 0.000 0.399 230 M N 1.591 121.173 119.600 -0.030 0.000 2.686 230 M HA 0.527 5.007 4.480 -0.000 0.000 0.246 230 M C 1.064 177.464 176.300 0.166 0.000 1.096 230 M CA 1.145 56.468 55.300 0.039 0.000 1.076 230 M CB -1.428 31.160 32.600 -0.021 0.000 1.504 230 M HN 0.958 nan 8.290 nan 0.000 0.524 231 G N -0.690 108.172 108.800 0.103 0.000 2.364 231 G HA2 0.396 4.356 3.960 -0.000 0.000 0.267 231 G HA3 0.396 4.356 3.960 -0.000 0.000 0.267 231 G C -0.739 174.287 174.900 0.210 0.000 1.233 231 G CA -0.309 44.902 45.100 0.186 0.000 0.885 231 G HN 0.561 nan 8.290 nan 0.000 0.490 232 Y N 2.430 122.774 120.300 0.073 0.000 2.595 232 Y HA 0.277 4.827 4.550 -0.000 0.000 0.347 232 Y C 0.697 176.611 175.900 0.023 0.000 1.025 232 Y CA -0.524 57.600 58.100 0.040 0.000 1.295 232 Y CB 0.138 38.610 38.460 0.020 0.000 1.147 232 Y HN 0.528 nan 8.280 nan 0.000 0.515 233 E N 4.489 124.462 120.200 -0.377 0.000 2.263 233 E HA 0.629 4.979 4.350 -0.000 0.000 0.264 233 E C -1.320 174.914 176.600 -0.610 0.000 0.923 233 E CA -1.068 55.110 56.400 -0.370 0.000 0.802 233 E CB 2.821 32.397 29.700 -0.207 0.000 1.228 233 E HN 0.468 nan 8.360 nan 0.000 0.417 234 L N 0.976 121.801 121.223 -0.664 0.000 2.376 234 L HA 0.413 4.753 4.340 -0.000 0.000 0.258 234 L C -0.986 175.312 176.870 -0.954 0.000 1.013 234 L CA -0.717 53.743 54.840 -0.632 0.000 0.822 234 L CB 2.133 44.038 42.059 -0.256 0.000 1.388 234 L HN 0.534 nan 8.230 nan 0.000 0.413 235 H N 1.014 119.917 119.070 -0.278 0.000 2.490 235 H HA 0.165 4.721 4.556 -0.000 0.000 0.230 235 H C -2.191 172.692 175.328 -0.743 0.000 1.417 235 H CA -1.538 54.276 56.048 -0.391 0.000 1.449 235 H CB 0.943 30.558 29.762 -0.246 0.000 1.649 235 H HN 0.251 nan 8.280 nan 0.000 0.519 236 P HA -0.260 nan 4.420 nan 0.000 0.220 236 P C 1.406 178.154 177.300 -0.920 0.000 1.155 236 P CA 2.083 64.324 63.100 -1.430 0.000 0.880 236 P CB 0.256 31.569 31.700 -0.645 0.000 0.790 237 D N 0.110 120.235 120.400 -0.458 0.000 2.228 237 D HA -0.228 4.412 4.640 -0.000 0.000 0.203 237 D C 1.663 177.853 176.300 -0.185 0.000 0.988 237 D CA 1.788 55.637 54.000 -0.252 0.000 0.864 237 D CB -0.519 40.182 40.800 -0.164 0.000 0.928 237 D HN 0.373 nan 8.370 nan 0.000 0.469 238 K N -0.258 120.027 120.400 -0.192 0.000 2.157 238 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 238 K C 0.503 177.162 176.600 0.099 0.000 1.030 238 K CA -0.026 56.240 56.287 -0.035 0.000 0.965 238 K CB -1.110 31.390 32.500 -0.000 0.000 0.877 238 K HN 0.244 nan 8.250 nan 0.000 0.460 239 W N 2.929 124.262 121.300 0.055 0.000 2.571 239 W HA 0.141 4.801 4.660 -0.000 0.000 0.351 239 W C 0.214 176.758 176.519 0.041 0.000 1.106 239 W CA 0.806 58.189 57.345 0.063 0.000 1.158 239 W CB -1.270 28.242 29.460 0.087 0.000 1.161 239 W HN 0.563 nan 8.180 nan 0.000 0.578 240 T N 2.849 117.581 114.554 0.297 0.000 3.413 240 T HA 0.465 4.815 4.350 -0.000 0.000 0.187 240 T C 0.796 175.574 174.700 0.129 0.000 0.961 240 T CA 1.232 63.453 62.100 0.201 0.000 1.085 240 T CB -0.440 68.508 68.868 0.135 0.000 1.345 240 T HN 0.999 nan 8.240 nan 0.000 0.326 241 V N -1.101 118.875 119.914 0.104 0.000 3.707 241 V HA 0.811 4.931 4.120 -0.000 0.000 0.293 241 V C -0.842 175.307 176.094 0.092 0.000 1.307 241 V CA -0.668 61.685 62.300 0.088 0.000 0.971 241 V CB 1.074 32.948 31.823 0.085 0.000 1.263 241 V HN 0.794 nan 8.190 nan 0.000 0.473 242 Q N -0.487 119.383 119.800 0.116 0.000 2.394 242 Q HA 0.518 4.858 4.340 -0.000 0.000 0.273 242 Q C -2.616 173.469 176.000 0.142 0.000 1.089 242 Q CA -1.918 53.970 55.803 0.142 0.000 0.812 242 Q CB 2.558 31.417 28.738 0.201 0.000 1.353 242 Q HN 0.618 nan 8.270 nan 0.000 0.438 243 P HA 0.048 nan 4.420 nan 0.000 0.301 243 P C -0.128 177.233 177.300 0.102 0.000 1.560 243 P CA 0.475 63.641 63.100 0.110 0.000 0.784 243 P CB -0.403 31.373 31.700 0.127 0.000 1.715 244 I N 0.728 121.361 120.570 0.105 0.000 2.566 244 I HA 0.001 4.171 4.170 -0.000 0.000 0.286 244 I C 0.211 176.314 176.117 -0.025 0.000 1.060 244 I CA -0.405 60.931 61.300 0.059 0.000 2.222 244 I CB -0.343 37.686 38.000 0.048 0.000 1.534 244 I HN -0.174 nan 8.210 nan 0.000 0.987 245 V N 3.137 123.043 119.914 -0.013 0.000 2.539 245 V HA 0.503 4.623 4.120 -0.000 0.000 0.292 245 V C 0.029 176.100 176.094 -0.038 0.000 1.045 245 V CA -0.854 61.426 62.300 -0.034 0.000 0.945 245 V CB 1.570 33.380 31.823 -0.022 0.000 0.993 245 V HN 0.258 nan 8.190 nan 0.000 0.464 246 L N 3.606 124.816 121.223 -0.022 0.000 2.399 246 L HA 0.574 4.914 4.340 -0.000 0.000 0.265 246 L C -2.133 174.766 176.870 0.048 0.000 1.089 246 L CA -1.785 53.064 54.840 0.016 0.000 0.802 246 L CB 1.240 43.313 42.059 0.024 0.000 1.180 246 L HN 0.462 nan 8.230 nan 0.000 0.454 247 P HA 0.079 nan 4.420 nan 0.000 0.274 247 P C -1.245 176.142 177.300 0.146 0.000 1.231 247 P CA -0.374 62.765 63.100 0.064 0.000 0.790 247 P CB 0.478 32.181 31.700 0.005 0.000 0.951 248 E N 0.728 120.943 120.200 0.026 0.000 2.114 248 E HA 0.573 4.923 4.350 -0.000 0.000 0.266 248 E C -0.527 176.005 176.600 -0.113 0.000 0.896 248 E CA -0.767 55.665 56.400 0.053 0.000 0.750 248 E CB 0.756 30.472 29.700 0.028 0.000 1.121 248 E HN 0.334 nan 8.360 nan 0.000 0.413 249 K N 2.322 122.591 120.400 -0.218 0.000 2.261 249 K HA 0.515 4.835 4.320 -0.000 0.000 0.242 249 K C -0.335 176.086 176.600 -0.298 0.000 1.083 249 K CA -0.253 55.722 56.287 -0.520 0.000 0.880 249 K CB 0.653 32.358 32.500 -1.325 0.000 1.353 249 K HN 0.308 nan 8.250 nan 0.000 0.486 250 D N -0.999 119.207 120.400 -0.324 0.000 2.531 250 D HA 0.155 4.795 4.640 -0.000 0.000 0.263 250 D C -0.318 175.921 176.300 -0.102 0.000 1.057 250 D CA 0.757 54.678 54.000 -0.132 0.000 0.909 250 D CB 1.054 41.799 40.800 -0.092 0.000 1.236 250 D HN 0.322 nan 8.370 nan 0.000 0.494 251 S N 0.811 116.394 115.700 -0.195 0.000 2.269 251 S HA 0.251 4.721 4.470 -0.000 0.000 0.194 251 S C -1.052 173.494 174.600 -0.090 0.000 1.547 251 S CA -0.692 57.459 58.200 -0.081 0.000 1.186 251 S CB -0.092 63.072 63.200 -0.061 0.000 1.069 251 S HN 0.134 nan 8.310 nan 0.000 0.473 252 W N 3.283 124.577 121.300 -0.010 0.000 2.529 252 W HA 0.288 4.947 4.660 -0.000 0.000 0.319 252 W C 1.312 177.826 176.519 -0.009 0.000 1.362 252 W CA -0.453 56.886 57.345 -0.010 0.000 1.348 252 W CB -0.022 29.431 29.460 -0.012 0.000 1.403 252 W HN 0.437 nan 8.180 nan 0.000 0.519 253 T N -1.236 113.431 114.554 0.188 0.000 2.849 253 T HA 0.281 4.631 4.350 -0.000 0.000 0.276 253 T C 1.011 175.790 174.700 0.133 0.000 0.971 253 T CA -0.824 61.347 62.100 0.118 0.000 0.949 253 T CB 1.029 69.933 68.868 0.060 0.000 1.093 253 T HN 0.165 nan 8.240 nan 0.000 0.545 254 V N 1.596 121.560 119.914 0.083 0.000 2.237 254 V HA -0.199 3.920 4.120 -0.000 0.000 0.245 254 V C 2.998 179.135 176.094 0.071 0.000 1.046 254 V CA 2.143 64.483 62.300 0.067 0.000 1.007 254 V CB -1.252 30.596 31.823 0.041 0.000 0.638 254 V HN 1.029 nan 8.190 nan 0.000 0.445 255 N N 0.551 119.286 118.700 0.058 0.000 2.069 255 N HA -0.304 4.436 4.740 -0.000 0.000 0.196 255 N C 