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 2ze2_1_B DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLXXXXXX XXXXXXFLWM 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 PLVKLWYQ 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 0.000 177.333 177.300 0.055 0.000 1.155 1 P CA 0.000 63.127 63.100 0.044 0.000 0.800 1 P CB 0.000 31.718 31.700 0.029 0.000 0.726 2 I N 0.213 120.835 120.570 0.086 0.000 2.771 2 I HA 0.659 4.830 4.170 0.002 0.000 0.291 2 I C -1.949 174.249 176.117 0.134 0.000 1.527 2 I CA 0.102 61.467 61.300 0.109 0.000 1.024 2 I CB 1.911 40.002 38.000 0.153 0.000 1.388 2 I HN 0.464 nan 8.210 nan 0.000 0.447 3 S N 6.253 122.028 115.700 0.126 0.000 2.579 3 S HA 0.633 5.104 4.470 0.002 0.000 0.290 3 S C -2.965 171.702 174.600 0.113 0.000 1.123 3 S CA -0.565 57.717 58.200 0.136 0.000 0.894 3 S CB 1.839 65.106 63.200 0.112 0.000 1.095 3 S HN 0.454 nan 8.310 nan 0.000 0.450 4 P HA 0.548 nan 4.420 nan 0.000 0.294 4 P C 0.298 177.646 177.300 0.080 0.000 1.294 4 P CA -0.656 62.500 63.100 0.094 0.000 0.827 4 P CB 0.619 32.382 31.700 0.104 0.000 0.992 5 I N -0.108 120.498 120.570 0.060 0.000 3.111 5 I HA -0.008 4.163 4.170 0.002 0.000 0.272 5 I C 0.958 177.105 176.117 0.050 0.000 1.268 5 I CA 0.799 62.130 61.300 0.051 0.000 1.467 5 I CB -0.073 37.950 38.000 0.039 0.000 1.087 5 I HN 0.409 nan 8.210 nan 0.000 0.467 6 E N 1.177 121.409 120.200 0.054 0.000 2.221 6 E HA 0.293 4.644 4.350 0.002 0.000 0.268 6 E C -0.380 176.258 176.600 0.064 0.000 0.933 6 E CA -0.614 55.817 56.400 0.051 0.000 0.809 6 E CB 1.267 30.992 29.700 0.043 0.000 1.190 6 E HN 0.045 nan 8.360 nan 0.000 0.406 7 T N 0.105 114.695 114.554 0.060 0.000 2.809 7 T HA 0.460 4.811 4.350 0.002 0.000 0.284 7 T C -0.421 174.314 174.700 0.059 0.000 0.992 7 T CA -0.881 61.261 62.100 0.070 0.000 0.957 7 T CB 0.713 69.624 68.868 0.072 0.000 0.942 7 T HN 0.223 nan 8.240 nan 0.000 0.439 8 V N 6.504 126.454 119.914 0.060 0.000 2.617 8 V HA 0.180 4.301 4.120 0.002 0.000 0.304 8 V C -1.465 174.649 176.094 0.035 0.000 1.040 8 V CA -1.106 61.220 62.300 0.042 0.000 1.149 8 V CB -0.135 31.709 31.823 0.036 0.000 0.914 8 V HN 0.826 nan 8.190 nan 0.000 0.487 9 P HA 0.111 nan 4.420 nan 0.000 0.263 9 P C -0.624 176.687 177.300 0.018 0.000 1.276 9 P CA 0.305 63.424 63.100 0.031 0.000 0.986 9 P CB 0.287 32.009 31.700 0.037 0.000 1.105 10 V N 4.807 124.715 119.914 -0.010 0.000 2.732 10 V HA 0.550 4.671 4.120 0.002 0.000 0.310 10 V C 0.459 176.537 176.094 -0.026 0.000 1.053 10 V CA -0.450 61.800 62.300 -0.084 0.000 0.957 10 V CB 2.046 33.693 31.823 -0.294 0.000 1.018 10 V HN 0.442 nan 8.190 nan 0.000 0.452 11 K N 2.177 122.589 120.400 0.020 0.000 2.578 11 K HA 0.586 4.907 4.320 0.002 0.000 0.287 11 K C -1.173 175.568 176.600 0.235 0.000 1.010 11 K CA -0.908 55.495 56.287 0.193 0.000 0.889 11 K CB 2.230 34.826 32.500 0.160 0.000 1.514 11 K HN 0.344 nan 8.250 nan 0.000 0.424 12 L N 1.144 122.553 121.223 0.311 0.000 2.682 12 L HA 0.345 4.686 4.340 0.002 0.000 0.209 12 L C 0.277 177.230 176.870 0.138 0.000 1.195 12 L CA -0.397 54.569 54.840 0.211 0.000 0.869 12 L CB 0.383 42.486 42.059 0.073 0.000 1.599 12 L HN 0.421 nan 8.230 nan 0.000 0.518 13 K N 0.636 121.092 120.400 0.094 0.000 2.090 13 K HA 0.324 4.645 4.320 0.002 0.000 0.249 13 K C -2.326 174.306 176.600 0.053 0.000 0.995 13 K CA -1.587 54.744 56.287 0.073 0.000 0.914 13 K CB 0.525 33.064 32.500 0.065 0.000 1.057 13 K HN 0.309 nan 8.250 nan 0.000 0.462 14 P HA -0.022 nan 4.420 nan 0.000 0.271 14 P C 0.294 177.611 177.300 0.028 0.000 1.216 14 P CA 0.332 63.452 63.100 0.033 0.000 0.771 14 P CB 0.541 32.252 31.700 0.018 0.000 0.864 15 G N 2.265 111.084 108.800 0.032 0.000 2.203 15 G HA2 -0.270 3.691 3.960 0.002 0.000 0.263 15 G HA3 -0.270 3.691 3.960 0.002 0.000 0.263 15 G C -0.043 174.871 174.900 0.025 0.000 1.012 15 G CA 0.166 45.283 45.100 0.029 0.000 0.749 15 G HN 0.526 nan 8.290 nan 0.000 0.512 16 M N 0.330 119.942 119.600 0.019 0.000 2.142 16 M HA 0.373 4.854 4.480 0.002 0.000 0.299 16 M C -0.267 176.011 176.300 -0.036 0.000 0.960 16 M CA -0.802 54.497 55.300 -0.002 0.000 0.920 16 M CB 1.741 34.338 32.600 -0.005 0.000 1.541 16 M HN 0.142 nan 8.290 nan 0.000 0.429 17 D N 1.728 122.112 120.400 -0.026 0.000 2.447 17 D HA 0.489 5.130 4.640 0.002 0.000 0.265 17 D C 0.336 176.482 176.300 -0.257 0.000 1.250 17 D CA 0.207 54.182 54.000 -0.041 0.000 1.046 17 D CB 0.992 41.853 40.800 0.102 0.000 1.095 17 D HN 0.654 nan 8.370 nan 0.000 0.555 18 G N -0.697 107.799 108.800 -0.505 0.000 2.599 18 G HA2 0.353 4.315 3.960 0.002 0.000 0.264 18 G HA3 0.353 4.315 3.960 0.002 0.000 0.264 18 G C -2.225 172.467 174.900 -0.347 0.000 1.200 18 G CA -0.959 43.523 45.100 -1.030 0.000 0.896 18 G HN 0.461 nan 8.290 nan 0.000 0.536 19 P HA 0.189 nan 4.420 nan 0.000 0.273 19 P C -0.712 176.664 177.300 0.126 0.000 1.319 19 P CA 0.090 63.183 63.100 -0.011 0.000 0.885 19 P CB 0.524 32.232 31.700 0.013 0.000 1.015 20 K N 2.969 123.458 120.400 0.148 0.000 2.559 20 K HA 0.296 4.617 4.320 0.002 0.000 0.236 20 K C -0.278 176.383 176.600 0.101 0.000 1.185 20 K CA -0.596 55.785 56.287 0.157 0.000 1.157 20 K CB 0.694 33.284 32.500 0.149 0.000 1.782 20 K HN 0.264 nan 8.250 nan 0.000 0.419 21 V N 2.046 122.014 119.914 0.091 0.000 2.465 21 V HA 0.158 4.279 4.120 0.002 0.000 0.279 21 V C 0.492 176.621 176.094 0.057 0.000 1.045 21 V CA -0.868 61.479 62.300 0.077 0.000 0.938 21 V CB 1.214 33.083 31.823 0.076 0.000 0.986 21 V HN 0.466 nan 8.190 nan 0.000 0.467 22 K N 3.011 123.452 120.400 0.069 0.000 2.319 22 K HA 0.153 4.474 4.320 0.002 0.000 0.265 22 K C -0.029 176.581 176.600 0.017 0.000 1.000 22 K CA -0.295 56.024 56.287 0.053 0.000 0.943 22 K CB 0.603 33.150 32.500 0.079 0.000 0.950 22 K HN 0.735 nan 8.250 nan 0.000 0.485 23 Q N 3.462 123.242 119.800 -0.034 0.000 2.243 23 Q HA 0.257 4.599 4.340 0.002 0.000 0.252 23 Q C -1.659 174.296 176.000 -0.074 0.000 0.909 23 Q CA -0.563 55.141 55.803 -0.164 0.000 0.922 23 Q CB 0.585 29.235 28.738 -0.147 0.000 1.215 23 Q HN 0.488 nan 8.270 nan 0.000 0.427 24 W N 4.167 125.466 121.300 -0.002 0.000 2.448 24 W HA 0.724 5.385 4.660 0.002 0.000 0.339 24 W C -2.476 174.003 176.519 -0.067 0.000 1.124 24 W CA -2.866 54.454 57.345 -0.042 0.000 1.262 24 W CB -0.479 28.939 29.460 -0.070 0.000 1.251 24 W HN 0.531 nan 8.180 nan 0.000 0.597 25 P HA 0.078 nan 4.420 nan 0.000 0.266 25 P C -0.716 176.666 177.300 0.137 0.000 1.193 25 P CA 0.366 63.524 63.100 0.098 0.000 0.770 25 P CB 1.219 32.940 31.700 0.034 0.000 0.836 26 L N 1.096 122.341 121.223 0.037 0.000 2.333 26 L HA 0.463 4.805 4.340 0.002 0.000 0.263 26 L C 1.024 177.870 176.870 -0.040 0.000 1.014 26 L CA -0.979 53.870 54.840 0.015 0.000 0.820 26 L CB 2.098 44.159 42.059 0.004 0.000 1.352 26 L HN 0.371 nan 8.230 nan 0.000 0.421 27 T N -3.437 111.080 114.554 -0.061 0.000 2.904 27 T HA 0.124 4.475 4.350 0.002 0.000 0.290 27 T C 0.847 175.493 174.700 -0.090 0.000 1.018 27 T CA -0.423 61.636 62.100 -0.070 0.000 1.075 27 T CB 1.882 70.715 68.868 -0.058 0.000 0.986 27 T HN 0.807 nan 8.240 nan 0.000 0.523 28 E N 1.428 121.581 120.200 -0.078 0.000 2.037 28 E HA -0.376 3.975 4.350 0.002 0.000 0.214 28 E C 1.932 178.437 176.600 -0.158 0.000 1.041 28 E CA 2.396 58.740 56.400 -0.094 0.000 0.872 28 E CB -0.372 29.288 29.700 -0.066 0.000 0.785 28 E HN 0.955 nan 8.360 nan 0.000 0.476 29 E N 0.584 120.687 120.200 -0.162 