1.585 177.144 175.510 0.081 0.000 1.024 255 N CA 2.480 55.562 53.050 0.053 0.000 0.869 255 N CB -0.380 38.129 38.487 0.038 0.000 1.035 255 N HN 0.537 nan 8.380 nan 0.000 0.434 256 D N 0.419 120.891 120.400 0.119 0.000 2.123 256 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 256 D C 2.014 178.487 176.300 0.289 0.000 0.992 256 D CA 1.251 55.376 54.000 0.209 0.000 0.833 256 D CB -0.119 40.829 40.800 0.246 0.000 0.954 256 D HN 0.515 nan 8.370 nan 0.000 0.455 257 I N 0.069 120.762 120.570 0.204 0.000 2.400 257 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 257 I C 2.192 178.333 176.117 0.039 0.000 1.109 257 I CA 1.064 62.410 61.300 0.075 0.000 1.425 257 I CB -0.254 37.740 38.000 -0.011 0.000 1.094 257 I HN -0.152 nan 8.210 nan 0.000 0.425 258 Q N 0.879 120.706 119.800 0.046 0.000 2.118 258 Q HA -0.298 4.042 4.340 -0.000 0.000 0.211 258 Q C 2.198 178.216 176.000 0.030 0.000 0.998 258 Q CA 2.584 58.405 55.803 0.029 0.000 0.872 258 Q CB -0.170 28.586 28.738 0.031 0.000 0.925 258 Q HN 0.601 nan 8.270 nan 0.000 0.414 259 K N 0.162 120.590 120.400 0.046 0.000 1.973 259 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 259 K C 2.067 178.692 176.600 0.041 0.000 1.047 259 K CA 1.121 57.432 56.287 0.041 0.000 0.937 259 K CB -0.532 31.998 32.500 0.050 0.000 0.721 259 K HN 0.096 nan 8.250 nan 0.000 0.440 260 L N 1.770 123.030 121.223 0.061 0.000 2.198 260 L HA -0.262 4.078 4.340 -0.000 0.000 0.218 260 L C 1.909 178.782 176.870 0.006 0.000 1.084 260 L CA 1.659 56.524 54.840 0.043 0.000 0.779 260 L CB -0.488 41.589 42.059 0.029 0.000 0.890 260 L HN 0.007 nan 8.230 nan 0.000 0.439 261 V N -0.393 119.522 119.914 0.002 0.000 2.358 261 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 261 V C 2.522 178.625 176.094 0.016 0.000 1.047 261 V CA 1.764 64.062 62.300 -0.005 0.000 1.035 261 V CB -1.425 30.395 31.823 -0.006 0.000 0.658 261 V HN 0.624 nan 8.190 nan 0.000 0.452 262 G N -0.862 107.955 108.800 0.028 0.000 2.623 262 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.214 262 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.214 262 G C 1.567 176.516 174.900 0.081 0.000 1.138 262 G CA 0.509 45.637 45.100 0.046 0.000 0.794 262 G HN 0.481 nan 8.290 nan 0.000 0.535 263 K N 0.020 120.462 120.400 0.070 0.000 2.076 263 K HA 0.196 4.516 4.320 -0.000 0.000 0.204 263 K C 2.178 178.862 176.600 0.140 0.000 1.051 263 K CA 0.355 56.709 56.287 0.112 0.000 0.949 263 K CB -0.161 32.377 32.500 0.063 0.000 0.726 263 K HN 0.278 nan 8.250 nan 0.000 0.443 264 L N 1.675 122.931 121.223 0.056 0.000 2.240 264 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 264 L C 2.477 179.354 176.870 0.011 0.000 1.106 264 L CA 0.691 55.533 54.840 0.004 0.000 0.793 264 L CB -0.543 41.499 42.059 -0.028 0.000 0.927 264 L HN 0.410 nan 8.230 nan 0.000 0.446 265 N N 0.205 118.934 118.700 0.048 0.000 2.109 265 N HA -0.271 4.469 4.740 -0.000 0.000 0.188 265 N C 1.925 177.484 175.510 0.082 0.000 1.034 265 N CA 1.298 54.378 53.050 0.050 0.000 0.846 265 N CB -0.420 38.102 38.487 0.059 0.000 1.010 265 N HN 0.375 nan 8.380 nan 0.000 0.425 266 W N 2.395 123.652 121.300 -0.070 0.000 2.275 266 W HA -0.128 4.532 4.660 -0.000 0.000 0.321 266 W C 1.034 177.485 176.519 -0.112 0.000 1.269 266 W CA 2.072 59.354 57.345 -0.105 0.000 1.274 266 W CB -0.942 28.419 29.460 -0.164 0.000 1.141 266 W HN 0.207 nan 8.180 nan 0.000 0.493 267 A N 0.721 123.332 122.820 -0.347 0.000 3.052 267 A HA 0.349 4.669 4.320 -0.000 0.000 0.266 267 A C 1.023 178.472 177.584 -0.224 0.000 1.855 267 A CA 0.981 52.722 52.037 -0.492 0.000 1.473 267 A CB -0.862 17.955 19.000 -0.304 0.000 1.038 267 A HN 0.209 nan 8.150 nan 0.000 0.619 268 S N -0.051 115.527 115.700 -0.204 0.000 2.900 268 S HA 0.197 4.667 4.470 -0.000 0.000 0.253 268 S C 0.826 175.396 174.600 -0.049 0.000 1.029 268 S CA -0.062 58.092 58.200 -0.077 0.000 1.096 268 S CB 0.008 63.195 63.200 -0.022 0.000 1.067 268 S HN 0.704 nan 8.310 nan 0.000 0.610 269 Q N 0.218 119.966 119.800 -0.087 0.000 2.140 269 Q HA 0.418 4.758 4.340 -0.000 0.000 0.227 269 Q C 0.338 176.312 176.000 -0.043 0.000 0.798 269 Q CA -0.123 55.704 55.803 0.039 0.000 0.987 269 Q CB 1.026 29.985 28.738 0.368 0.000 1.161 269 Q HN 0.377 nan 8.270 nan 0.000 0.480 270 I N -1.269 119.202 120.570 -0.165 0.000 4.480 270 I HA 0.187 4.357 4.170 -0.000 0.000 0.151 270 I C 0.132 176.145 176.117 -0.173 0.000 0.621 270 I CA -0.989 60.172 61.300 -0.231 0.000 2.443 270 I CB -0.845 36.961 38.000 -0.323 0.000 1.255 270 I HN -0.075 nan 8.210 nan 0.000 0.440 271 Y N 2.664 122.865 120.300 -0.165 0.000 2.916 271 Y HA -0.047 4.503 4.550 -0.000 0.000 0.344 271 Y C -1.521 174.323 175.900 -0.094 0.000 1.282 271 Y CA -0.397 57.634 58.100 -0.114 0.000 1.604 271 Y CB -0.606 37.784 38.460 -0.116 0.000 1.207 271 Y HN 0.289 nan 8.280 nan 0.000 0.561 272 P HA -0.060 nan 4.420 nan 0.000 0.218 272 P C 1.705 179.025 177.300 0.032 0.000 1.152 272 P CA 1.504 64.619 63.100 0.026 0.000 0.826 272 P CB 0.229 31.936 31.700 0.011 0.000 0.790 273 G N -0.601 108.232 108.800 0.056 0.000 2.928 273 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.223 273 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.223 273 G C 0.358 175.256 174.900 -0.003 0.000 1.074 273 G CA 1.056 46.173 45.100 0.027 0.000 0.703 273 G HN 0.297 nan 8.290 nan 0.000 0.629 274 I N -2.047 118.519 120.570 -0.008 0.000 2.918 274 I HA 0.468 4.638 4.170 -0.000 0.000 0.301 274 I C -1.296 174.808 176.117 -0.021 0.000 1.312 274 I CA -0.952 60.333 61.300 -0.025 0.000 1.007 274 I CB 2.619 40.591 38.000 -0.046 0.000 1.281 274 I HN -0.344 nan 8.210 nan 0.000 0.440 275 K N 4.426 124.813 120.400 -0.021 0.000 2.687 275 K HA 0.522 4.842 4.320 -0.000 0.000 0.249 275 K C -0.324 176.264 176.600 -0.021 0.000 0.994 275 K CA -0.497 55.781 56.287 -0.016 0.000 0.913 275 K CB 1.888 34.381 32.500 -0.011 0.000 1.202 275 K HN 0.640 nan 8.250 nan 0.000 0.460 276 V N 3.193 123.093 119.914 -0.023 0.000 3.292 276 V HA 0.017 4.137 4.120 -0.000 0.000 0.372 276 V C 1.888 177.965 176.094 -0.027 0.000 1.249 276 V CA 0.394 62.675 62.300 -0.032 0.000 1.378 276 V CB -0.602 31.197 31.823 -0.039 0.000 1.245 276 V HN 0.534 nan 8.190 nan 0.000 0.467 277 R N -0.015 120.473 120.500 -0.020 0.000 2.140 277 R HA -0.242 4.098 4.340 -0.000 0.000 0.250 277 R C 2.033 178.320 176.300 -0.021 0.000 1.150 277 R CA 2.727 58.817 56.100 -0.017 0.000 0.966 277 R CB -0.328 29.964 30.300 -0.013 0.000 0.869 277 R HN 0.785 nan 8.270 nan 0.000 0.445 278 Q N -1.178 118.606 119.800 -0.026 0.000 2.049 278 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 278 Q C 1.851 177.827 176.000 -0.040 0.000 0.971 278 Q CA 1.262 57.047 55.803 -0.031 0.000 0.833 278 Q CB -0.199 28.519 28.738 -0.032 0.000 0.896 278 Q HN 0.230 nan 8.270 nan 0.000 0.434 279 L N 0.919 122.112 121.223 -0.049 0.000 2.217 279 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 279 L C 2.322 179.159 176.870 -0.054 0.000 1.107 279 L CA 1.863 56.664 54.840 -0.064 0.000 0.783 279 L CB -0.757 41.253 42.059 -0.083 0.000 0.919 279 L HN 0.195 nan 8.230 nan 0.000 0.442 280 S N -0.269 115.408 115.700 -0.038 0.000 2.348 280 S HA -0.304 4.166 4.470 -0.000 0.000 0.221 280 S C 2.093 176.679 174.600 -0.023 0.000 1.033 280 S CA 1.381 59.565 58.200 -0.027 0.000 1.010 280 S CB -0.786 62.404 63.200 -0.016 0.000 0.891 280 S HN 0.572 nan 8.310 nan 0.000 0.442 281 K N 0.920 121.307 120.400 -0.022 0.000 2.286 281 K HA -0.094 4.225 4.320 -0.000 0.000 0.203 281 K C 1.867 178.454 176.600 -0.021 0.000 1.045 281 K CA 1.212 57.488 56.287 -0.018 0.000 0.935 281 K CB -0.565 31.925 32.500 -0.017 0.000 0.737 281 K HN 0.413 nan 8.250 nan 0.000 0.460 282 L N 1.355 122.560 121.223 -0.031 0.000 2.740 282 L HA -0.009 4.331 4.340 -0.000 0.000 0.242 282 L C 0.007 176.861 176.870 -0.026 0.000 1.175 282 L CA 1.416 56.236 54.840 -0.034 0.000 0.859 282 L CB -0.143 41.883 42.059 -0.054 0.000 0.992 282 L HN 0.254 nan 8.230 nan 0.000 0.454 283 L N -0.680 120.532 121.223 -0.018 0.000 2.869 283 L HA 0.230 4.570 4.340 -0.000 0.000 0.320 283 L C 1.407 178.274 176.870 -0.006 0.000 1.306 283 L CA -0.155 54.679 54.840 -0.010 0.000 0.731 283 L CB 0.034 42.089 42.059 -0.007 0.000 1.123 283 L HN 0.177 nan 8.230 nan 0.000 0.553 284 R N 0.510 121.006 120.500 -0.007 0.000 2.090 284 R HA 0.073 4.413 4.340 -0.000 0.000 0.228 284 R C 1.089 177.389 176.300 -0.001 0.000 1.110 284 R CA 0.969 57.067 56.100 -0.004 0.000 0.973 284 R CB -0.043 30.254 30.300 -0.005 0.000 0.869 284 R HN 0.307 nan 8.270 nan 0.000 0.440 285 G N 0.297 109.096 108.800 -0.001 0.000 2.750 285 G HA2 0.026 3.986 3.960 -0.000 0.000 0.250 285 G HA3 0.026 3.986 3.960 -0.000 0.000 0.250 285 G C -0.108 174.794 174.900 0.003 0.000 1.230 285 G CA 0.162 45.263 45.100 0.001 0.000 0.883 285 G HN 0.409 nan 8.290 nan 0.000 0.573 286 T N -1.379 113.178 114.554 0.004 0.000 3.273 286 T HA 0.369 4.719 4.350 -0.000 0.000 0.242 286 T C 0.585 175.289 174.700 0.007 0.000 1.228 286 T CA -0.593 61.510 62.100 0.006 0.000 1.173 286 T CB -0.096 68.775 68.868 0.006 0.000 1.134 286 T HN 0.431 nan 8.240 nan 0.000 0.635 287 K N 1.033 121.438 120.400 0.008 0.000 2.244 287 K HA 0.525 4.844 4.320 -0.000 0.000 0.242 287 K C 0.623 177.230 176.600 0.012 0.000 1.082 287 K CA -0.303 55.989 56.287 0.010 0.000 0.841 287 K CB 0.232 32.738 32.500 0.011 0.000 1.129 287 K HN 0.577 nan 8.250 nan 0.000 0.516 288 A N 0.524 123.352 122.820 0.014 0.000 2.306 288 A HA 0.307 4.627 4.320 -0.000 0.000 0.330 288 A C 1.233 178.829 177.584 0.019 0.000 1.146 288 A CA -0.618 51.428 52.037 0.014 0.000 0.827 288 A CB 0.404 19.412 19.000 0.013 0.000 1.178 288 A HN 0.664 nan 8.150 nan 0.000 0.490 289 L N 0.808 122.042 121.223 0.018 0.000 1.948 289 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 289 L C 2.599 179.485 176.870 0.026 0.000 1.074 289 L CA 2.057 56.911 54.840 0.023 0.000 0.753 289 L CB -1.040 41.030 42.059 0.019 0.000 0.888 289 L HN 0.847 nan 8.230 nan 0.000 0.432 290 T N -0.657 113.908 114.554 0.019 0.000 2.751 290 T HA -0.249 4.100 4.350 -0.000 0.000 0.268 290 T C 0.909 175.621 174.700 0.021 0.000 1.045 290 T CA 0.985 63.094 62.100 0.016 0.000 1.142 290 T CB -0.394 68.480 68.868 0.011 0.000 0.851 290 T HN 0.344 nan 8.240 nan 0.000 0.474 291 E N 0.810 121.024 120.200 0.023 0.000 2.478 291 E HA 0.129 4.479 4.350 -0.000 0.000 0.262 291 E C -0.356 176.266 176.600 0.038 0.000 1.243 291 E CA -0.132 56.283 56.400 0.026 0.000 1.039 291 E CB 0.493 30.206 29.700 0.022 0.000 0.983 291 E HN 0.213 nan 8.360 nan 0.000 0.479 292 V N 0.618 120.556 119.914 0.040 0.000 2.604 292 V HA 0.605 4.725 4.120 -0.000 0.000 0.305 292 V C -0.575 175.550 176.094 0.052 0.000 1.043 292 V CA -1.000 61.335 62.300 0.057 0.000 0.888 292 V CB 1.615 33.470 31.823 0.054 0.000 0.995 292 V HN 0.511 nan 8.190 nan 0.000 0.429 293 I N 4.642 125.252 120.570 0.067 0.000 2.466 293 I HA 0.688 4.858 4.170 -0.000 0.000 0.289 293 I C -2.143 174.001 176.117 0.044 0.000 1.026 293 I CA -2.180 59.145 61.300 0.041 0.000 1.078 293 I CB 2.285 40.298 38.000 0.023 0.000 1.249 293 I HN 0.648 nan 8.210 nan 0.000 0.429 294 P HA 0.311 nan 4.420 nan 0.000 0.282 294 P C 0.888 178.173 177.300 -0.024 0.000 1.286 294 P CA -0.243 62.867 63.100 0.016 0.000 0.777 294 P CB 0.782 32.490 31.700 0.012 0.000 1.184 295 L N -1.758 119.451 121.223 -0.023 0.000 2.408 295 L HA 0.087 4.427 4.340 -0.000 0.000 0.215 295 L C 0.735 177.574 176.870 -0.052 0.000 1.081 295 L CA 0.513 55.321 54.840 -0.053 0.000 0.840 295 L CB -0.850 41.192 42.059 -0.029 0.000 1.002 295 L HN 0.228 nan 8.230 nan 0.000 0.468 296 T N 1.833 116.367 114.554 -0.033 0.000 2.751 296 T HA 0.182 4.532 4.350 -0.000 0.000 0.279 296 T C -0.040 174.637 174.700 -0.037 0.000 0.941 296 T CA 0.581 62.663 62.100 -0.030 0.000 1.192 296 T CB 0.109 68.965 68.868 -0.019 0.000 0.883 296 T HN 0.113 nan 8.240 nan 0.000 0.534 297 E N 0.961 121.134 120.200 -0.044 0.000 2.429 297 E HA 0.270 4.620 4.350 -0.000 0.000 0.276 297 E C 0.836 177.413 176.600 -0.039 0.000 0.953 297 E CA -0.737 55.636 56.400 -0.045 0.000 0.787 297 E CB 1.365 31.029 29.700 -0.061 0.000 1.307 297 E HN 0.618 nan 8.360 nan 0.000 0.458 298 E N 0.332 120.511 120.200 -0.036 0.000 2.170 298 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 298 E C 1.140 177.718 176.600 -0.037 0.000 0.981 298 E CA 0.917 57.299 56.400 -0.031 0.000 0.830 298 E CB 0.128 29.813 29.700 -0.026 0.000 0.775 298 E HN 0.324 nan 8.360 nan 0.000 0.470 299 A N 1.633 124.426 122.820 -0.046 0.000 2.030 299 A HA -0.046 4.273 4.320 -0.000 0.000 0.215 299 A C 2.065 179.607 177.584 -0.071 0.000 1.164 299 A CA 0.477 52.480 52.037 -0.055 0.000 0.697 299 A CB -0.157 18.807 19.000 -0.059 0.000 0.827 299 A HN 0.128 nan 8.150 nan 0.000 0.457 300 E N 0.356 120.509 120.200 -0.079 0.000 2.333 300 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 300 E C 1.776 178.331 176.600 -0.076 0.000 1.007 300 E CA 1.249 57.592 56.400 -0.095 0.000 0.845 300 E CB -0.163 29.478 29.700 -0.098 0.000 0.766 300 E HN 0.680 nan 8.360 nan 0.000 0.507 301 L N -0.394 120.794 121.223 -0.058 0.000 2.450 301 L HA -0.067 4.272 4.340 -0.000 0.000 0.224 301 L C 1.532 178.372 176.870 -0.050 0.000 1.149 301 L CA 1.349 56.161 54.840 -0.046 0.000 0.816 301 L CB -0.054 41.984 42.059 -0.036 0.000 0.932 301 L HN -0.176 nan 8.230 nan 0.000 0.449 302 E N 0.319 120.483 120.200 -0.061 0.000 2.045 302 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 302 E C 1.898 178.451 176.600 -0.078 0.000 0.968 302 E CA 1.112 57.473 56.400 -0.064 0.000 0.813 302 E CB -0.813 28.849 29.700 -0.064 0.000 0.780 302 E HN 0.389 nan 8.360 nan 0.000 0.455 303 L N 0.766 121.928 121.223 -0.101 0.000 2.263 303 L HA -0.078 4.262 4.340 -0.000 0.000 0.216 303 L C 1.611 178.429 176.870 -0.086 0.000 1.111 303 L CA 1.673 56.444 54.840 -0.114 0.000 0.773 303 L CB -0.984 40.974 42.059 -0.169 0.000 0.906 303 L HN 0.079 nan 8.230 nan 0.000 0.439 304 A N -0.065 122.711 122.820 -0.074 0.000 1.839 304 A HA -0.047 