0.000 2.197 29 E HA -0.301 4.050 4.350 0.002 0.000 0.205 29 E C 1.989 178.212 176.600 -0.628 0.000 1.029 29 E CA 1.967 58.196 56.400 -0.284 0.000 0.828 29 E CB -0.280 29.341 29.700 -0.133 0.000 0.737 29 E HN 0.280 nan 8.360 nan 0.000 0.464 30 K N 0.403 120.486 120.400 -0.527 0.000 2.062 30 K HA -0.008 4.313 4.320 0.002 0.000 0.205 30 K C 2.341 178.691 176.600 -0.416 0.000 1.051 30 K CA 1.368 57.275 56.287 -0.633 0.000 0.941 30 K CB -0.151 32.209 32.500 -0.233 0.000 0.719 30 K HN 0.245 nan 8.250 nan 0.000 0.440 31 I N 1.692 122.108 120.570 -0.257 0.000 2.226 31 I HA -0.300 3.871 4.170 0.002 0.000 0.245 31 I C 2.226 178.231 176.117 -0.186 0.000 1.100 31 I CA 1.418 62.616 61.300 -0.170 0.000 1.374 31 I CB -0.251 37.681 38.000 -0.112 0.000 1.057 31 I HN 0.176 nan 8.210 nan 0.000 0.413 32 K N 0.978 121.241 120.400 -0.229 0.000 2.009 32 K HA -0.167 4.154 4.320 0.002 0.000 0.210 32 K C 2.237 178.705 176.600 -0.220 0.000 1.049 32 K CA 1.680 57.851 56.287 -0.194 0.000 0.929 32 K CB -0.323 32.065 32.500 -0.187 0.000 0.714 32 K HN 0.297 nan 8.250 nan 0.000 0.440 33 A N 1.202 123.791 122.820 -0.385 0.000 2.019 33 A HA -0.104 4.217 4.320 0.002 0.000 0.219 33 A C 2.074 179.556 177.584 -0.170 0.000 1.164 33 A CA 1.155 52.994 52.037 -0.331 0.000 0.644 33 A CB -0.476 18.112 19.000 -0.686 0.000 0.805 33 A HN 0.170 nan 8.150 nan 0.000 0.449 34 L N -1.068 120.047 121.223 -0.179 0.000 2.131 34 L HA -0.099 4.242 4.340 0.002 0.000 0.206 34 L C 2.502 179.327 176.870 -0.075 0.000 1.087 34 L CA 0.652 55.428 54.840 -0.106 0.000 0.767 34 L CB -0.310 41.690 42.059 -0.098 0.000 0.917 34 L HN 0.240 nan 8.230 nan 0.000 0.441 35 V N -0.048 119.826 119.914 -0.068 0.000 2.261 35 V HA -0.289 3.833 4.120 0.002 0.000 0.246 35 V C 2.359 178.439 176.094 -0.024 0.000 1.047 35 V CA 1.841 64.126 62.300 -0.026 0.000 1.015 35 V CB -0.383 31.425 31.823 -0.025 0.000 0.642 35 V HN 0.451 nan 8.190 nan 0.000 0.446 36 E N -0.112 120.066 120.200 -0.035 0.000 2.023 36 E HA -0.234 4.117 4.350 0.002 0.000 0.196 36 E C 2.198 178.792 176.600 -0.010 0.000 1.003 36 E CA 1.835 58.226 56.400 -0.015 0.000 0.809 36 E CB -0.282 29.413 29.700 -0.009 0.000 0.755 36 E HN 0.529 nan 8.360 nan 0.000 0.449 37 I N 0.891 121.453 120.570 -0.013 0.000 2.113 37 I HA -0.363 3.809 4.170 0.002 0.000 0.242 37 I C 2.452 178.537 176.117 -0.054 0.000 1.064 37 I CA 0.964 62.260 61.300 -0.006 0.000 1.320 37 I CB -0.382 37.622 38.000 0.005 0.000 1.028 37 I HN 0.253 nan 8.210 nan 0.000 0.406 38 C N 0.343 119.574 119.300 -0.116 0.000 2.443 38 C HA -0.097 4.365 4.460 0.002 0.000 0.290 38 C C 2.813 177.722 174.990 -0.136 0.000 1.476 38 C CA 1.019 59.880 59.018 -0.261 0.000 1.772 38 C CB -1.466 25.964 27.740 -0.516 0.000 1.714 38 C HN 0.542 nan 8.230 nan 0.000 0.562 39 T N 0.895 115.430 114.554 -0.032 0.000 2.706 39 T HA -0.081 4.270 4.350 0.002 0.000 0.255 39 T C 1.651 176.354 174.700 0.005 0.000 1.048 39 T CA 1.251 63.364 62.100 0.021 0.000 1.153 39 T CB -0.148 68.733 68.868 0.022 0.000 0.865 39 T HN 0.447 nan 8.240 nan 0.000 0.414 40 E N 1.345 121.545 120.200 0.000 0.000 2.171 40 E HA -0.060 4.291 4.350 0.002 0.000 0.197 40 E C 2.016 178.607 176.600 -0.015 0.000 0.997 40 E CA 1.027 57.430 56.400 0.004 0.000 0.810 40 E CB -0.325 29.387 29.700 0.020 0.000 0.738 40 E HN 0.444 nan 8.360 nan 0.000 0.467 41 M N -0.213 119.359 119.600 -0.048 0.000 2.374 41 M HA -0.125 4.356 4.480 0.002 0.000 0.264 41 M C 2.093 178.335 176.300 -0.096 0.000 1.067 41 M CA 1.166 56.403 55.300 -0.105 0.000 1.103 41 M CB -0.091 32.399 32.600 -0.185 0.000 1.402 41 M HN 0.165 nan 8.290 nan 0.000 0.444 42 E N 0.696 120.876 120.200 -0.034 0.000 2.140 42 E HA -0.073 4.278 4.350 0.002 0.000 0.191 42 E C 1.053 177.650 176.600 -0.004 0.000 0.973 42 E CA 0.497 56.903 56.400 0.010 0.000 0.829 42 E CB 0.359 30.119 29.700 0.100 0.000 0.781 42 E HN 0.361 nan 8.360 nan 0.000 0.466 43 K N 0.489 120.889 120.400 -0.001 0.000 2.591 43 K HA 0.005 4.327 4.320 0.002 0.000 0.197 43 K C 0.277 176.875 176.600 -0.002 0.000 1.026 43 K CA 0.421 56.708 56.287 0.000 0.000 1.127 43 K CB 0.243 32.746 32.500 0.005 0.000 0.871 43 K HN 0.120 nan 8.250 nan 0.000 0.507 44 E N -0.890 119.303 120.200 -0.012 0.000 2.753 44 E HA 0.070 4.422 4.350 0.002 0.000 0.218 44 E C 0.272 176.858 176.600 -0.023 0.000 0.956 44 E CA -0.099 56.297 56.400 -0.008 0.000 1.244 44 E CB 1.335 31.034 29.700 -0.002 0.000 1.114 44 E HN 0.322 nan 8.360 nan 0.000 0.530 45 G N 2.650 111.431 108.800 -0.033 0.000 2.296 45 G HA2 -0.375 3.586 3.960 0.002 0.000 0.282 45 G HA3 -0.375 3.586 3.960 0.002 0.000 0.282 45 G C 0.906 175.763 174.900 -0.072 0.000 1.014 45 G CA 1.082 46.158 45.100 -0.041 0.000 0.812 45 G HN 0.197 nan 8.290 nan 0.000 0.508 46 K N -0.697 119.622 120.400 -0.135 0.000 2.228 46 K HA 0.179 4.500 4.320 0.002 0.000 0.202 46 K C 1.448 177.879 176.600 -0.282 0.000 1.051 46 K CA 1.451 57.594 56.287 -0.241 0.000 0.960 46 K CB 0.159 32.399 32.500 -0.432 0.000 0.743 46 K HN 0.839 nan 8.250 nan 0.000 0.458 47 I N -3.410 117.012 120.570 -0.247 0.000 3.006 47 I HA 0.385 4.556 4.170 0.002 0.000 0.306 47 I C -1.176 174.912 176.117 -0.048 0.000 1.250 47 I CA -1.012 60.151 61.300 -0.228 0.000 0.996 47 I CB 2.576 40.360 38.000 -0.360 0.000 1.261 47 I HN -0.327 nan 8.210 nan 0.000 0.442 48 S N 1.574 117.260 115.700 -0.024 0.000 2.536 48 S HA 0.429 4.900 4.470 0.002 0.000 0.271 48 S C -0.847 173.659 174.600 -0.157 0.000 1.134 48 S CA -1.024 57.144 58.200 -0.054 0.000 0.897 48 S CB 2.088 65.247 63.200 -0.068 0.000 1.094 48 S HN 0.553 nan 8.310 nan 0.000 0.473 49 K N 1.633 121.857 120.400 -0.293 0.000 2.344 49 K HA 0.344 4.665 4.320 0.002 0.000 0.260 49 K C 0.080 176.525 176.600 -0.260 0.000 0.988 49 K CA 0.151 56.185 56.287 -0.422 0.000 0.909 49 K CB 0.138 32.377 32.500 -0.436 0.000 0.968 49 K HN 0.656 nan 8.250 nan 0.000 0.505 50 I N -3.244 117.173 120.570 -0.256 0.000 3.145 50 I HA 0.614 4.785 4.170 0.002 0.000 0.313 50 I C 0.046 176.069 176.117 -0.157 0.000 1.122 50 I CA -1.098 60.098 61.300 -0.173 0.000 0.987 50 I CB 2.074 39.986 38.000 -0.147 0.000 1.236 50 I HN 0.571 nan 8.210 nan 0.000 0.453 51 G N 0.968 109.696 108.800 -0.120 0.000 2.671 51 G HA2 0.578 4.540 3.960 0.002 0.000 0.275 51 G HA3 0.578 4.540 3.960 0.002 0.000 0.275 51 G C -2.311 172.530 174.900 -0.098 0.000 1.368 51 G CA -1.301 43.735 45.100 -0.106 0.000 1.044 51 G HN 0.516 nan 8.290 nan 0.000 0.543 52 P HA 0.024 nan 4.420 nan 0.000 0.233 52 P C 1.372 178.621 177.300 -0.085 0.000 1.167 52 P CA 0.687 63.739 63.100 -0.080 0.000 0.770 52 P CB 0.316 31.975 31.700 -0.068 0.000 0.837 53 E N -0.976 119.174 120.200 -0.084 0.000 2.511 53 E HA -0.071 4.281 4.350 0.002 0.000 0.196 53 E C 0.056 176.588 176.600 -0.113 0.000 1.066 53 E CA 0.467 56.814 56.400 -0.087 0.000 0.871 53 E CB -0.753 28.906 29.700 -0.069 0.000 0.863 53 E HN 0.130 nan 8.360 nan 0.000 0.520 54 N N 2.176 120.806 118.700 -0.118 0.000 2.621 54 N HA 0.147 4.888 4.740 0.002 0.000 0.237 54 N C -1.763 173.643 175.510 -0.173 0.000 0.997 54 N CA -1.770 51.199 53.050 -0.135 0.000 0.918 54 N CB 1.620 40.064 38.487 -0.072 0.000 1.122 54 N HN -0.071 nan 8.380 nan 0.000 0.510 55 P HA -0.045 nan 4.420 nan 0.000 0.222 55 P C 0.043 177.233 177.300 -0.184 0.000 1.153 55 P CA 0.563 63.487 63.100 -0.294 0.000 0.798 55 P CB 0.250 31.708 31.700 -0.405 0.000 0.796 56 Y N 0.942 121.261 120.300 0.032 0.000 2.457 56 Y HA 0.222 4.773 4.550 0.002 0.000 0.341 56 Y C 1.182 177.102 175.900 0.033 0.000 1.240 56 Y CA -0.335 57.791 58.100 0.044 0.000 1.437 56 Y CB 0.099 38.614 38.460 0.091 0.000 1.328 56 Y HN 0.008 nan 8.280 nan 0.000 0.588 57 N N -0.244 118.590 118.700 0.223 0.000 2.555 57 N HA 0.366 5.107 4.740 0.002 0.000 0.265 57 N C -1.893 173.686 175.510 0.115 0.000 1.135 57 N CA -0.524 52.609 53.050 0.138 0.000 0.925 57 N CB 1.917 40.450 38.487 0.077 0.000 1.662 57 N HN 0.512 nan 8.380 nan 0.000 0.489 58 T N 2.603 117.220 114.554 0.104 0.000 2.893 58 T HA 0.577 4.928 4.350 0.002 0.000 0.293 58 T C -2.797 171.846 174.700 -0.094 0.000 1.027 58 T CA -0.987 61.121 62.100 0.013 0.000 0.988 58 T CB 1.998 70.864 68.868 -0.003 0.000 1.043 58 T HN 0.339 nan 8.240 nan 0.000 0.461 59 P HA 0.335 nan 4.420 nan 0.000 0.269 59 P C -1.168 175.883 177.300 -0.416 0.000 1.209 59 P CA -0.356 62.484 63.100 -0.433 0.000 0.776 59 P CB 0.612 31.953 31.700 -0.598 0.000 0.876 60 V N 4.708 124.357 119.914 -0.441 0.000 2.817 60 V HA 0.776 4.897 4.120 0.002 0.000 0.303 60 V C -1.506 174.488 176.094 -0.167 0.000 1.151 60 V CA -0.525 61.559 62.300 -0.360 0.000 0.929 60 V CB 0.815 32.370 31.823 -0.446 0.000 1.030 60 V HN 0.554 nan 8.190 nan 0.000 0.427 61 F N 4.294 124.119 119.950 -0.208 0.000 2.754 61 F HA 1.032 5.561 4.527 0.002 0.000 0.320 61 F C -0.426 175.366 175.800 -0.014 0.000 1.156 61 F CA -0.619 57.334 58.000 -0.079 0.000 0.950 61 F CB 1.189 40.237 39.000 0.080 0.000 1.388 61 F HN 0.761 nan 8.300 nan 0.000 0.485 62 A N 1.030 123.983 122.820 0.222 0.000 2.356 62 A HA 0.934 5.255 4.320 0.002 0.000 0.323 62 A C -0.737 177.083 177.584 0.393 0.000 1.119 62 A CA -0.548 51.613 52.037 0.205 0.000 0.790 62 A CB 1.277 20.420 19.000 0.238 0.000 1.273 62 A HN 1.241 nan 8.150 nan 0.000 0.452 63 I N -2.548 118.198 120.570 0.293 0.000 3.550 63 I HA 0.713 4.884 4.170 0.002 0.000 0.307 63 I C -1.096 175.022 176.117 0.001 0.000 1.178 63 I CA -1.190 60.225 61.300 0.192 0.000 1.001 63 I CB 1.920 40.027 38.000 0.177 0.000 1.360 63 I HN 0.514 nan 8.210 nan 0.000 0.477 64 K N 0.635 120.953 120.400 -0.136 0.000 2.466 64 K HA 0.553 4.874 4.320 0.002 0.000 0.260 64 K C -1.390 175.066 176.600 -0.240 0.000 1.011 64 K CA -1.103 55.022 56.287 -0.271 0.000 0.871 64 K CB 2.204 34.465 32.500 -0.398 0.000 1.404 64 K HN 0.388 nan 8.250 nan 0.000 0.450 65 K N 1.506 121.713 120.400 -0.321 0.000 2.123 65 K HA 0.170 4.491 4.320 0.002 0.000 0.248 65 K C 0.806 177.230 176.600 -0.293 0.000 0.969 65 K CA -0.532 55.536 56.287 -0.365 0.000 0.882 65 K CB 1.129 33.251 32.500 -0.630 0.000 1.080 65 K HN 0.646 nan 8.250 nan 0.000 0.441 66 K N 0.533 120.764 120.400 -0.282 0.000 2.209 66 K HA -0.363 3.958 4.320 0.002 0.000 0.220 66 K C 0.710 177.202 176.600 -0.181 0.000 1.002 66 K CA 2.810 58.955 56.287 -0.236 0.000 0.947 66 K CB -0.380 31.972 32.500 -0.248 0.000 0.891 66 K HN 0.756 nan 8.250 nan 0.000 0.476 67 D N 0.168 120.453 120.400 -0.191 0.000 2.602 67 D HA -0.015 4.626 4.640 0.002 0.000 0.284 67 D C 0.409 176.633 176.300 -0.127 0.000 1.065 67 D CA 0.447 54.364 54.000 -0.138 0.000 0.923 67 D CB -0.493 40.228 40.800 -0.132 0.000 1.373 67 D HN 0.385 nan 8.370 nan 0.000 0.492 68 S N 0.687 116.295 115.700 -0.154 0.000 2.572 68 S HA 0.302 4.773 4.470 0.002 0.000 0.279 68 S C 0.788 175.282 174.600 -0.178 0.000 1.341 68 S CA 0.013 58.141 58.200 -0.121 0.000 1.043 68 S CB 0.685 63.823 63.200 -0.103 0.000 0.887 68 S HN 0.348 nan 8.310 nan 0.000 0.516 69 T N -1.439 113.021 114.554 -0.156 0.000 3.221 69 T HA 0.348 4.699 4.350 0.002 0.000 0.246 69 T C -0.282 174.250 174.700 -0.280 0.000 0.952 69 T CA -0.740 61.215 62.100 -0.241 0.000 0.994 69 T CB -0.537 68.222 68.868 -0.182 0.000 1.127 69 T HN 0.717 nan 8.240 nan 0.000 0.549 70 K N 1.187 121.439 120.400 -0.247 0.000 2.358 70 K HA 0.349 4.670 4.320 0.002 0.000 0.260 70 K C -1.002 175.508 176.600 -0.151 0.000 0.956 70 K CA -0.993 55.206 56.287 -0.146 0.000 0.834 70 K CB 0.997 33.486 32.500 -0.019 0.000 1.102 70 K HN 0.399 nan 8.250 nan 0.000 0.431 71 W N 4.351 125.646 121.300 -0.008 0.000 2.520 71 W HA 0.002 4.663 4.660 0.002 0.000 0.337 71 W C 0.803 177.324 176.519 0.003 0.000 1.406 71 W CA 0.004 57.344 57.345 -0.008 0.000 1.318 71 W CB 0.217 29.676 29.460 -0.002 0.000 1.338 71 W HN 0.455 nan 8.180 nan 0.000 0.570 72 R N 3.667 124.294 120.500 0.212 0.000 2.664 72 R HA 0.370 4.711 4.340 0.002 0.000 0.286 72 R C -0.649 175.716 176.300 0.108 0.000 0.967 72 R CA -0.968 55.227 56.100 0.157 0.000 0.933 72 R CB 1.026 31.390 30.300 0.106 0.000 1.146 72 R HN 0.402 nan 8.270 nan 0.000 0.468 73 K N 4.633 125.071 120.400 0.064 0.000 2.248 73 K HA 0.252 4.573 4.320 0.002 0.000 0.281 73 K C -1.423 175.099 176.600 -0.130 0.000 1.054 73 K CA -0.668 55.583 56.287 -0.060 0.000 0.903 73 K CB 0.862 33.322 32.500 -0.067 0.000 1.077 73 K HN 0.413 nan 8.250 nan 0.000 0.474 74 L N 5.432 126.448 121.223 -0.346 0.000 2.322 74 L HA 0.437 4.778 4.340 0.002 0.000 0.281 74 L C -1.529 174.988 176.870 -0.588 0.000 1.014 74 L CA -0.585 53.993 54.840 -0.438 0.000 0.815 74 L CB 1.881 43.582 42.059 -0.598 0.000 1.247 74 L HN 0.420 nan 8.230 nan 0.000 0.421 75 V N 3.872 123.554 119.914 -0.388 0.000 2.448 75 V HA 0.295 4.416 4.120 0.002 0.000 0.295 75 V C -0.464 175.395 176.094 -0.392 0.000 1.025 75 V CA -0.673 61.302 62.300 -0.542 0.000 0.859 75 V CB 1.486 32.811 31.823 -0.829 0.000 0.988 75 V HN 0.772 nan 8.190 nan 0.000 0.431 76 D N 3.631 123.898 120.400 -0.221 0.000 2.600 76 D HA 0.141 4.782 4.640 0.002 0.000 0.226 76 D C 0.522 176.795 176.300 -0.047 0.000 1.119 76 D CA -0.028 53.999 54.000 0.045 0.000 1.051 76 D CB -0.381 40.619 40.800 0.333 0.000 1.106 76 D HN 0.470 nan 8.370 nan 0.000 0.491 77 F N 1.168 121.185 119.950 0.111 0.000 2.707 77 F HA 0.126 4.655 4.527 0.002 0.000 0.299 77 F C 2.072 177.941 175.800 0.114 0.000 1.259 77 F CA -0.259 57.806 58.000 0.107 0.000 1.437 77 F CB 0.048 39.129 39.000 0.135 0.000 1.071 77 F HN 0.182 nan 8.300 nan 0.000 0.518 78 R N 0.270 120.903 120.500 0.221 0.000 2.070 78 R HA -0.210 4.132 4.340 0.002 0.000 0.232 78 R C 2.133 178.510 176.300 0.128 0.000 1.138 78 R CA 1.727 57.911 56.100 0.141 0.000 0.936 78 R CB -0.413 29.916 30.300 0.050 0.000 0.839 78 R HN 0.141 nan 8.270 nan 0.000 0.429 79 E N 0.924 121.195 120.200 0.118 0.000 2.171 79 E HA -0.197 4.154 4.350 0.002 0.000 0.197 79 E C 1.655 178.320 176.600 0.109 0.000 0.997 79 E CA 1.051 57.508 56.400 0.095 0.000 0.810 79 E CB -0.117 29.636 29.700 0.087 0.000 0.738 79 E HN 0.160 nan 8.360 nan 0.000 0.467 80 L N 0.344 121.675 121.223 0.179 0.000 2.071 80 L HA 0.024 4.365 4.340 0.002 0.000 0.201 80 L C 1.680 178.682 176.870 0.221 0.000 1.076 80 L CA 1.543 56.497 54.840 0.189 0.000 0.755 80 L CB -0.923 41.297 42.059 0.269 0.000 0.915 80 L HN 0.039 nan 8.230 nan 0.000 0.445 81 N N 0.712 119.570 118.700 0.263 0.000 2.187 81 N HA -0.284 4.457 4.740 0.002 0.000 0.194 81 N C 1.616 177.165 175.510 0.067 0.000 1.002 81 N CA 2.001 55.150 53.050 0.165 0.000 0.882 81 N CB -0.215 38.351 38.487 0.132 0.000 1.003 81 N HN 0.670 nan 8.380 nan 0.000 0.443 82 K N 0.205 120.651 120.400 0.078 0.000 2.067 82 K HA 0.091 4.412 4.320 0.002 0.000 0.203 82 K C 1.879 178.525 176.600 0.077 0.000 1.048 82 K CA 0.534 56.854 56.287 0.055 0.000 0.954 82 K CB -0.210 32.317 32.500 0.044 0.000 0.737 82 K HN 0.007 nan 8.250 nan 0.000 0.444 83 R N 0.618 121.165 120.500 0.079 0.000 2.115 