4.273 4.320 -0.000 0.000 0.213 304 A C 2.363 179.917 177.584 -0.051 0.000 1.274 304 A CA 2.157 54.161 52.037 -0.055 0.000 0.608 304 A CB -1.460 17.512 19.000 -0.047 0.000 0.920 304 A HN 0.441 nan 8.150 nan 0.000 0.465 305 E N 0.933 121.106 120.200 -0.046 0.000 2.108 305 E HA -0.382 3.968 4.350 -0.000 0.000 0.203 305 E C 1.507 178.074 176.600 -0.055 0.000 1.022 305 E CA 2.568 58.943 56.400 -0.041 0.000 0.823 305 E CB -1.575 28.104 29.700 -0.034 0.000 0.744 305 E HN 0.905 nan 8.360 nan 0.000 0.456 306 N N -0.018 118.640 118.700 -0.069 0.000 2.106 306 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 306 N C 1.837 177.277 175.510 -0.117 0.000 1.029 306 N CA 1.573 54.566 53.050 -0.095 0.000 0.848 306 N CB -0.553 37.877 38.487 -0.096 0.000 1.007 306 N HN 0.460 nan 8.380 nan 0.000 0.423 307 R N -0.142 120.302 120.500 -0.093 0.000 2.316 307 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 307 R C 1.385 177.633 176.300 -0.087 0.000 1.137 307 R CA 1.234 57.282 56.100 -0.086 0.000 1.012 307 R CB -0.013 30.254 30.300 -0.055 0.000 0.859 307 R HN 0.382 nan 8.270 nan 0.000 0.474 308 E N -0.458 119.693 120.200 -0.081 0.000 2.290 308 E HA -0.016 4.334 4.350 -0.000 0.000 0.199 308 E C 1.475 178.029 176.600 -0.077 0.000 0.912 308 E CA 0.405 56.767 56.400 -0.064 0.000 0.924 308 E CB -0.148 29.532 29.700 -0.034 0.000 0.901 308 E HN 0.314 nan 8.360 nan 0.000 0.487 309 I N 0.270 120.786 120.570 -0.089 0.000 2.454 309 I HA -0.105 4.065 4.170 -0.000 0.000 0.254 309 I C 1.438 177.419 176.117 -0.226 0.000 1.156 309 I CA 1.253 62.515 61.300 -0.064 0.000 1.433 309 I CB -0.007 37.978 38.000 -0.026 0.000 1.082 309 I HN 0.138 nan 8.210 nan 0.000 0.432 310 L N 0.180 121.118 121.223 -0.475 0.000 2.622 310 L HA -0.033 4.307 4.340 -0.000 0.000 0.233 310 L C 2.113 178.653 176.870 -0.549 0.000 1.156 310 L CA 0.741 54.958 54.840 -1.038 0.000 0.866 310 L CB -0.500 41.144 42.059 -0.692 0.000 0.980 310 L HN 0.228 nan 8.230 nan 0.000 0.448 311 K N -0.120 120.168 120.400 -0.186 0.000 2.353 311 K HA 0.107 4.427 4.320 -0.000 0.000 0.195 311 K C 0.010 176.661 176.600 0.085 0.000 1.031 311 K CA 0.072 56.344 56.287 -0.024 0.000 1.079 311 K CB 0.554 33.040 32.500 -0.023 0.000 0.857 311 K HN 0.218 nan 8.250 nan 0.000 0.535 312 E N 3.204 123.496 120.200 0.153 0.000 2.035 312 E HA 0.136 4.486 4.350 -0.000 0.000 0.271 312 E C -2.455 174.279 176.600 0.222 0.000 0.953 312 E CA -2.156 54.342 56.400 0.163 0.000 0.777 312 E CB 0.980 30.754 29.700 0.124 0.000 1.104 312 E HN 0.131 nan 8.360 nan 0.000 0.408 313 P HA -0.155 nan 4.420 nan 0.000 0.259 313 P C 0.084 177.274 177.300 -0.182 0.000 1.155 313 P CA 0.318 63.397 63.100 -0.035 0.000 0.759 313 P CB 0.643 32.299 31.700 -0.075 0.000 0.753 314 V N 5.502 125.208 119.914 -0.346 0.000 2.637 314 V HA 0.095 4.215 4.120 -0.000 0.000 0.296 314 V C 0.191 176.102 176.094 -0.304 0.000 1.046 314 V CA -0.002 62.090 62.300 -0.347 0.000 1.066 314 V CB -0.055 31.470 31.823 -0.496 0.000 0.968 314 V HN 0.572 nan 8.190 nan 0.000 0.483 315 H N 4.095 123.104 119.070 -0.102 0.000 2.529 315 H HA 0.628 5.184 4.556 -0.000 0.000 0.348 315 H C 0.727 176.001 175.328 -0.091 0.000 1.152 315 H CA 0.271 56.279 56.048 -0.068 0.000 1.202 315 H CB 1.968 31.715 29.762 -0.025 0.000 1.562 315 H HN 0.935 nan 8.280 nan 0.000 0.515 316 G N 1.770 110.607 108.800 0.063 0.000 2.321 316 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.174 316 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.174 316 G C -0.776 173.897 174.900 -0.379 0.000 1.008 316 G CA 0.032 45.090 45.100 -0.071 0.000 0.739 316 G HN 0.470 nan 8.290 nan 0.000 0.502 317 V N 1.560 121.306 119.914 -0.280 0.000 2.384 317 V HA 0.748 4.868 4.120 -0.000 0.000 0.287 317 V C -0.405 175.616 176.094 -0.123 0.000 1.020 317 V CA -1.162 60.882 62.300 -0.427 0.000 0.850 317 V CB 0.612 32.329 31.823 -0.177 0.000 0.987 317 V HN 0.540 nan 8.190 nan 0.000 0.436 318 Y N 3.423 123.807 120.300 0.141 0.000 2.346 318 Y HA 0.680 5.230 4.550 -0.000 0.000 0.332 318 Y C -0.683 175.334 175.900 0.195 0.000 0.985 318 Y CA -2.747 55.451 58.100 0.163 0.000 1.112 318 Y CB 0.155 38.676 38.460 0.102 0.000 1.170 318 Y HN 0.668 nan 8.280 nan 0.000 0.447 319 Y N 2.915 123.421 120.300 0.344 0.000 2.546 319 Y HA 0.341 4.891 4.550 -0.000 0.000 0.351 319 Y C -0.244 175.752 175.900 0.160 0.000 1.266 319 Y CA 0.327 58.572 58.100 0.242 0.000 1.487 319 Y CB 0.726 39.400 38.460 0.358 0.000 1.365 319 Y HN 0.815 nan 8.280 nan 0.000 0.642 320 D N 5.354 125.238 120.400 -0.859 0.000 2.375 320 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 320 D C -2.436 173.239 176.300 -1.042 0.000 1.361 320 D CA -2.011 51.569 54.000 -0.700 0.000 0.995 320 D CB 1.733 42.336 40.800 -0.329 0.000 1.312 320 D HN 0.235 nan 8.370 nan 0.000 0.576 321 P HA -0.187 nan 4.420 nan 0.000 0.217 321 P C 1.446 178.606 177.300 -0.233 0.000 1.148 321 P CA 1.473 64.307 63.100 -0.444 0.000 0.834 321 P CB 0.244 31.883 31.700 -0.100 0.000 0.783 322 S N -1.317 114.255 115.700 -0.213 0.000 2.368 322 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 322 S C 1.002 175.530 174.600 -0.120 0.000 1.030 322 S CA 0.831 58.956 58.200 -0.125 0.000 0.999 322 S CB -0.886 62.250 63.200 -0.106 0.000 0.844 322 S HN 0.123 nan 8.310 nan 0.000 0.459 323 K N 1.686 121.986 120.400 -0.167 0.000 2.258 323 K HA 0.281 4.601 4.320 -0.000 0.000 0.264 323 K C -0.898 175.633 176.600 -0.115 0.000 1.007 323 K CA -0.309 55.904 56.287 -0.124 0.000 0.941 323 K CB 0.279 32.711 32.500 -0.113 0.000 0.966 323 K HN 0.158 nan 8.250 nan 0.000 0.480 324 D N 1.535 121.880 120.400 -0.092 0.000 2.256 324 D HA 0.181 4.821 4.640 -0.000 0.000 0.250 324 D C -0.627 175.576 176.300 -0.162 0.000 1.093 324 D CA -0.296 53.640 54.000 -0.107 0.000 0.882 324 D CB 0.669 41.415 40.800 -0.091 0.000 1.185 324 D HN 0.204 nan 8.370 nan 0.000 0.437 325 L N 3.625 124.710 121.223 -0.230 0.000 2.371 325 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 325 L C -0.069 176.549 176.870 -0.420 0.000 1.124 325 L CA -0.299 54.323 54.840 -0.363 0.000 0.816 325 L CB 0.713 42.466 42.059 -0.509 0.000 1.129 325 L HN 0.334 nan 8.230 nan 0.000 0.448 326 I N 2.690 122.921 120.570 -0.565 0.000 2.468 326 I HA 0.446 4.616 4.170 -0.000 0.000 0.285 326 I C -0.254 175.370 176.117 -0.823 0.000 1.039 326 I CA -0.341 60.550 61.300 -0.682 0.000 1.074 326 I CB 1.828 39.392 38.000 -0.727 0.000 1.228 326 I HN 0.597 nan 8.210 nan 0.000 0.436 327 A N 5.959 128.385 122.820 -0.657 0.000 2.312 327 A HA 0.769 5.089 4.320 -0.000 0.000 0.326 327 A C -0.474 176.986 177.584 -0.207 0.000 1.172 327 A CA -0.414 51.349 52.037 -0.458 0.000 0.821 327 A CB 0.937 19.568 19.000 -0.615 0.000 1.166 327 A HN 0.732 nan 8.150 nan 0.000 0.493 328 E N 0.731 120.911 120.200 -0.035 0.000 2.277 328 E HA 0.675 5.025 4.350 -0.000 0.000 0.266 328 E C -1.396 175.270 176.600 0.110 0.000 0.901 328 E CA -0.495 55.940 56.400 0.058 0.000 0.782 328 E CB 2.382 32.129 29.700 0.079 0.000 1.228 328 E HN 0.590 nan 