83 R HA -0.037 4.304 4.340 0.002 0.000 0.226 83 R C 2.391 178.762 176.300 0.118 0.000 1.100 83 R CA 1.590 57.731 56.100 0.069 0.000 0.980 83 R CB -0.388 29.920 30.300 0.013 0.000 0.875 83 R HN 0.335 nan 8.270 nan 0.000 0.445 84 T N 0.571 115.237 114.554 0.187 0.000 2.851 84 T HA -0.080 4.272 4.350 0.002 0.000 0.262 84 T C 1.306 176.115 174.700 0.182 0.000 1.043 84 T CA 0.782 63.072 62.100 0.316 0.000 1.140 84 T CB 0.070 69.347 68.868 0.682 0.000 0.872 84 T HN 0.168 nan 8.240 nan 0.000 0.446 85 Q N 1.991 121.829 119.800 0.062 0.000 2.185 85 Q HA -0.046 4.295 4.340 0.002 0.000 0.179 85 Q C 1.220 177.380 176.000 0.268 0.000 0.810 85 Q CA 0.229 56.020 55.803 -0.019 0.000 1.021 85 Q CB -0.154 28.431 28.738 -0.255 0.000 1.244 85 Q HN 0.750 nan 8.270 nan 0.000 0.404 86 D N -0.191 120.356 120.400 0.245 0.000 2.239 86 D HA -0.204 4.437 4.640 0.002 0.000 0.202 86 D C 0.416 176.974 176.300 0.430 0.000 0.993 86 D CA 1.171 55.332 54.000 0.267 0.000 0.874 86 D CB 0.034 40.951 40.800 0.195 0.000 0.922 86 D HN 0.208 nan 8.370 nan 0.000 0.464 87 F N -0.925 119.224 119.950 0.332 0.000 2.985 87 F HA 0.385 4.913 4.527 0.002 0.000 0.332 87 F C -2.070 174.033 175.800 0.505 0.000 1.126 87 F CA -1.462 56.708 58.000 0.283 0.000 0.884 87 F CB 0.324 39.344 39.000 0.035 0.000 1.361 87 F HN 0.048 nan 8.300 nan 0.000 0.450 88 W N 3.247 124.113 121.300 -0.724 0.000 3.662 88 W HA 0.579 5.240 4.660 0.002 0.000 0.308 88 W C -2.123 173.858 176.519 -0.896 0.000 1.128 88 W CA -0.917 56.041 57.345 -0.645 0.000 1.305 88 W CB 0.048 29.309 29.460 -0.332 0.000 1.097 88 W HN 0.673 nan 8.180 nan 0.000 0.393 89 E N 1.775 121.467 120.200 -0.848 0.000 2.266 89 E HA 0.541 4.892 4.350 0.002 0.000 0.268 89 E C 0.070 176.516 176.600 -0.257 0.000 0.879 89 E CA -1.142 54.878 56.400 -0.633 0.000 0.762 89 E CB 2.018 31.338 29.700 -0.634 0.000 1.199 89 E HN 1.147 nan 8.360 nan 0.000 0.422 90 V N 2.373 122.196 119.914 -0.152 0.000 3.078 90 V HA -0.352 3.769 4.120 0.002 0.000 0.168 90 V C 0.143 176.208 176.094 -0.047 0.000 0.466 90 V CA 3.033 65.292 62.300 -0.069 0.000 1.138 90 V CB -1.461 30.333 31.823 -0.048 0.000 1.308 90 V HN 1.015 nan 8.190 nan 0.000 1.101 91 Q N -1.886 117.885 119.800 -0.047 0.000 1.921 91 Q HA 0.306 4.647 4.340 0.002 0.000 0.192 91 Q C 0.350 176.384 176.000 0.055 0.000 0.755 91 Q CA -0.118 55.677 55.803 -0.013 0.000 0.904 91 Q CB 0.091 28.806 28.738 -0.039 0.000 1.222 91 Q HN 0.612 nan 8.270 nan 0.000 0.417 92 L N 2.505 123.758 121.223 0.051 0.000 2.605 92 L HA 0.096 4.437 4.340 0.002 0.000 0.296 92 L C 1.617 178.674 176.870 0.311 0.000 1.255 92 L CA 1.799 56.764 54.840 0.209 0.000 0.879 92 L CB 0.540 42.595 42.059 -0.006 0.000 1.124 92 L HN 0.375 nan 8.230 nan 0.000 0.507 93 G N 5.141 114.247 108.800 0.509 0.000 2.830 93 G HA2 -0.300 3.662 3.960 0.002 0.000 0.230 93 G HA3 -0.300 3.662 3.960 0.002 0.000 0.230 93 G C 0.485 175.510 174.900 0.208 0.000 1.172 93 G CA 1.598 46.833 45.100 0.226 0.000 0.764 93 G HN 0.975 nan 8.290 nan 0.000 0.640 94 I N -0.697 120.034 120.570 0.268 0.000 2.626 94 I HA 0.171 4.342 4.170 0.002 0.000 0.296 94 I C -2.512 173.765 176.117 0.267 0.000 1.759 94 I CA -1.384 60.078 61.300 0.270 0.000 1.081 94 I CB 1.352 39.597 38.000 0.409 0.000 1.615 94 I HN 0.066 nan 8.210 nan 0.000 0.490 95 P HA 0.124 nan 4.420 nan 0.000 0.266 95 P C -0.817 176.564 177.300 0.136 0.000 1.215 95 P CA 0.295 63.480 63.100 0.142 0.000 0.763 95 P CB 0.144 31.894 31.700 0.084 0.000 0.806 96 H N 5.295 124.404 119.070 0.065 0.000 3.046 96 H HA 0.125 4.682 4.556 0.002 0.000 0.303 96 H C -1.713 173.553 175.328 -0.104 0.000 1.002 96 H CA -1.141 54.877 56.048 -0.050 0.000 1.460 96 H CB -0.265 29.459 29.762 -0.064 0.000 1.493 96 H HN 0.255 nan 8.280 nan 0.000 0.559 97 P HA 0.058 nan 4.420 nan 0.000 0.263 97 P C -0.177 176.884 177.300 -0.400 0.000 1.345 97 P CA 0.113 62.938 63.100 -0.459 0.000 1.119 97 P CB 0.300 31.723 31.700 -0.462 0.000 1.363 98 A N 3.219 125.933 122.820 -0.178 0.000 2.248 98 A HA 0.062 4.383 4.320 0.002 0.000 0.210 98 A C 2.001 179.521 177.584 -0.107 0.000 1.174 98 A CA 1.401 53.378 52.037 -0.099 0.000 0.750 98 A CB -0.703 18.284 19.000 -0.023 0.000 0.780 98 A HN 0.515 nan 8.150 nan 0.000 0.478 99 G N -1.098 107.626 108.800 -0.126 0.000 2.833 99 G HA2 0.182 4.143 3.960 0.002 0.000 0.210 99 G HA3 0.182 4.143 3.960 0.002 0.000 0.210 99 G C 1.222 176.057 174.900 -0.109 0.000 1.139 99 G CA 0.602 45.645 45.100 -0.094 0.000 0.771 99 G HN 0.401 nan 8.290 nan 0.000 0.535 100 L N 1.897 123.022 121.223 -0.163 0.000 2.046 100 L HA 0.022 4.363 4.340 0.002 0.000 0.208 100 L C 2.603 179.400 176.870 -0.122 0.000 1.077 100 L CA 2.318 57.072 54.840 -0.143 0.000 0.747 100 L CB -0.378 41.540 42.059 -0.234 0.000 0.896 100 L HN 0.357 nan 8.230 nan 0.000 0.432 101 K N -1.078 119.240 120.400 -0.136 0.000 2.589 101 K HA -0.075 4.246 4.320 0.002 0.000 0.192 101 K C 1.247 177.773 176.600 -0.124 0.000 1.029 101 K CA 1.031 57.250 56.287 -0.114 0.000 1.031 101 K CB -0.170 32.262 32.500 -0.113 0.000 0.821 101 K HN 0.348 nan 8.250 nan 0.000 0.502 102 K N 0.320 120.653 120.400 -0.113 0.000 2.412 102 K HA 0.145 4.466 4.320 0.002 0.000 0.202 102 K C -0.240 176.301 176.600 -0.099 0.000 1.102 102 K CA -0.316 55.913 56.287 -0.097 0.000 1.027 102 K CB 0.610 33.070 32.500 -0.068 0.000 0.931 102 K HN -0.044 nan 8.250 nan 0.000 0.557 103 K N 1.859 122.199 120.400 -0.101 0.000 2.326 103 K HA 0.095 4.417 4.320 0.002 0.000 0.275 103 K C 0.878 177.406 176.600 -0.119 0.000 1.018 103 K CA 0.012 56.248 56.287 -0.085 0.000 0.962 103 K CB 0.840 33.310 32.500 -0.050 0.000 0.953 103 K HN -0.136 nan 8.250 nan 0.000 0.475 104 K N 1.115 121.456 120.400 -0.097 0.000 2.015 104 K HA -0.113 4.208 4.320 0.002 0.000 0.216 104 K C 0.835 177.386 176.600 -0.083 0.000 1.052 104 K CA 1.550 57.780 56.287 -0.095 0.000 0.937 104 K CB -0.238 32.212 32.500 -0.084 0.000 0.719 104 K HN 0.497 nan 8.250 nan 0.000 0.446 105 S N -0.744 114.852 115.700 -0.174 0.000 2.766 105 S HA 0.599 5.070 4.470 0.002 0.000 0.307 105 S C -0.577 173.870 174.600 -0.256 0.000 1.121 105 S CA -0.887 57.119 58.200 -0.324 0.000 0.980 105 S CB 2.540 65.325 63.200 -0.693 0.000 1.159 105 S HN -0.007 nan 8.310 nan 0.000 0.546 106 V N 1.009 120.799 119.914 -0.206 0.000 2.903 106 V HA 0.400 4.521 4.120 0.002 0.000 0.289 106 V C -0.877 175.288 176.094 0.118 0.000 1.355 106 V CA -0.539 61.786 62.300 0.043 0.000 0.953 106 V CB 2.310 34.147 31.823 0.023 0.000 1.102 106 V HN 0.946 nan 8.190 nan 0.000 0.435 107 T N 3.597 118.277 114.554 0.210 0.000 2.918 107 T HA 0.677 5.029 4.350 0.002 0.000 0.286 107 T C -0.745 173.997 174.700 0.070 0.000 1.026 107 T CA -0.487 61.690 62.100 0.128 0.000 1.031 107 T CB 1.980 70.901 68.868 0.088 0.000 1.046 107 T HN 0.370 nan 8.240 nan 0.000 0.479 108 V N 3.813 123.739 119.914 0.020 0.000 2.326 108 V HA 0.405 4.526 4.120 0.002 0.000 0.281 108 V C -0.271 175.752 176.094 -0.117 0.000 1.015 108 V CA -0.641 61.573 62.300 -0.143 0.000 0.823 108 V CB 0.760 32.502 31.823 -0.135 0.000 1.009 108 V HN 0.666 nan 8.190 nan 0.000 0.436 109 L N 3.198 124.334 121.223 -0.145 0.000 2.360 109 L HA 0.549 4.890 4.340 0.002 0.000 0.271 109 L C -0.104 176.690 176.870 -0.126 0.000 1.057 109 L CA -0.530 54.243 54.840 -0.111 0.000 0.803 109 L CB 1.535 43.526 42.059 -0.113 0.000 1.207 109 L HN 0.530 nan 8.230 nan 0.000 0.445 110 D N 1.034 121.368 120.400 -0.109 0.000 2.485 110 D HA 0.232 4.873 4.640 0.002 0.000 0.221 110 D C 0.202 176.346 176.300 -0.260 0.000 1.112 110 D CA -0.363 53.544 54.000 -0.154 0.000 0.911 110 D CB 0.962 41.701 40.800 -0.102 0.000 1.019 110 D HN 0.228 nan 8.370 nan 0.000 0.516 111 V N 2.005 121.746 119.914 -0.288 0.000 3.110 111 V HA 0.464 4.585 4.120 0.002 0.000 0.368 111 V C 1.629 177.374 176.094 -0.582 0.000 1.332 111 V CA 0.065 62.132 62.300 -0.389 0.000 1.287 111 V CB 0.338 31.947 31.823 -0.357 0.000 1.277 111 V HN 0.409 nan 8.190 nan 0.000 0.502 112 G N 0.366 108.862 108.800 -0.506 0.000 2.422 112 G HA2 -0.167 3.794 3.960 0.002 0.000 0.218 112 G HA3 -0.167 3.794 3.960 0.002 0.000 0.218 112 G C 1.106 175.606 174.900 -0.666 0.000 1.140 112 G CA 0.988 45.767 45.100 -0.535 0.000 0.775 112 G HN 0.517 nan 8.290 nan 0.000 0.545 113 D N 1.270 121.323 120.400 -0.578 0.000 2.092 113 D HA -0.126 4.515 4.640 0.002 0.000 0.193 113 D C 2.890 178.953 176.300 -0.395 0.000 0.994 113 D CA 1.305 55.023 54.000 -0.470 0.000 0.828 113 D CB -0.412 40.208 40.800 -0.299 0.000 0.963 113 D HN 0.272 nan 8.370 nan 0.000 0.450 114 A N 0.556 123.098 122.820 -0.463 0.000 2.023 114 A HA -0.269 4.052 4.320 0.002 0.000 0.223 114 A C 2.066 179.376 177.584 -0.456 0.000 1.180 114 A CA 1.479 53.234 52.037 -0.469 0.000 0.659 114 A CB -1.380 17.188 19.000 -0.719 0.000 0.817 114 A HN 0.427 nan 8.150 nan 0.000 0.466 115 Y N -1.571 118.433 120.300 -0.493 0.000 2.224 115 Y HA -0.151 4.400 4.550 0.002 0.000 0.289 115 Y C 1.609 177.587 175.900 0.129 0.000 1.146 115 Y CA 0.595 58.535 58.100 -0.268 0.000 1.182 115 Y CB -0.309 37.995 38.460 -0.260 0.000 0.983 115 Y HN 0.349 nan 8.280 nan 0.000 0.524 116 F N 0.196 120.221 119.950 0.125 0.000 2.707 116 F HA -0.039 4.489 4.527 0.002 0.000 0.299 116 F C 1.072 176.933 175.800 0.103 0.000 1.259 116 F CA 0.082 58.156 58.000 0.123 0.000 1.437 116 F CB -0.253 38.809 39.000 0.102 0.000 1.071 116 F HN 0.059 nan 8.300 nan 0.000 0.518 117 S N -1.246 114.627 115.700 0.288 0.000 3.031 117 S HA 0.309 4.780 4.470 0.002 0.000 0.253 117 S C -0.542 174.191 174.600 0.222 0.000 0.996 117 S CA -0.361 57.967 58.200 0.212 0.000 1.098 117 S CB -0.079 63.231 63.200 0.183 0.000 1.042 117 S HN -0.084 nan 8.310 nan 0.000 0.593 118 V N 3.789 123.852 119.914 0.248 0.000 2.488 118 V HA 0.535 4.656 4.120 0.002 0.000 0.293 118 V C -2.446 173.766 176.094 0.196 0.000 1.027 118 V CA -1.920 60.522 62.300 0.237 0.000 0.862 118 V CB 1.944 33.955 31.823 0.313 0.000 1.008 118 V HN 0.265 nan 8.190 nan 0.000 0.428 119 P HA 0.119 nan 4.420 nan 0.000 0.270 119 P C -0.812 176.566 177.300 0.131 0.000 1.227 119 P CA -0.147 63.026 63.100 0.123 0.000 0.788 119 P CB 1.380 33.136 31.700 0.094 0.000 0.926 120 L N 1.070 122.363 121.223 0.115 0.000 2.333 120 L HA 0.452 4.793 4.340 0.002 0.000 0.269 120 L C -0.364 176.569 176.870 0.105 0.000 1.010 120 L CA -0.877 54.035 54.840 0.121 0.000 0.818 120 L CB 1.171 43.299 42.059 0.114 0.000 1.306 120 L HN 0.236 nan 8.230 nan 0.000 0.430 121 D N 1.740 122.208 120.400 0.113 0.000 2.426 121 D HA -0.029 4.612 4.640 0.002 0.000 0.261 121 D C 1.105 177.465 176.300 0.100 0.000 1.245 121 D CA 0.539 54.598 54.000 0.098 0.000 0.917 121 D CB 0.846 41.699 40.800 0.088 0.000 1.123 121 D HN 0.643 nan 8.370 nan 0.000 0.508 122 E N 2.870 123.105 120.200 0.058 0.000 2.113 122 E HA -0.287 4.064 4.350 0.002 0.000 0.210 122 E C 0.885 177.486 176.600 0.001 0.000 1.040 122 E CA 1.947 58.363 56.400 0.025 0.000 0.847 122 E CB 0.001 29.712 29.700 0.017 0.000 0.755 122 E HN 0.633 nan 8.360 nan 0.000 0.459 123 D N -1.334 119.074 120.400 0.014 0.000 2.378 123 D HA -0.132 4.509 4.640 0.002 0.000 0.222 123 D C 1.273 177.515 176.300 -0.097 0.000 0.980 123 D CA 0.504 54.489 54.000 -0.025 0.000 0.907 123 D CB -0.057 40.753 40.800 0.018 0.000 0.899 123 D HN 0.236 nan 8.370 nan 0.000 0.527 124 F N 1.492 121.306 119.950 -0.226 0.000 2.559 124 F HA 0.122 4.650 4.527 0.002 0.000 0.286 124 F C 2.085 177.670 175.800 -0.359 0.000 1.108 124 F CA 0.100 57.898 58.000 -0.337 0.000 1.436 124 F CB 0.124 39.037 39.000 -0.145 0.000 1.130 124 F HN -0.292 nan 8.300 nan 0.000 0.584 125 R N 1.196 121.564 120.500 -0.220 0.000 2.174 125 R HA -0.257 4.084 4.340 0.002 0.000 0.253 125 R C 1.968 178.110 176.300 -0.264 0.000 1.165 125 R CA 2.045 58.017 56.100 -0.212 0.000 0.984 125 R CB -0.900 29.356 30.300 -0.072 0.000 0.873 125 R HN 0.433 nan 8.270 nan 0.000 0.456 126 K N -0.115 120.094 120.400 -0.320 0.000 2.442 126 K HA -0.145 4.177 4.320 0.002 0.000 0.198 126 K C 1.184 177.787 176.600 0.005 0.000 1.042 126 K CA 1.394 57.593 56.287 -0.147 0.000 0.958 126 K CB -0.131 32.312 32.500 -0.096 0.000 0.766 126 K HN 0.407 nan 8.250 nan 0.000 0.474 127 Y N 1.804 121.880 120.300 -0.374 0.000 2.517 127 Y HA -0.021 4.530 4.550 0.002 0.000 0.281 127 Y C 1.791 177.490 175.900 -0.335 0.000 1.125 127 Y CA 0.424 58.205 58.100 -0.532 0.000 1.283 127 Y CB 0.519 38.417 38.460 -0.937 0.000 1.042 127 Y HN 0.220 nan 8.280 nan 0.000 0.547 128 T N -1.420 113.056 114.554 -0.131 0.000 3.312 128 T HA 0.448 4.799 4.350 0.002 0.000 0.251 128 T C 0.418 175.322 174.700 0.339 0.000 1.012 128 T CA -0.407 61.770 62.100 0.130 0.000 0.925 128 T CB -0.499 68.383 68.868 0.024 0.000 1.049 128 T HN 0.184 nan 8.240 nan 0.000 0.583 129 A N 2.039 124.989 122.820 0.217 0.000 2.451 129 A HA 0.586 4.908 4.320 0.002 0.000 0.266 129 A C -0.137 177.578 177.584 0.218 0.000 1.119 129 A CA -0.710 51.421 52.037 0.157 0.000 0.786 129 A CB -0.543 18.529 19.000 0.121 0.000 1.061 129 A HN 0.794 nan 8.150 nan 0.000 0.503 130 F N 0.311 120.314 119.950 0.087 0.000 2.603 130 F HA 0.847 5.375 4.527 0.002 0.000 0.317 130 F C -0.361 175.453 175.800 0.024 0.000 1.066 130 F CA -0.869 57.142 58.000 0.018 0.000 0.941 130 F CB 1.432 40.421 39.000 -0.019 0.000 1.291 130 F HN 0.273 nan 8.300 nan 0.000 0.472 131 T N 3.239 117.938 114.554 0.241 0.000 2.824 131 T HA 0.523 4.874 4.350 0.002 0.000 0.282 131 T C -0.406 174.391 174.700 0.162 0.000 0.993 131 T CA -0.404 61.763 62.100 0.111 0.000 0.967 131 T CB 1.434 70.313 68.868 0.019 0.000 0.960 131 T HN 0.593 nan 8.240 nan 0.000 0.441 132 I N 6.084 126.743 120.570 0.149 0.000 2.291 132 I HA 0.230 4.401 4.170 0.002 0.000 0.292 132 I C -1.657 174.477 176.117 0.028 0.000 1.064 132 I CA -2.234 59.126 61.300 0.099 0.000 1.269 132 I CB 1.111 39.185 38.000 0.124 0.000 1.418 132 I HN 0.334 nan 8.210 nan 0.000 0.485 133 P HA 0.001 nan 4.420 nan 0.000 0.271 133 P C -0.439 176.848 177.300 -0.022 0.000 1.244 133 P CA -0.251 62.836 63.100 -0.023 0.000 0.793 133 P CB 1.071 32.748 31.700 -0.038 0.000 0.984 134 S N 0.269 115.954 115.700 -0.024 0.000 2.472 134 S HA 0.412 4.883 4.470 0.002 0.000 0.303 134 S C 0.175 174.759 174.600 -0.027 0.000 1.099 134 S CA -0.958 57.227 58.200 -0.026 0.000 1.077 134 S CB -0.089 63.096 63.200 -0.025 0.000 1.031 134 S HN 0.254 nan 8.310 nan 0.000 0.487 135 I N 4.673 125.225 120.570 -0.030 0.000 2.662 135 I HA 0.025 4.197 4.170 0.002 0.000 0.285 135 I C 1.269 177.372 176.117 -0.024 0.000 1.161 135 I CA 0.449 61.732 61.300 -0.029 0.000 1.415 135 I CB -0.152 37.829 38.000 -0.032 0.000 1.385 135 I HN 1.006 nan 8.210 nan 0.000 0.552 136 N N 4.955 123.642 118.700 -0.021 0.000 2.955 136 N HA -0.288 4.453 4.740 0.002 0.000 0.230 136 N C 0.113 175.614 175.510 -0.016 0.000 0.891 136 N CA 1.628 54.667 53.050 -0.017 0.000 1.002 136 N CB -0.656 37.821 38.487 -0.017 0.000 1.063 