8.360 nan 0.000 0.424 329 I N 2.132 122.780 120.570 0.129 0.000 2.619 329 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 329 I C -1.025 175.202 176.117 0.184 0.000 1.100 329 I CA -0.987 60.425 61.300 0.187 0.000 1.043 329 I CB 1.922 40.045 38.000 0.205 0.000 1.239 329 I HN 0.254 nan 8.210 nan 0.000 0.420 330 Q N 5.251 125.155 119.800 0.173 0.000 2.337 330 Q HA 0.414 4.754 4.340 -0.000 0.000 0.266 330 Q C -0.812 175.181 176.000 -0.013 0.000 1.023 330 Q CA -0.901 54.948 55.803 0.077 0.000 0.829 330 Q CB 2.417 31.159 28.738 0.006 0.000 1.306 330 Q HN 0.492 nan 8.270 nan 0.000 0.449 331 K N 1.383 121.629 120.400 -0.256 0.000 2.276 331 K HA 0.110 4.430 4.320 -0.000 0.000 0.283 331 K C -0.080 176.153 176.600 -0.611 0.000 1.044 331 K CA 0.141 55.865 56.287 -0.937 0.000 0.944 331 K CB 0.690 32.569 32.500 -1.035 0.000 1.012 331 K HN 0.516 nan 8.250 nan 0.000 0.472 332 Q N 2.115 121.491 119.800 -0.707 0.000 2.185 332 Q HA 0.241 4.580 4.340 -0.000 0.000 0.234 332 Q C -0.442 175.291 176.000 -0.446 0.000 0.819 332 Q CA 0.634 56.117 55.803 -0.532 0.000 0.961 332 Q CB 1.179 29.568 28.738 -0.582 0.000 1.140 332 Q HN 1.029 nan 8.270 nan 0.000 0.492 333 G N -0.863 107.663 108.800 -0.456 0.000 2.662 333 G HA2 0.235 4.195 3.960 -0.000 0.000 0.686 333 G HA3 0.235 4.195 3.960 -0.000 0.000 0.686 333 G C -0.346 174.436 174.900 -0.197 0.000 1.271 333 G CA 0.112 45.044 45.100 -0.279 0.000 0.816 333 G HN 0.849 nan 8.290 nan 0.000 0.608 334 Q N -1.308 118.430 119.800 -0.102 0.000 2.443 334 Q HA 0.326 4.666 4.340 -0.000 0.000 0.337 334 Q C 2.360 178.355 176.000 -0.008 0.000 1.401 334 Q CA 1.941 57.720 55.803 -0.039 0.000 0.943 334 Q CB -2.096 26.626 28.738 -0.026 0.000 1.177 334 Q HN 3.019 nan 8.270 nan 0.000 0.394 335 G N -0.618 108.202 108.800 0.033 0.000 2.420 335 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.305 335 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.305 335 G C 0.281 175.326 174.900 0.241 0.000 0.971 335 G CA 1.390 46.610 45.100 0.200 0.000 0.843 335 G HN 2.175 nan 8.290 nan 0.000 0.512 336 Q N -0.988 118.803 119.800 -0.014 0.000 2.307 336 Q HA 0.595 4.935 4.340 -0.000 0.000 0.262 336 Q C -1.203 174.700 176.000 -0.161 0.000 0.961 336 Q CA -1.308 54.512 55.803 0.030 0.000 0.882 336 Q CB 1.140 29.851 28.738 -0.046 0.000 1.264 336 Q HN 0.284 nan 8.270 nan 0.000 0.446 337 W N 2.683 124.056 121.300 0.122 0.000 2.587 337 W HA 0.298 4.958 4.660 -0.000 0.000 0.324 337 W C -0.100 176.532 176.519 0.187 0.000 1.008 337 W CA -0.546 56.877 57.345 0.131 0.000 1.265 337 W CB 1.910 31.471 29.460 0.167 0.000 1.328 337 W HN 0.723 nan 8.180 nan 0.000 0.432 338 T N 0.239 114.963 114.554 0.283 0.000 2.788 338 T HA 0.759 5.109 4.350 -0.000 0.000 0.280 338 T C -0.820 174.074 174.700 0.323 0.000 0.984 338 T CA -0.057 62.190 62.100 0.246 0.000 0.972 338 T CB 1.393 70.320 68.868 0.098 0.000 1.039 338 T HN 0.577 nan 8.240 nan 0.000 0.530 339 Y N -1.671 118.616 120.300 -0.021 0.000 2.638 339 Y HA 0.626 5.176 4.550 -0.000 0.000 0.334 339 Y C -2.005 173.815 175.900 -0.133 0.000 1.182 339 Y CA -1.384 56.678 58.100 -0.063 0.000 1.102 339 Y CB 0.880 39.367 38.460 0.046 0.000 1.343 339 Y HN 0.726 nan 8.280 nan 0.000 0.463 340 Q N 3.240 123.045 119.800 0.007 0.000 2.315 340 Q HA 0.663 5.003 4.340 -0.000 0.000 0.273 340 Q C -1.574 174.468 176.000 0.070 0.000 1.053 340 Q CA -0.751 55.024 55.803 -0.046 0.000 0.817 340 Q CB 3.080 31.712 28.738 -0.177 0.000 1.326 340 Q HN 0.645 nan 8.270 nan 0.000 0.423 341 I N 3.224 123.846 120.570 0.087 0.000 2.362 341 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 341 I C -0.702 175.420 176.117 0.008 0.000 0.994 341 I CA -0.930 60.343 61.300 -0.045 0.000 1.158 341 I CB -0.018 37.986 38.000 0.006 0.000 1.315 341 I HN 0.694 nan 8.210 nan 0.000 0.451 342 Y N 3.989 124.257 120.300 -0.053 0.000 2.669 342 Y HA 0.612 5.162 4.550 -0.000 0.000 0.335 342 Y C 0.235 176.100 175.900 -0.058 0.000 1.116 342 Y CA -0.905 57.187 58.100 -0.014 0.000 1.081 342 Y CB 1.350 39.846 38.460 0.061 0.000 1.297 342 Y HN 0.466 nan 8.280 nan 0.000 0.484 343 Q N -0.579 119.399 119.800 0.298 0.000 2.534 343 Q HA 0.211 4.551 4.340 -0.000 0.000 0.252 343 Q C -0.749 175.430 176.000 0.298 0.000 0.850 343 Q CA 0.283 56.189 55.803 0.171 0.000 0.974 343 Q CB 1.073 29.865 28.738 0.089 0.000 1.205 343 Q HN 0.690 nan 8.270 nan 0.000 0.593 344 E N 1.355 121.727 120.200 0.285 0.000 2.244 344 E HA 0.273 4.623 4.350 -0.000 0.000 0.260 344 E C -2.697 173.908 176.600 0.009 0.000 0.884 344 E CA -2.503 53.981 56.400 0.139 0.000 0.777 344 E CB 1.482 31.245 29.700 0.105 0.000 1.197 344 E HN -0.162 nan 8.360 nan 0.000 0.416 345 P HA -0.189 nan 4.420 nan 0.000 0.259 345 P C -0.344 176.993 177.300 0.062 0.000 1.120 345 P CA 0.874 63.844 63.100 -0.217 0.000 0.759 345 P CB 0.014 31.523 31.700 -0.318 0.000 0.704 346 F N 0.299 120.119 119.950 -0.217 0.000 2.825 346 F HA -0.258 4.269 4.527 -0.000 0.000 0.358 346 F C 0.786 176.542 175.800 -0.073 0.000 0.639 346 F CA 0.673 58.629 58.000 -0.073 0.000 1.153 346 F CB -2.378 36.572 39.000 -0.083 0.000 1.610 346 F HN 0.366 nan 8.300 nan 0.000 0.305 347 K N 1.414 121.880 120.400 0.110 0.000 2.360 347 K HA 0.313 4.633 4.320 -0.000 0.000 0.235 347 K C -0.112 176.551 176.600 0.104 0.000 1.077 347 K CA -0.495 55.809 56.287 0.029 0.000 1.035 347 K CB 0.290 32.763 32.500 -0.045 0.000 1.623 347 K HN -0.002 nan 8.250 nan 0.000 0.462 348 N N 2.430 121.209 118.700 0.131 0.000 2.442 348 N HA 0.070 4.810 4.740 -0.000 0.000 0.265 348 N C 1.055 176.655 175.510 0.151 0.000 1.138 348 N CA -0.028 53.139 53.050 0.196 0.000 0.956 348 N CB 0.790 39.417 38.487 0.232 0.000 1.067 348 N HN 0.310 nan 8.380 nan 0.000 0.474 349 L N 1.061 122.401 121.223 0.196 0.000 2.127 349 L HA 0.085 4.425 4.340 -0.000 0.000 0.203 349 L C 0.819 177.841 176.870 0.253 0.000 1.080 349 L CA 0.851 55.839 54.840 0.247 0.000 0.768 349 L CB -0.056 42.218 42.059 0.357 0.000 0.924 349 L HN 0.496 nan 8.230 nan 0.000 0.444 350 K N 0.329 120.870 120.400 0.235 0.000 2.535 350 K HA 0.296 4.616 4.320 -0.000 0.000 0.251 350 K C -1.068 175.559 176.600 0.044 0.000 0.942 350 K CA -0.417 55.964 56.287 0.157 0.000 0.798 350 K CB 1.996 34.629 32.500 0.222 0.000 1.267 350 K HN -0.058 nan 8.250 nan 0.000 0.434 351 T N 0.835 115.356 114.554 -0.055 0.000 2.965 351 T HA 0.669 5.019 4.350 -0.000 0.000 0.306 351 T C -0.095 174.392 174.700 -0.355 0.000 0.991 351 T CA -0.384 61.590 62.100 -0.211 0.000 1.001 351 T CB 1.329 70.204 68.868 0.011 0.000 0.984 351 T HN 0.630 nan 8.240 nan 0.000 0.446 352 G N 1.962 110.206 108.800 -0.926 0.000 3.234 352 G HA2 0.762 4.722 3.960 -0.000 0.000 0.159 352 G HA3 0.762 4.722 3.960 -0.000 0.000 0.159 352 G C -1.029 173.665 174.900 -0.343 0.000 1.175 352 G CA -1.151 43.551 45.100 -0.663 0.000 0.900 352 G HN 0.708 nan 8.290 nan 0.000 0.621 353 K N -0.019 120.442 120.400 0.100 0.000 2.911 353 K HA 0.079 4.399 4.320 -0.000 0.000 0.239 353 K C -1.699 175.158 176.600 0.429 0.000 1.371 353 K