136 N HN 0.843 nan 8.380 nan 0.000 0.601 137 N N -1.204 117.486 118.700 -0.018 0.000 2.862 137 N HA -0.163 4.578 4.740 0.002 0.000 0.248 137 N C 0.037 175.536 175.510 -0.019 0.000 1.116 137 N CA 1.176 54.215 53.050 -0.018 0.000 0.727 137 N CB -1.620 36.858 38.487 -0.015 0.000 1.083 137 N HN 0.723 nan 8.380 nan 0.000 0.555 138 E N -0.145 120.043 120.200 -0.020 0.000 2.152 138 E HA -0.037 4.314 4.350 0.002 0.000 0.192 138 E C 1.066 177.653 176.600 -0.022 0.000 0.983 138 E CA 1.450 57.838 56.400 -0.020 0.000 0.818 138 E CB 0.214 29.902 29.700 -0.019 0.000 0.758 138 E HN 0.607 nan 8.360 nan 0.000 0.467 139 T N -1.157 113.382 114.554 -0.025 0.000 2.907 139 T HA 0.465 4.816 4.350 0.002 0.000 0.292 139 T C -2.856 171.825 174.700 -0.031 0.000 1.043 139 T CA -2.466 59.617 62.100 -0.028 0.000 1.003 139 T CB 2.134 70.985 68.868 -0.029 0.000 1.084 139 T HN -0.319 nan 8.240 nan 0.000 0.483 140 P HA 0.364 nan 4.420 nan 0.000 0.272 140 P C 0.645 177.920 177.300 -0.042 0.000 1.240 140 P CA -0.122 62.954 63.100 -0.040 0.000 0.791 140 P CB 0.077 31.748 31.700 -0.048 0.000 0.978 141 G N 0.804 109.578 108.800 -0.042 0.000 2.716 141 G HA2 0.287 4.248 3.960 0.002 0.000 0.251 141 G HA3 0.287 4.248 3.960 0.002 0.000 0.251 141 G C -0.518 174.350 174.900 -0.055 0.000 1.224 141 G CA -0.284 44.794 45.100 -0.037 0.000 0.891 141 G HN 0.377 nan 8.290 nan 0.000 0.561 142 I N 1.260 121.811 120.570 -0.032 0.000 2.442 142 I HA 0.264 4.436 4.170 0.002 0.000 0.279 142 I C 0.760 176.816 176.117 -0.102 0.000 1.081 142 I CA -0.651 60.607 61.300 -0.071 0.000 1.197 142 I CB 0.167 38.199 38.000 0.053 0.000 1.394 142 I HN 0.403 nan 8.210 nan 0.000 0.488 143 R N 4.315 124.681 120.500 -0.224 0.000 2.641 143 R HA 0.489 4.831 4.340 0.002 0.000 0.269 143 R C -1.090 174.914 176.300 -0.493 0.000 1.074 143 R CA -0.062 55.872 56.100 -0.277 0.000 1.133 143 R CB 0.700 30.867 30.300 -0.221 0.000 1.029 143 R HN 0.279 nan 8.270 nan 0.000 0.488 144 Y N -0.983 118.918 120.300 -0.665 0.000 2.689 144 Y HA 0.294 4.845 4.550 0.002 0.000 0.333 144 Y C -0.224 175.354 175.900 -0.538 0.000 1.190 144 Y CA -0.855 56.855 58.100 -0.650 0.000 1.063 144 Y CB 2.107 40.044 38.460 -0.872 0.000 1.294 144 Y HN 0.513 nan 8.280 nan 0.000 0.466 145 Q N -0.176 119.532 119.800 -0.154 0.000 2.456 145 Q HA 0.490 4.831 4.340 0.002 0.000 0.284 145 Q C -2.207 173.760 176.000 -0.055 0.000 1.061 145 Q CA -0.814 54.955 55.803 -0.057 0.000 0.799 145 Q CB 2.240 30.939 28.738 -0.064 0.000 1.445 145 Q HN 0.683 nan 8.270 nan 0.000 0.411 146 Y N 1.605 121.912 120.300 0.012 0.000 2.342 146 Y HA 0.342 4.893 4.550 0.002 0.000 0.334 146 Y C 0.602 176.481 175.900 -0.035 0.000 1.067 146 Y CA -0.068 58.032 58.100 -0.001 0.000 1.128 146 Y CB 1.436 39.901 38.460 0.009 0.000 1.200 146 Y HN 0.693 nan 8.280 nan 0.000 0.464 147 N N 0.743 119.509 118.700 0.111 0.000 2.516 147 N HA 0.039 4.781 4.740 0.002 0.000 0.197 147 N C 0.175 175.751 175.510 0.110 0.000 1.064 147 N CA 0.514 53.607 53.050 0.071 0.000 0.866 147 N CB 0.219 38.717 38.487 0.018 0.000 1.255 147 N HN 0.390 nan 8.380 nan 0.000 0.447 148 V N -0.412 119.585 119.914 0.139 0.000 3.556 148 V HA 0.426 4.547 4.120 0.002 0.000 0.292 148 V C 0.608 176.845 176.094 0.237 0.000 1.030 148 V CA -0.977 61.432 62.300 0.181 0.000 1.009 148 V CB 0.404 32.312 31.823 0.142 0.000 1.242 148 V HN -0.075 nan 8.190 nan 0.000 0.431 149 L N 1.864 123.265 121.223 0.297 0.000 2.315 149 L HA 0.376 4.717 4.340 0.002 0.000 0.283 149 L C -2.305 174.699 176.870 0.223 0.000 1.089 149 L CA -1.434 53.529 54.840 0.206 0.000 0.833 149 L CB 0.817 42.971 42.059 0.159 0.000 1.170 149 L HN 0.482 nan 8.230 nan 0.000 0.442 150 P HA 0.016 nan 4.420 nan 0.000 0.267 150 P C -0.826 176.434 177.300 -0.065 0.000 1.209 150 P CA -0.107 62.791 63.100 -0.337 0.000 0.763 150 P CB 0.407 31.538 31.700 -0.948 0.000 0.816 151 Q N 2.118 122.023 119.800 0.175 0.000 2.337 151 Q HA 0.294 4.635 4.340 0.002 0.000 0.270 151 Q C 1.362 177.494 176.000 0.220 0.000 1.002 151 Q CA 0.812 56.699 55.803 0.140 0.000 0.888 151 Q CB 0.225 29.024 28.738 0.103 0.000 1.222 151 Q HN 0.840 nan 8.270 nan 0.000 0.400 152 G N 1.902 110.816 108.800 0.191 0.000 2.241 152 G HA2 -0.257 3.705 3.960 0.002 0.000 0.244 152 G HA3 -0.257 3.705 3.960 0.002 0.000 0.244 152 G C -0.460 174.585 174.900 0.241 0.000 0.998 152 G CA -0.116 45.158 45.100 0.290 0.000 0.621 152 G HN 0.663 nan 8.290 nan 0.000 0.519 153 W N 2.623 123.781 121.300 -0.236 0.000 2.216 153 W HA 0.642 5.303 4.660 0.002 0.000 0.326 153 W C 1.006 177.351 176.519 -0.290 0.000 1.319 153 W CA -0.453 56.638 57.345 -0.425 0.000 1.213 153 W CB 0.596 29.684 29.460 -0.620 0.000 1.171 153 W HN 0.042 nan 8.180 nan 0.000 0.557 154 K N 3.482 123.576 120.400 -0.511 0.000 2.476 154 K HA 0.103 4.424 4.320 0.002 0.000 0.196 154 K C 1.568 177.583 176.600 -0.975 0.000 1.025 154 K CA 0.487 56.400 56.287 -0.623 0.000 1.138 154 K CB 0.184 32.380 32.500 -0.507 0.000 0.860 154 K HN 0.711 nan 8.250 nan 0.000 0.515 155 G N -0.077 107.735 108.800 -1.646 0.000 2.641 155 G HA2 -0.108 3.853 3.960 0.002 0.000 0.207 155 G HA3 -0.108 3.853 3.960 0.002 0.000 0.207 155 G C 1.369 175.667 174.900 -1.003 0.000 1.137 155 G CA -0.105 43.855 45.100 -1.901 0.000 0.824 155 G HN 0.128 nan 8.290 nan 0.000 0.547 156 S N 2.012 117.311 115.700 -0.669 0.000 2.374 156 S HA -0.111 4.360 4.470 0.002 0.000 0.227 156 S C 0.262 174.596 174.600 -0.442 0.000 1.037 156 S CA 1.789 59.645 58.200 -0.574 0.000 1.024 156 S CB -0.901 61.605 63.200 -1.157 0.000 0.861 156 S HN 0.437 nan 8.310 nan 0.000 0.456 157 P HA 0.005 nan 4.420 nan 0.000 0.219 157 P C 1.257 178.569 177.300 0.021 0.000 1.150 157 P CA 1.441 64.595 63.100 0.089 0.000 0.814 157 P CB -0.033 31.645 31.700 -0.037 0.000 0.787 158 A N 0.471 123.193 122.820 -0.164 0.000 1.854 158 A HA -0.101 4.220 4.320 0.002 0.000 0.214 158 A C 2.297 179.847 177.584 -0.057 0.000 1.192 158 A CA 1.271 53.225 52.037 -0.137 0.000 0.611 158 A CB -1.346 17.502 19.000 -0.254 0.000 0.832 158 A HN -0.008 nan 8.150 nan 0.000 0.442 159 I N -1.332 119.195 120.570 -0.073 0.000 2.163 159 I HA -0.207 3.965 4.170 0.002 0.000 0.243 159 I C 2.294 178.485 176.117 0.124 0.000 1.085 159 I CA 1.466 62.779 61.300 0.021 0.000 1.347 159 I CB -1.452 36.584 38.000 0.058 0.000 1.044 159 I HN 0.427 nan 8.210 nan 0.000 0.408 160 F N 1.443 121.428 119.950 0.059 0.000 2.661 160 F HA -0.100 4.428 4.527 0.002 0.000 0.298 160 F C 2.534 178.375 175.800 0.069 0.000 1.137 160 F CA 0.713 58.786 58.000 0.122 0.000 1.454 160 F CB -0.317 38.852 39.000 0.281 0.000 1.103 160 F HN 0.138 nan 8.300 nan 0.000 0.577 161 Q N -0.285 119.570 119.800 0.091 0.000 2.268 161 Q HA -0.216 4.125 4.340 0.002 0.000 0.210 161 Q C 2.100 178.030 176.000 -0.116 0.000 0.988 161 Q CA 1.873 57.678 55.803 0.004 0.000 0.883 161 Q CB -0.074 28.672 28.738 0.012 0.000 0.911 161 Q HN 0.420 nan 8.270 nan 0.000 0.430 162 S N -0.077 115.532 115.700 -0.151 0.000 2.335 162 S HA -0.122 4.349 4.470 0.002 0.000 0.216 162 S C 1.987 176.430 174.600 -0.262 0.000 1.032 162 S CA 1.366 59.473 58.200 -0.155 0.000 1.000 162 S CB -0.273 62.862 63.200 -0.107 0.000 0.928 162 S HN 0.430 nan 8.310 nan 0.000 0.434 163 S N 1.461 116.870 115.700 -0.485 0.000 2.400 163 S HA -0.116 4.355 4.470 0.002 0.000 0.232 163 S C 1.861 176.109 174.600 -0.587 0.000 1.025 163 S CA 1.391 59.241 58.200 -0.584 0.000 0.993 163 S CB -0.369 62.291 63.200 -0.900 0.000 0.808 163 S HN 0.336 nan 8.310 nan 0.000 0.478 164 M N 2.333 121.494 119.600 -0.731 0.000 2.086 164 M HA -0.081 4.400 4.480 0.002 0.000 0.261 164 M C 1.993 178.204 176.300 -0.149 0.000 1.067 164 M CA 1.685 56.856 55.300 -0.215 0.000 1.116 164 M CB -1.567 31.085 32.600 0.086 0.000 1.348 164 M HN 0.209 nan 8.290 nan 0.000 0.407 165 T N 1.547 116.021 114.554 -0.133 0.000 2.685 165 T HA -0.251 4.101 4.350 0.002 0.000 0.268 165 T C 1.599 176.221 174.700 -0.130 0.000 1.034 165 T CA 2.161 64.204 62.100 -0.095 0.000 1.149 165 T CB -0.552 68.278 68.868 -0.062 0.000 0.860 165 T HN 0.651 nan 8.240 nan 0.000 0.449 166 K N 1.286 121.598 120.400 -0.146 0.000 2.116 166 K HA 0.101 4.422 4.320 0.002 0.000 0.203 166 K C 2.061 178.288 176.600 -0.621 0.000 1.052 166 K CA 1.048 57.226 56.287 -0.181 0.000 0.952 166 K CB -0.551 31.978 32.500 0.047 0.000 0.729 166 K HN 0.284 nan 8.250 nan 0.000 0.446 167 I N 1.636 121.822 120.570 -0.641 0.000 3.102 167 I HA -0.177 3.994 4.170 0.002 0.000 0.278 167 I C 1.598 177.189 176.117 -0.877 0.000 1.316 167 I CA 0.908 61.572 61.300 -1.060 0.000 1.425 167 I CB -0.296 37.504 38.000 -0.333 0.000 1.073 167 I HN 0.205 nan 8.210 nan 0.000 0.503 168 L N -1.255 119.650 121.223 -0.529 0.000 2.685 168 L HA 0.123 4.465 4.340 0.002 0.000 0.235 168 L C 2.235 179.048 176.870 -0.096 0.000 1.070 168 L CA -0.043 54.610 54.840 -0.311 0.000 0.888 168 L CB -0.364 41.584 42.059 -0.185 0.000 1.203 168 L HN -0.029 nan 8.230 nan 0.000 0.499 169 E N 1.504 121.638 120.200 -0.111 0.000 2.136 169 E HA -0.227 4.124 4.350 0.002 0.000 0.208 169 E C -0.581 176.062 176.600 0.071 0.000 1.035 169 E CA 1.954 58.350 56.400 -0.007 0.000 0.838 169 E CB -1.635 28.065 29.700 0.000 0.000 0.748 169 E HN 0.402 nan 8.360 nan 0.000 0.459 170 P HA -0.148 nan 4.420 nan 0.000 0.220 170 P C 1.503 178.942 177.300 0.231 0.000 1.148 170 P CA 1.070 64.277 63.100 0.178 0.000 0.803 170 P CB -0.133 31.688 31.700 0.203 0.000 0.782 171 F N 1.363 121.390 119.950 0.128 0.000 2.188 171 F HA 0.084 4.612 4.527 0.002 0.000 0.289 171 F C 2.305 178.115 175.800 0.016 0.000 1.082 171 F CA 1.175 59.225 58.000 0.083 0.000 1.282 171 F CB -0.296 38.710 39.000 0.010 0.000 1.060 171 F HN -0.303 nan 8.300 nan 0.000 0.493 172 K N 0.320 120.799 120.400 0.133 0.000 2.057 172 K HA -0.178 4.143 4.320 0.002 0.000 0.207 172 K C 1.945 178.534 176.600 -0.019 0.000 1.049 172 K CA 1.518 57.827 56.287 0.036 0.000 0.931 172 K CB -0.281 32.247 32.500 0.047 0.000 0.714 172 K HN 0.269 nan 8.250 nan 0.000 0.440 173 K N 0.942 121.342 120.400 -0.000 0.000 2.211 173 K HA -0.172 4.149 4.320 0.002 0.000 0.203 173 K C 2.257 178.833 176.600 -0.040 0.000 1.050 173 K CA 0.955 57.236 56.287 -0.009 0.000 0.945 173 K CB 0.040 32.548 32.500 0.013 0.000 0.732 173 K HN 0.232 nan 8.250 nan 0.000 0.451 174 Q N 0.960 120.714 119.800 -0.077 0.000 2.020 174 Q HA -0.047 4.294 4.340 0.002 0.000 0.198 174 Q C 0.029 175.931 176.000 -0.162 0.000 0.974 174 Q CA 0.983 56.712 55.803 -0.124 0.000 0.829 174 Q CB 0.405 29.036 28.738 -0.179 0.000 0.894 174 Q HN 0.233 nan 8.270 nan 0.000 0.433 175 N N 1.707 120.263 118.700 -0.240 0.000 3.112 175 N HA 0.166 4.907 4.740 0.002 0.000 0.270 175 N C -2.278 173.162 175.510 -0.116 0.000 1.385 175 N CA -0.970 51.960 53.050 -0.200 0.000 0.986 175 N CB 1.437 39.738 38.487 -0.310 0.000 1.261 175 N HN 0.338 nan 8.380 nan 0.000 0.495 176 P HA -0.120 nan 4.420 nan 0.000 0.228 176 P C 0.581 177.865 177.300 -0.027 0.000 1.151 176 P CA 1.027 64.104 63.100 -0.038 0.000 0.770 176 P CB 0.313 31.995 31.700 -0.029 0.000 0.786 177 D N -0.539 119.842 120.400 -0.032 0.000 2.355 177 D HA -0.016 4.625 4.640 0.002 0.000 0.218 177 D C 0.848 177.142 176.300 -0.009 0.000 1.004 177 D CA 0.103 54.091 54.000 -0.020 0.000 0.880 177 D CB -0.183 40.605 40.800 -0.021 0.000 0.911 177 D HN 0.254 nan 8.370 nan 0.000 0.528 178 I N 1.161 121.727 120.570 -0.007 0.000 2.428 178 I HA 0.170 4.342 4.170 0.002 0.000 0.296 178 I C -0.193 175.944 176.117 0.032 0.000 0.985 178 I CA -0.991 60.322 61.300 0.022 0.000 1.260 178 I CB 2.278 40.299 38.000 0.034 0.000 1.389 178 I HN -0.283 nan 8.210 nan 0.000 0.484 179 V N 7.112 127.051 119.914 0.042 0.000 2.483 179 V HA 0.475 4.596 4.120 0.002 0.000 0.295 179 V C -0.089 176.055 176.094 0.084 0.000 1.035 179 V CA -0.511 61.812 62.300 0.040 0.000 0.896 179 V CB 1.893 33.715 31.823 -0.001 0.000 0.986 179 V HN 0.463 nan 8.190 nan 0.000 0.447 180 I N 4.467 125.097 120.570 0.100 0.000 2.447 180 I HA 0.442 4.614 4.170 0.002 0.000 0.287 180 I C -1.274 174.971 176.117 0.215 0.000 1.023 180 I CA -0.575 60.812 61.300 0.146 0.000 1.083 180 I CB 1.846 39.910 38.000 0.105 0.000 1.245 180 I HN 0.607 nan 8.210 nan 0.000 0.434 181 Y N 5.824 126.189 120.300 0.108 0.000 2.587 181 Y HA 0.548 5.099 4.550 0.002 0.000 0.337 181 Y C -0.792 175.246 175.900 0.230 0.000 1.065 181 Y CA -1.006 57.166 58.100 0.120 0.000 1.126 181 Y CB 1.759 40.254 38.460 0.058 0.000 1.279 181 Y HN 0.508 nan 8.280 nan 0.000 0.489 182 Q N 4.115 123.610 119.800 -0.508 0.000 2.295 182 Q HA 0.275 4.616 4.340 0.002 0.000 0.259 182 Q C -2.519 173.187 176.000 -0.490 0.000 0.966 182 Q CA -0.657 54.974 55.803 -0.287 0.000 0.763 182 Q CB 1.514 30.185 28.738 -0.111 0.000 1.283 182 Q HN 0.777 nan 8.270 nan 0.000 0.445 183 Y N 6.564 126.731 120.300 -0.221 0.000 2.338 183 Y HA 0.385 4.936 4.550 0.002 0.000 0.333 183 Y C 0.168 176.152 175.900 0.140 0.000 0.968 183 Y CA -0.259 57.792 58.100 -0.081 0.000 1.123 183 Y CB 0.916 39.398 38.460 0.036 0.000 1.165 183 Y HN 0.878 nan 8.280 nan 0.000 0.452 184 M N 1.450 120.905 119.600 -0.242 0.000 7.319 184 M HA -0.354 4.127 4.480 0.002 0.000 0.235 184 M C 0.292 176.687 176.300 0.159 0.000 0.480 184 M CA 1.978 57.290 55.300 0.021 0.000 1.311 184 M CB -1.334 31.439 32.600 0.289 0.000 0.421 184 M HN 0.763 nan 8.290 nan 0.000 0.637 185 D N 1.397 121.917 120.400 0.199 0.000 2.325 185 D HA 0.174 4.815 4.640 0.002 0.000 0.234 185 D C -0.222 176.065 176.300 -0.022 0.000 1.122 185 D CA 0.319 54.348 54.000 0.047 0.000 0.850 185 D CB -0.189 40.630 40.800 0.030 0.000 0.921 185 D HN 0.341 nan 8.370 nan 0.000 0.513 186 D N 0.982 121.435 120.400 0.089 0.000 2.256 186 D HA 0.304 4.945 4.640 0.002 0.000 0.246 186 D C -0.522 175.778 176.300 -0.000 0.000 1.042 186 D CA -0.608 53.404 54.000 0.021 0.000 0.841 186 D CB 2.700 43.563 40.800 0.105 0.000 1.223 186 D HN -0.063 nan 8.370 nan 0.000 0.470 187 L N 3.383 124.539 121.223 -0.111 0.000 2.316 187 L HA 0.281 4.622 4.340 0.002 0.000 0.280 187 L C -1.444 175.408 176.870 -0.029 0.000 1.006 187 L CA -0.555 54.267 54.840 -0.029 0.000 0.836 187 L CB 0.538 42.548 42.059 -0.083 0.000 1.221 187 L HN 0.225 nan 8.230 nan 0.000 0.418 188 Y N 4.359 124.728 120.300 0.115 0.000 2.404 188 Y HA 0.501 5.052 4.550 0.002 0.000 0.344 188 Y C -0.037 175.943 175.900 0.133 0.000 0.970 188 Y CA -0.620 57.580 58.100 0.166 0.000 1.180 188 Y CB 1.251 39.875 38.460 0.274 0.000 1.138 188 Y HN 0.210 nan 8.280 nan 0.000 0.510 189 V N 3.707 123.746 119.914 0.208 0.000 2.350 189 V HA 0.740 4.861 4.120 0.002 0.000 0.285 189 V C 0.317 176.519 176.094 0.180 0.000 1.014 189 V CA -0.721 61.671 62.300 0.153 0.000 0.831 189 V CB 1.277 33.143 31.823 0.071 0.000 1.000 189 V HN 0.901 nan 8.190 nan 0.000 0.433 190 G N 2.999 111.900 108.800 0.168 0.000 2.482 190 G HA2 0.786 4.747 3.960 0.002 0.000 0.317 190 G HA3 0.786 4.747 3.960 0.002 0.000 