CA -0.481 55.999 56.287 0.321 0.000 0.872 353 K CB 1.178 33.803 32.500 0.208 0.000 1.322 353 K HN 0.500 nan 8.250 nan 0.000 0.527 354 Y N 2.056 122.602 120.300 0.410 0.000 2.632 354 Y HA 0.270 4.820 4.550 -0.000 0.000 0.329 354 Y C -0.355 175.696 175.900 0.252 0.000 1.174 354 Y CA 0.005 58.256 58.100 0.252 0.000 1.469 354 Y CB 0.463 38.994 38.460 0.118 0.000 1.242 354 Y HN 0.498 nan 8.280 nan 0.000 0.540 355 A N 6.321 128.965 122.820 -0.293 0.000 2.423 355 A HA 0.798 5.118 4.320 -0.000 0.000 0.304 355 A C -0.224 177.058 177.584 -0.503 0.000 1.104 355 A CA -0.892 51.041 52.037 -0.173 0.000 0.757 355 A CB 1.909 20.901 19.000 -0.013 0.000 1.313 355 A HN 0.791 nan 8.150 nan 0.000 0.423 356 R N 0.252 120.643 120.500 -0.182 0.000 3.069 356 R HA 0.594 4.934 4.340 -0.000 0.000 0.141 356 R C 0.710 176.988 176.300 -0.037 0.000 1.845 356 R CA 0.836 56.848 56.100 -0.146 0.000 1.419 356 R CB -0.196 30.109 30.300 0.007 0.000 1.346 356 R HN 0.703 nan 8.270 nan 0.000 0.467 357 M N -1.575 118.040 119.600 0.024 0.000 2.318 357 M HA 0.514 4.994 4.480 -0.000 0.000 0.217 357 M C 0.569 176.889 176.300 0.034 0.000 0.779 357 M CA 1.036 56.351 55.300 0.024 0.000 1.850 357 M CB 0.907 33.524 32.600 0.028 0.000 1.135 357 M HN 0.158 nan 8.290 nan 0.000 0.903 358 R N -0.830 119.689 120.500 0.032 0.000 2.570 358 R HA 0.537 4.877 4.340 -0.000 0.000 0.203 358 R C 0.573 176.885 176.300 0.021 0.000 0.968 358 R CA 0.585 56.699 56.100 0.024 0.000 1.514 358 R CB -0.360 29.949 30.300 0.014 0.000 1.719 358 R HN 1.284 nan 8.270 nan 0.000 0.503 359 G N -0.418 108.395 108.800 0.022 0.000 4.152 359 G HA2 0.575 4.535 3.960 -0.000 0.000 0.232 359 G HA3 0.575 4.535 3.960 -0.000 0.000 0.232 359 G C 0.234 175.142 174.900 0.013 0.000 3.663 359 G CA 0.531 45.641 45.100 0.016 0.000 0.661 359 G HN 1.081 nan 8.290 nan 0.000 0.251 360 A N -0.045 122.785 122.820 0.016 0.000 3.750 360 A HA 0.754 5.074 4.320 -0.000 0.000 0.188 360 A C 1.606 179.195 177.584 0.009 0.000 1.870 360 A CA 1.584 53.627 52.037 0.011 0.000 1.748 360 A CB -0.428 18.580 19.000 0.012 0.000 1.266 360 A HN 1.540 nan 8.150 nan 0.000 0.382 361 H N -1.717 117.359 119.070 0.011 0.000 2.654 361 H HA 0.571 5.127 4.556 -0.000 0.000 0.264 361 H C 1.255 176.594 175.328 0.018 0.000 0.954 361 H CA 1.477 57.531 56.048 0.010 0.000 1.199 361 H CB -1.253 28.514 29.762 0.008 0.000 1.446 361 H HN 1.062 nan 8.280 nan 0.000 0.516 362 T N 0.905 115.472 114.554 0.022 0.000 2.734 362 T HA 0.430 4.780 4.350 -0.000 0.000 0.314 362 T C 0.521 175.225 174.700 0.005 0.000 1.057 362 T CA 0.567 62.676 62.100 0.016 0.000 1.047 362 T CB -0.070 68.816 68.868 0.030 0.000 0.991 362 T HN 0.970 nan 8.240 nan 0.000 0.540 363 N N -1.001 117.681 118.700 -0.031 0.000 2.591 363 N HA 0.308 5.048 4.740 -0.000 0.000 0.263 363 N C -0.125 175.368 175.510 -0.029 0.000 1.308 363 N CA -0.454 52.580 53.050 -0.027 0.000 0.837 363 N CB 1.099 39.550 38.487 -0.059 0.000 1.548 363 N HN 0.358 nan 8.380 nan 0.000 0.493 364 D N 0.243 120.683 120.400 0.067 0.000 2.192 364 D HA -0.201 4.439 4.640 -0.000 0.000 0.189 364 D C 1.469 177.785 176.300 0.027 0.000 1.007 364 D CA 1.880 56.000 54.000 0.201 0.000 0.859 364 D CB -0.134 40.800 40.800 0.222 0.000 0.936 364 D HN 0.348 nan 8.370 nan 0.000 0.447 365 V N 0.488 120.354 119.914 -0.080 0.000 2.231 365 V HA -0.303 3.817 4.120 -0.000 0.000 0.239 365 V C 2.375 178.228 176.094 -0.402 0.000 1.035 365 V CA 2.114 64.326 62.300 -0.147 0.000 0.989 365 V CB -0.630 31.115 31.823 -0.130 0.000 0.636 365 V HN 0.265 nan 8.190 nan 0.000 0.457 366 K N -0.461 119.435 120.400 -0.841 0.000 2.159 366 K HA -0.388 3.932 4.320 -0.000 0.000 0.217 366 K C 2.055 178.293 176.600 -0.603 0.000 1.048 366 K CA 2.791 58.337 56.287 -1.236 0.000 0.941 366 K CB -0.304 31.340 32.500 -1.426 0.000 0.738 366 K HN 0.723 nan 8.250 nan 0.000 0.469 367 Q N 0.163 119.705 119.800 -0.431 0.000 1.990 367 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 367 Q C 2.364 177.875 176.000 -0.814 0.000 0.980 367 Q CA 1.331 56.892 55.803 -0.404 0.000 0.832 367 Q CB -0.431 28.201 28.738 -0.176 0.000 0.897 367 Q HN 0.350 nan 8.270 nan 0.000 0.427 368 L N 1.780 122.397 121.223 -1.010 0.000 1.978 368 L HA -0.221 4.119 4.340 -0.000 0.000 0.218 368 L C 2.564 179.148 176.870 -0.478 0.000 1.075 368 L CA 2.794 57.039 54.840 -0.992 0.000 0.767 368 L CB -1.280 40.425 42.059 -0.590 0.000 0.890 368 L HN 0.413 nan 8.230 nan 0.000 0.434 369 T N -2.660 111.790 114.554 -0.172 0.000 3.025 369 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 369 T C 1.674 176.272 174.700 -0.170 0.000 1.126 369 T CA 1.682 63.825 62.100 0.072 0.000 1.105 369 T CB -0.309 68.527 68.868 -0.054 0.000 0.884 369 T HN 0.625 nan 8.240 nan 0.000 0.522 370 E N -0.324 119.624 120.200 -0.420 0.000 2.099 370 E HA 0.313 4.663 4.350 -0.000 0.000 0.191 370 E C 2.555 178.680 176.600 -0.792 0.000 0.962 370 E CA 0.542 56.657 56.400 -0.476 0.000 0.826 370 E CB -0.204 29.285 29.700 -0.352 0.000 0.788 370 E HN 0.560 nan 8.360 nan 0.000 0.461 371 A N 0.869 122.937 122.820 -1.253 0.000 1.917 371 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 371 A C 2.354 179.578 177.584 -0.600 0.000 1.182 371 A CA 1.530 52.845 52.037 -1.204 0.000 0.633 371 A CB -0.834 17.598 19.000 -0.946 0.000 0.819 371 A HN 0.154 nan 8.150 nan 0.000 0.448 372 V N -0.499 119.117 119.914 -0.496 0.000 2.220 372 V HA -0.391 3.729 4.120 -0.000 0.000 0.246 372 V C 2.615 178.594 176.094 -0.192 0.000 1.049 372 V CA 2.449 64.463 62.300 -0.477 0.000 1.003 372 V CB -1.213 30.312 31.823 -0.496 0.000 0.634 372 V HN 0.664 nan 8.190 nan 0.000 0.444 373 Q N -0.468 119.258 119.800 -0.124 0.000 2.118 373 Q HA -0.269 4.071 4.340 -0.000 0.000 0.211 373 Q C 2.435 178.491 176.000 0.092 0.000 0.998 373 Q CA 2.000 57.800 55.803 -0.004 0.000 0.872 373 Q CB -0.164 28.374 28.738 -0.333 0.000 0.925 373 Q HN 0.470 nan 8.270 nan 0.000 0.414 374 K N 0.300 120.665 120.400 -0.057 0.000 1.969 374 K HA -0.168 4.152 4.320 -0.000 0.000 0.216 374 K C 2.073 178.668 176.600 -0.009 0.000 1.048 374 K CA 1.590 57.891 56.287 0.023 0.000 0.948 374 K CB -0.684 31.822 32.500 0.008 0.000 0.726 374 K HN 0.309 nan 8.250 nan 0.000 0.442 375 I N 1.178 121.654 120.570 -0.155 0.000 2.185 375 I HA -0.337 3.832 4.170 -0.000 0.000 0.246 375 I C 2.291 178.441 176.117 0.054 0.000 1.088 375 I CA 1.624 62.833 61.300 -0.153 0.000 1.347 375 I CB -0.942 36.911 38.000 -0.245 0.000 1.041 375 I HN 0.205 nan 8.210 nan 0.000 0.415 376 T N 0.134 114.806 114.554 0.197 0.000 2.652 376 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 376 T C 1.945 176.573 174.700 -0.119 0.000 1.039 376 T CA 2.220 64.373 62.100 0.088 0.000 1.153 376 T CB -0.474 68.453 68.868 0.098 0.000 0.863 376 T HN 0.392 nan 8.240 nan 0.000 0.428 377 T N 1.999 116.582 114.554 0.049 0.000 2.622 377 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 377 T C 1.953 176.677 174.700 0.039 0.000 1.047 377 T CA 1.537 63.716 62.100 0.132 0.000 1.159 377 T CB -0.445 68.656 68.868 0.389 0.000 0.863 377 T HN 0.537 nan 8.240 nan 0.000 0.422 378 E N 0.686 120.854 120.200 -0.053 0.000 2.108 378 E HA -0.203 4.147 4.350 -0.000 0.000 0.203 378 E C 2.466 178.969 176.600 -0.162 0.000 1.022 378 E CA 1.465 57.684 56.400 -0.301 0.000 0.823 378 E CB -0.304 29.021 29.700 -0.624 0.000 0.744 378 E HN 0.316 nan 8.360 nan 0.000 0.456 379 S N 0.455 116.132 115.700 -0.038 0.000 2.353 379 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 379 S C 1.987 176.609 174.600 0.038 0.000 1.035 379 S CA 1.119 59.431 58.200 0.186 0.000 1.025 379 S CB -0.241 63.044 63.200 0.142 0.000 0.902 379 S HN 0.209 nan 8.310 nan 0.000 0.440 380 I N 0.852 121.307 120.570 -0.192 0.000 2.335 380 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 380 I C 2.173 178.130 176.117 -0.267 0.000 1.129 380 I CA 0.688 61.750 61.300 -0.397 0.000 1.402 380 I CB -0.462 37.090 38.000 -0.746 0.000 1.069 380 I HN 0.219 nan 8.210 nan 0.000 0.424 381 V N 1.360 121.186 119.914 -0.147 0.000 2.231 381 V HA -0.236 3.884 4.120 -0.000 0.000 0.240 381 V C 2.324 178.410 176.094 -0.014 0.000 1.039 381 V CA 1.757 64.057 62.300 -0.001 0.000 0.998 381 V CB -0.289 31.656 31.823 0.204 0.000 0.639 381 V HN 0.234 nan 8.190 nan 0.000 0.451 382 I N -0.518 119.926 120.570 -0.209 0.000 2.065 382 I HA -0.326 3.844 4.170 -0.000 0.000 0.236 382 I C 1.991 177.776 176.117 -0.554 0.000 1.028 382 I CA 2.291 63.245 61.300 -0.577 0.000 1.299 382 I CB -0.453 36.719 38.000 -1.381 0.000 1.015 382 I HN 0.446 nan 8.210 nan 0.000 0.396 383 W N 0.634 121.783 121.300 -0.252 0.000 3.102 383 W HA 0.422 5.082 4.660 -0.000 0.000 0.401 383 W C 1.230 177.359 176.519 -0.650 0.000 1.070 383 W CA 0.215 57.265 57.345 -0.491 0.000 1.921 383 W CB -0.468 28.433 29.460 -0.932 0.000 1.118 383 W HN 0.441 nan 8.180 nan 0.000 0.647 384 G N 3.003 111.414 108.800 -0.648 0.000 2.283 384 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.280 384 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.280 384 G C 0.068 174.913 174.900 -0.090 0.000 1.029 384 G CA 1.187 45.893 45.100 -0.656 0.000 0.840 384 G HN 0.454 nan 8.290 nan 0.000 0.505 385 K N -1.826 118.518 120.400 -0.094 0.000 2.610 385 K HA 0.582 4.902 4.320 -0.000 0.000 0.278 385 K C -0.161 176.370 176.600 -0.116 0.000 0.964 385 K CA -0.358 55.926 56.287 -0.005 0.000 0.859 385 K CB 0.418 32.989 32.500 0.117 0.000 1.434 385 K HN 0.521 nan 8.250 nan 0.000 0.410 386 T N 0.810 115.289 114.554 -0.125 0.000 2.907 386 T HA 0.397 4.747 4.350 -0.000 0.000 0.298 386 T C -1.743 172.863 174.700 -0.156 0.000 1.017 386 T CA -0.899 61.102 62.100 -0.164 0.000 1.118 386 T CB 0.614 69.415 68.868 -0.111 0.000 0.948 386 T HN 0.525 nan 8.240 nan 0.000 0.531 387 P HA 0.378 nan 4.420 nan 0.000 0.297 387 P C -0.942 176.095 177.300 -0.439 0.000 1.307 387 P CA -0.803 62.039 63.100 -0.429 0.000 0.773 387 P CB 0.834 32.153 31.700 -0.636 0.000 1.265 388 K N 0.876 120.991 120.400 -0.474 0.000 2.339 388 K HA 0.353 4.673 4.320 -0.000 0.000 0.264 388 K C -1.130 175.243 176.600 -0.379 0.000 0.986 388 K CA -0.737 55.367 56.287 -0.306 0.000 0.866 388 K CB -0.081 32.295 32.500 -0.207 0.000 1.103 388 K HN 0.293 nan 8.250 nan 0.000 0.441 389 F N 2.677 122.571 119.950 -0.093 0.000 2.396 389 F HA 0.316 4.843 4.527 -0.000 0.000 0.343 389 F C 1.162 176.875 175.800 -0.145 0.000 1.104 389 F CA -0.224 57.710 58.000 -0.109 0.000 1.161 389 F CB 1.001 39.947 39.000 -0.089 0.000 1.146 389 F HN 0.140 nan 8.300 nan 0.000 0.522 390 K N 5.194 125.624 120.400 0.050 0.000 2.432 390 K HA 0.360 4.680 4.320 -0.000 0.000 0.226 390 K C -1.034 175.581 176.600 0.025 0.000 1.057 390 K CA -0.271 56.017 56.287 0.002 0.000 1.034 390 K CB 0.597 33.114 32.500 0.029 0.000 1.561 390 K HN 0.524 nan 8.250 nan 0.000 0.492 391 L N 3.917 125.104 121.223 -0.060 0.000 2.367 391 L HA 0.207 4.547 4.340 -0.000 0.000 0.275 391 L C -1.589 175.315 176.870 0.056 0.000 1.129 391 L CA -1.772 53.016 54.840 -0.087 0.000 0.839 391 L CB 0.314 42.139 42.059 -0.390 0.000 1.133 391 L HN 0.232 nan 8.230 nan 0.000 0.453 392 P HA 0.198 nan 4.420 nan 0.000 0.218 392 P C -0.531 176.855 177.300 0.144 0.000 1.793 392 P CA 0.425 63.606 63.100 0.136 0.000 0.941 392 P CB 0.326 32.128 31.700 0.170 0.000 1.919 393 I N -0.654 119.990 120.570 0.123 0.000 2.918 393 I HA 0.214 4.384 4.170 -0.000 0.000 0.301 393 I C -0.905 175.184 176.117 -0.047 0.000 1.312 393 I CA -1.250 60.100 61.300 0.084 0.000 1.007 393 I CB 3.237 41.312 38.000 0.126 0.000 1.281 393 I HN -0.140 nan 8.210 nan 0.000 0.440 394 Q N 6.378 126.133 119.800 -0.075 0.000 2.263 394 Q HA 0.027 4.367 4.340 -0.000 0.000 0.270 394 Q C 1.002 176.725 176.000 -0.461 0.000 1.104 394 Q CA 0.360 56.052 55.803 -0.185 0.000 0.909 394 Q CB 1.008 29.710 28.738 -0.060 0.000 1.214 394 Q HN 0.698 nan 8.270 nan 0.000 0.400 395 K N 3.588 123.430 120.400 -0.931 0.000 2.037 395 K HA -0.379 3.941 4.320 -0.000 0.000 0.229 395 K C 1.039 177.346 176.600 -0.489 0.000 1.040 395 K CA 2.739 58.241 56.287 -1.308 0.000 0.981 395 K CB 0.021 32.227 32.500 -0.491 0.000 0.749 395 K HN 0.739 nan 8.250 nan 0.000 0.451 396 E N -0.224 119.854 120.200 -0.203 0.000 2.097 396 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 396 E C 2.053 178.605 176.600 -0.080 0.000 1.000 396 E CA 2.131 58.490 56.400 -0.069 0.000 0.804 396 E CB -0.552 29.136 29.700 -0.020 0.000 0.740 396 E HN 0.477 nan 8.360 nan 0.000 0.454 397 T N 0.464 114.988 114.554 -0.050 0.000 2.746 397 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 397 T C 1.327 176.090 174.700 0.105 0.000 1.039 397 T CA 1.204 63.343 62.100 0.064 0.000 1.142 397 T CB -0.404 68.562 68.868 0.165 0.000 0.866 397 T HN 0.402 nan 8.240 nan 0.000 0.444 398 W N 2.371 123.581 121.300 -0.151 0.000 2.355 398 W HA -0.110 4.550 4.660 -0.000 0.000 0.309 398 W C 1.757 178.249 176.519 -0.044 0.000 1.206 398 W CA 1.241 58.515 57.345 -0.117 0.000 1.284 398 W CB -0.182 29.102 29.460 -0.295 0.000 1.145 398 W HN 0.396 nan 8.180 nan 0.000 0.502 399 E N -0.451 119.763 120.200 0.024 0.000 2.267 399 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 399 E C 1.908 178.386 176.600 -0.203 0.000 0.998 399 E CA 1.711 58.086 56.400 -0.042 0.000 0.830 399 E CB -0.298 29.390 29.700 -0.020 0.000 0.751 399 E HN 0.212 nan 8.360 nan 0.000 0.491 400 T N -0.535 113.783 114.554 -0.394 0.000 3.009 400 T HA -0.047 4.303 4.350 -0.000 0.000 0.258 400 T C 1.121 175.226 174.700 -0.993 0.000 1.063 400 T CA 0.786 62.415 62.100 -0.784 0.000 1.139 400 T CB -0.066 68.104 68.868 -1.163 0.000 0.890 400 T HN 0.364 nan 8.240 nan 0.000 0.471 401 W N 0.429 121.585 121.300 -0.240 0.000 2.798 401 W HA 0.221 4.881 4.660 -0.000 0.000 0.260 401 W C 2.158 178.355 176.519 -0.537 0.000 1.165 401 W CA -0.813 56.348 57.345 -0.306 0.000 1.501 401 W CB -0.573 28.812 29.460 -0.125 0.000 1.023 401 W HN 0.217 nan 8.180 nan 0.000 0.615 402 W N 2.260 123.147 121.300 -0.689 0.000 2.256 402 W HA -0.360 4.300 4.660 -0.000 0.000 0.311 402 W C 1.722 177.942 176.519 -0.499 0.000 1.258 402 W CA 2.466 59.193 57.345 -1.031 0.000 1.269 402 W CB -2.049 26.103 29.460 -2.181 0.000 1.134 402 W HN 0.028 nan 8.180 nan 0.000 0.518 403 T N 0.880 114.223 114.554 -2.019 0.000 2.635 403 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 403 T C 1.692 176.002 174.700 -0.650 0.000 1.040 403 T CA 2.787 63.866 62.100 -1.702 0.000 1.156 403 T CB -0.370 67.696 68.868 -1.337 0.000 0.863 403 T HN 0.139 nan 8.240 nan 0.000 0.430 404 E N 1.165 121.117 120.200 -0.412 0.000 2.124 404 E HA -0.212 4.138 4.350 -0.000 0.000 0.244 404 E C 1.836 178.271 176.600 -0.275 0.000 1.019 404 E CA 2.312 58.526 56.400 -0.311 0.000 0.941 404 E CB -1.087 28.356 29.700 -0.429 0.000 0.851 404 E HN 0.849 nan 8.360 nan 0.000 0.537 405 Y N -0.922 119.301 120.300 -0.129 0.000 2.578 405 Y HA 0.023 4.573 4.550 -0.000 0.000 0.297 405 Y C 1.077 176.899 175.900 -0.131 0.000 1.176 405 Y CA -0.550 57.476 58.100 -0.123 0.000 1.315 405 Y CB -0.662 37.723 38.460 -0.126 0.000 1.031 405 Y HN 0.194 nan 8.280 nan 0.000 0.524 406 W N 3.077 124.300 121.300 -0.127 0.000 2.210 406 W HA 0.034 4.694 4.660 -0.000 0.000 0.330 406 W C 0.228 176.647 176.519 -0.166 0.000 1.334 406 W CA 0.526 57.779 57.345 -0.153 0.000 1.227 406 W CB 0.903 30.207 29.460 -0.260 0.000 1.178 406 W HN 0.292 nan 8.180 nan 0.000 0.560 407 Q N 3.553 122.758 119.800 -0.992 0.000 2.471 407 Q HA 0.138 4.478 4.340 -0.000 0.000 0.259 407 Q C 0.796 176.383 176.000 -0.689 0.000 0.850 407 Q CA -0.034 55.387 55.803 -0.636 0.000 0.981 407 Q CB 0.560 29.017 28.738 -0.469 0.000 1.180 407 Q HN 0.488 nan 8.270 nan 0.000 0.571 408 A N 1.480 123.643 122.820 -1.095 0.000 2.448 408 A HA 0.096 4.416 4.320 -0.000 0.000 0.239 408 A C 1.225 178.519 177.584 -0.483 0.000 1.080 408 A CA 0.738 52.172 52.037 -1.005 0.000 0.779 408 A CB 0.163 17.893 19.000 -2.116 0.000 1.026 408 A HN 0.356 nan 8.150 nan 0.000 0.499 409 T N -1.459 112.858 114.554 -0.395 0.000 3.129 409 T HA 0.111 4.461 4.350 -0.000 0.000 0.251 409 T C 0.362 175.176 174.700 0.190 0.000 1.117 409 T CA 0.211 62.305 62.100 -0.010 0.000 1.034 409 T CB -0.398 68.503 68.868 0.055 0.000 0.968 409 T HN 0.656 nan 8.240 nan 0.000 0.526 410 W N 0.525 122.075 121.300 0.417 0.000 2.578 410 W HA 0.747 5.407 4.660 -0.000 0.000 0.353 410 W C -1.511 175.327 176.519 0.532 0.000 1.088 410 W CA -2.035 55.565 57.345 0.425 0.000 1.235 410 W CB 0.568 30.274 29.460 0.410 0.000 1.362 410 W HN -0.171 nan 8.180 nan 0.000 0.592 411 I N 4.077 125.058 120.570 0.685 0.000 2.382 411 I HA 0.239 4.409 4.170 -0.000 0.000 0.285 411 I C -1.524 174.802 176.117 0.349 0.000 1.007 411 I CA -2.261 59.292 61.300 0.422 0.000 1.142 411 I CB 1.324 39.343 38.000 0.032 0.000 1.289 411 I HN 0.073 nan 8.210 nan 0.000 0.453 412 P HA 0.184 nan 4.420 nan 0.000 0.296 412 P C -0.587 176.669 177.300 -0.073 0.000 1.295 412 P CA -0.346 62.949 63.100 0.324 0.000 0.754 412 P CB 0.892 32.968 31.700 0.627 0.000 1.311 413 E N -1.259 118.908 120.200 -0.056 0.000 2.202 413 E HA 0.437 4.787 4.350 -0.000 0.000 0.272 413 E C -1.012 175.493 176.600 -0.158 0.000 0.951 413 E CA -0.382 55.823 56.400 -0.324 0.000 0.813 413 E CB 1.012 30.589 29.700 -0.204 0.000 1.151 413 E HN 0.428 nan 8.360 nan 0.000 0.398 414 W N 1.207 122.417 121.300 -0.150 0.000 3.062 414 W HA 0.525 5.185 4.660 -0.000 0.000 0.336 414 W C -1.085 175.126 176.519 -0.513 0.000 1.224 414 W CA -0.941 56.219 57.345 -0.308 0.000 1.159 414 W CB 0.330 29.509 29.460 -0.468 0.000 1.454 414 W HN 0.505 nan 8.180 nan 0.000 0.569 415 E N 0.361 120.361 120.200 -0.334 0.000 2.433 415 E HA 0.724 5.074 4.350 -0.000 0.000 0.278 415 E C -1.935 174.174 176.600 -0.819 0.000 0.976 415 E CA -0.999 55.059 56.400 -0.568 0.000 0.793 415 E CB 2.269 31.845 29.700 -0.206 0.000 1.311 415 E HN 0.277 nan 8.360 nan 0.000 0.460 416 F N 0.488 120.459 119.950 0.035 0.000 2.469 416 F HA 0.513 5.040 4.527 -0.000 0.000 0.332 416 F C -0.021 175.794 175.800 0.024 0.000 1.103 416 F CA -0.799 57.197 58.000 -0.008 0.000 0.979 416 F CB 1.856 40.847 39.000 -0.014 0.000 1.137 416 F HN 0.308 nan 8.300 nan 0.000 0.463 417 V N 0.387 120.409 119.914 0.180 0.000 3.177 417 V HA 0.508 4.627 4.120 -0.000 0.000 0.319 417 V C 0.063 176.228 176.094 0.118 0.000 1.125 417 V CA -0.977 61.401 62.300 0.129 0.000 1.029 417 V CB 1.540 33.425 31.823 0.102 0.000 1.119 417 V HN 0.736 nan 8.190 nan 0.000 0.452 418 N N 0.891 119.650 118.700 0.098 0.000 2.285 418 N HA 0.089 4.829 4.740 -0.000 0.000 0.278 418 N C 0.538 176.090 175.510 0.070 0.000 1.289 418 N CA 0.605 53.704 53.050 0.081 0.000 0.934 418 N CB 0.186 38.719 38.487 0.076 0.000 1.048 418 N HN 0.964 nan 8.380 nan 0.000 0.499 419 T N -1.029 113.558 114.554 0.056 0.000 3.629 419 T HA 0.429 4.779 4.350 -0.000 0.000 0.317 419 T C -2.553 172.169 174.700 0.036 0.000 1.690 419 T CA -1.683 60.442 62.100 0.040 0.000 1.276 419 T CB -0.301 68.585 68.868 0.030 0.000 1.205 419 T HN 0.250 nan 8.240 nan 0.000 0.824 420 P HA 0.025 nan 4.420 nan 0.000 0.256 420 P C -1.354 175.951 177.300 0.007 0.000 1.173 420 P CA -0.941 62.182 63.100 0.037 0.000 0.768 420 P CB 0.599 32.333 31.700 0.057 0.000 0.758 421 P HA -0.110 nan 4.420 nan 0.000 0.205 421 P C 0.936 178.202 177.300 -0.056 0.000 1.203 421 P CA 1.601 64.686 63.100 -0.025 0.000 0.926 421 P CB 0.197 31.886 31.700 -0.019 0.000 0.767 422 L N -1.175 119.985 121.223 -0.105 0.000 2.554 422 L HA 0.081 4.421 4.340 -0.000 0.000 0.225 422 L C 2.465 179.160 176.870 -0.292 0.000 1.104 422 L CA 0.053 54.791 54.840 -0.171 0.000 0.866 422 L CB -0.309 41.637 42.059 -0.188 0.000 1.047 422 L HN -0.244 nan 8.230 nan 0.000 0.468 423 V N 0.842 120.607 119.914 -0.248 0.000 2.867 423 V HA -0.274 3.846 4.120 -0.000 0.000 0.260 423 V C 2.978 179.069 176.094 -0.005 0.000 1.099 423 V CA 2.095 64.263 62.300 -0.220 0.000 1.122 423 V CB -1.194 30.642 31.823 0.022 0.000 0.708 423 V HN 0.592 nan 8.190 nan 0.000 0.490 424 K N 0.220 120.607 120.400 -0.022 0.000 2.283 424 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 424 K C 1.199 177.859 176.600 0.100 0.000 1.048 424 K CA 0.973 57.277 56.287 0.029 0.000 0.948 424 K CB -0.610 31.879 32.500 -0.019 0.000 0.742 424 K HN 0.585 nan 8.250 nan 0.000 0.458 425 L N 0.438 121.677 121.223 0.026 0.000 2.536 425 L HA 0.184 4.523 4.340 -0.000 0.000 0.242 425 L C 0.881 177.782 176.870 0.051 0.000 1.280 425 L CA -0.489 54.407 54.840 0.093 0.000 1.221 425 L CB 0.027 42.066 42.059 -0.033 0.000 1.449 425 L HN 0.502 nan 8.230 nan 0.000 0.405 426 W N 1.127 122.498 121.300 0.119 0.000 2.871 426 W HA 0.033 4.693 4.660 -0.000 0.000 0.267 426 W C 0.790 177.481 176.519 0.286 0.000 1.180 426 W CA 0.137 57.599 57.345 0.195 0.000 1.463 426 W CB 0.626 30.185 29.460 0.164 0.000 0.966 426 W HN 0.322 nan 8.180 nan 0.000 0.605 427 Y N 0.000 120.478 120.300 0.297 0.000 2.660 427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 427 Y CA 0.000 58.225 58.100 0.208 0.000 1.940 427 Y CB 0.000 38.547 38.460 0.145 0.000 1.050 427 Y HN 0.000 nan 8.280 nan 0.000 0.758