0.317 190 G C -0.451 174.546 174.900 0.162 0.000 1.241 190 G CA -0.115 45.087 45.100 0.170 0.000 0.967 190 G HN 0.856 nan 8.290 nan 0.000 0.482 191 S N -0.499 115.320 115.700 0.199 0.000 2.851 191 S HA 0.626 5.097 4.470 0.002 0.000 0.313 191 S C -0.844 173.783 174.600 0.045 0.000 1.163 191 S CA -0.730 57.554 58.200 0.141 0.000 0.850 191 S CB 2.448 65.795 63.200 0.246 0.000 1.245 191 S HN 0.323 nan 8.310 nan 0.000 0.558 192 D N 0.310 120.733 120.400 0.039 0.000 2.650 192 D HA 0.406 5.047 4.640 0.002 0.000 0.265 192 D C 0.150 176.455 176.300 0.008 0.000 1.339 192 D CA 0.004 54.003 54.000 -0.002 0.000 0.816 192 D CB 0.217 41.011 40.800 -0.009 0.000 1.091 192 D HN 0.407 nan 8.370 nan 0.000 0.483 193 L N -0.109 121.141 121.223 0.045 0.000 2.891 193 L HA 0.418 4.760 4.340 0.002 0.000 0.216 193 L C 0.534 177.420 176.870 0.028 0.000 1.209 193 L CA -0.915 53.956 54.840 0.053 0.000 0.957 193 L CB 0.237 42.360 42.059 0.107 0.000 1.876 193 L HN -0.290 nan 8.230 nan 0.000 0.532 194 E N 0.153 120.379 120.200 0.044 0.000 2.301 194 E HA 0.169 4.520 4.350 0.002 0.000 0.275 194 E C 0.699 177.335 176.600 0.060 0.000 1.030 194 E CA -0.033 56.384 56.400 0.028 0.000 0.852 194 E CB 1.249 30.965 29.700 0.027 0.000 1.060 194 E HN 0.456 nan 8.360 nan 0.000 0.401 195 I N 1.731 122.318 120.570 0.029 0.000 2.300 195 I HA -0.281 3.891 4.170 0.002 0.000 0.252 195 I C 1.471 177.655 176.117 0.110 0.000 1.119 195 I CA 1.976 63.311 61.300 0.059 0.000 1.384 195 I CB 0.076 38.093 38.000 0.028 0.000 1.062 195 I HN 0.653 nan 8.210 nan 0.000 0.426 196 G N -0.627 108.219 108.800 0.076 0.000 2.426 196 G HA2 -0.249 3.713 3.960 0.002 0.000 0.214 196 G HA3 -0.249 3.713 3.960 0.002 0.000 0.214 196 G C 1.484 176.433 174.900 0.082 0.000 1.156 196 G CA 0.528 45.670 45.100 0.071 0.000 0.802 196 G HN 0.531 nan 8.290 nan 0.000 0.534 197 Q N -0.664 119.187 119.800 0.085 0.000 2.444 197 Q HA 0.005 4.346 4.340 0.002 0.000 0.206 197 Q C 1.892 177.961 176.000 0.115 0.000 0.948 197 Q CA 0.467 56.318 55.803 0.080 0.000 0.946 197 Q CB -0.062 28.712 28.738 0.061 0.000 1.027 197 Q HN 0.660 nan 8.270 nan 0.000 0.513 198 H N 0.210 119.299 119.070 0.032 0.000 2.355 198 H HA 0.065 4.622 4.556 0.002 0.000 0.303 198 H C 1.659 177.014 175.328 0.046 0.000 1.061 198 H CA 1.343 57.413 56.048 0.037 0.000 1.368 198 H CB 0.347 30.127 29.762 0.029 0.000 1.412 198 H HN 0.099 nan 8.280 nan 0.000 0.523 199 R N 0.187 120.735 120.500 0.080 0.000 2.117 199 R HA -0.122 4.220 4.340 0.002 0.000 0.243 199 R C 2.061 178.361 176.300 0.001 0.000 1.143 199 R CA 1.446 57.558 56.100 0.020 0.000 0.968 199 R CB -1.478 28.858 30.300 0.061 0.000 0.863 199 R HN 0.398 nan 8.270 nan 0.000 0.444 200 T N 1.950 116.521 114.554 0.029 0.000 2.452 200 T HA -0.191 4.160 4.350 0.002 0.000 0.251 200 T C 1.713 176.446 174.700 0.055 0.000 1.232 200 T CA 1.771 63.897 62.100 0.043 0.000 1.226 200 T CB -0.263 68.635 68.868 0.049 0.000 0.864 200 T HN 0.300 nan 8.240 nan 0.000 0.399 201 K N 0.458 120.894 120.400 0.059 0.000 2.374 201 K HA -0.112 4.209 4.320 0.002 0.000 0.202 201 K C 2.110 178.830 176.600 0.200 0.000 1.044 201 K CA 1.062 57.440 56.287 0.152 0.000 0.933 201 K CB -0.413 32.145 32.500 0.097 0.000 0.745 201 K HN 0.455 nan 8.250 nan 0.000 0.474 202 I N 0.306 120.884 120.570 0.014 0.000 2.339 202 I HA -0.157 4.014 4.170 0.002 0.000 0.245 202 I C 2.099 178.201 176.117 -0.026 0.000 1.096 202 I CA 0.604 61.874 61.300 -0.050 0.000 1.408 202 I CB -0.133 37.788 38.000 -0.130 0.000 1.092 202 I HN 0.031 nan 8.210 nan 0.000 0.423 203 E N 1.244 121.454 120.200 0.017 0.000 2.267 203 E HA -0.220 4.131 4.350 0.002 0.000 0.197 203 E C 1.868 178.496 176.600 0.047 0.000 0.998 203 E CA 1.109 57.531 56.400 0.037 0.000 0.830 203 E CB -0.141 29.593 29.700 0.056 0.000 0.751 203 E HN 0.558 nan 8.360 nan 0.000 0.491 204 E N -0.266 119.987 120.200 0.087 0.000 2.216 204 E HA -0.105 4.246 4.350 0.002 0.000 0.192 204 E C 1.758 178.348 176.600 -0.017 0.000 0.988 204 E CA 0.142 56.638 56.400 0.160 0.000 0.834 204 E CB 0.056 29.987 29.700 0.385 0.000 0.772 204 E HN 0.054 nan 8.360 nan 0.000 0.479 205 L N 0.715 121.782 121.223 -0.260 0.000 2.492 205 L HA 0.006 4.347 4.340 0.002 0.000 0.223 205 L C 1.848 178.524 176.870 -0.322 0.000 1.132 205 L CA 1.164 55.621 54.840 -0.638 0.000 0.850 205 L CB 0.021 41.679 42.059 -0.668 0.000 0.966 205 L HN -0.092 nan 8.230 nan 0.000 0.454 206 R N -1.627 118.795 120.500 -0.130 0.000 2.087 206 R HA 0.003 4.344 4.340 0.002 0.000 0.216 206 R C 1.946 178.255 176.300 0.014 0.000 1.114 206 R CA 0.596 56.666 56.100 -0.051 0.000 1.002 206 R CB -0.229 30.074 30.300 0.006 0.000 0.903 206 R HN 0.176 nan 8.270 nan 0.000 0.445 207 Q N 0.248 120.075 119.800 0.045 0.000 2.439 207 Q HA -0.181 4.160 4.340 0.002 0.000 0.211 207 Q C 1.429 177.512 176.000 0.139 0.000 0.978 207 Q CA 1.589 57.441 55.803 0.080 0.000 0.897 207 Q CB -0.162 28.623 28.738 0.079 0.000 0.956 207 Q HN 0.532 nan 8.270 nan 0.000 0.483 208 H N -1.667 117.399 119.070 -0.006 0.000 2.388 208 H HA 0.149 4.707 4.556 0.002 0.000 0.304 208 H C 1.427 176.788 175.328 0.055 0.000 1.049 208 H CA 0.434 56.500 56.048 0.031 0.000 1.371 208 H CB 0.176 29.889 29.762 -0.082 0.000 1.436 208 H HN 0.230 nan 8.280 nan 0.000 0.544 209 L N 1.186 122.460 121.223 0.084 0.000 2.456 209 L HA -0.112 4.229 4.340 0.002 0.000 0.224 209 L C 2.316 179.260 176.870 0.124 0.000 1.148 209 L CA 0.306 55.166 54.840 0.034 0.000 0.825 209 L CB -0.126 41.863 42.059 -0.118 0.000 0.937 209 L HN 0.436 nan 8.230 nan 0.000 0.450 210 L N 0.480 121.782 121.223 0.131 0.000 2.007 210 L HA -0.179 4.162 4.340 0.002 0.000 0.205 210 L C 3.046 179.997 176.870 0.135 0.000 1.073 210 L CA 1.232 56.134 54.840 0.104 0.000 0.744 210 L CB -0.191 41.914 42.059 0.076 0.000 0.898 210 L HN 0.294 nan 8.230 nan 0.000 0.435 211 R N -1.257 119.344 120.500 0.168 0.000 2.115 211 R HA -0.208 4.133 4.340 0.002 0.000 0.230 211 R C 1.716 178.097 176.300 0.136 0.000 1.111 211 R CA 1.597 57.770 56.100 0.122 0.000 0.976 211 R CB -1.014 29.338 30.300 0.087 0.000 0.870 211 R HN 0.381 nan 8.270 nan 0.000 0.445 212 W N 1.129 122.481 121.300 0.085 0.000 3.077 212 W HA 0.200 4.862 4.660 0.002 0.000 0.245 212 W C 1.211 177.778 176.519 0.080 0.000 1.316 212 W CA 1.335 58.735 57.345 0.093 0.000 1.537 212 W CB 0.633 30.180 29.460 0.144 0.000 1.131 212 W HN 0.581 nan 8.180 nan 0.000 0.695 213 G N -0.581 108.360 108.800 0.235 0.000 1.838 213 G HA2 -0.144 3.817 3.960 0.002 0.000 0.067 213 G HA3 -0.144 3.817 3.960 0.002 0.000 0.067 213 G C 0.122 175.083 174.900 0.101 0.000 1.666 213 G CA -0.352 44.843 45.100 0.160 0.000 1.135 213 G HN 0.120 nan 8.290 nan 0.000 0.333 228 L N 1.587 122.903 121.223 0.156 0.000 2.627 228 L HA 0.049 4.391 4.340 0.002 0.000 0.233 228 L C 0.931 177.924 176.870 0.205 0.000 1.144 228 L CA 0.244 55.129 54.840 0.074 0.000 0.892 228 L CB -0.071 41.991 42.059 0.005 0.000 1.039 228 L HN 0.786 nan 8.230 nan 0.000 0.442 229 W N 0.151 121.482 121.300 0.051 0.000 2.817 229 W HA 0.422 5.083 4.660 0.002 0.000 0.433 229 W C -0.676 175.883 176.519 0.067 0.000 0.838 229 W CA -1.061 56.311 57.345 0.044 0.000 2.356 229 W CB -0.348 29.137 29.460 0.043 0.000 1.216 229 W HN -0.021 nan 8.180 nan 0.000 0.793 230 M N 2.324 121.884 119.600 -0.067 0.000 2.190 230 M HA 0.653 5.134 4.480 0.002 0.000 0.312 230 M C -0.530 175.727 176.300 -0.072 0.000 0.990 230 M CA 0.030 55.226 55.300 -0.173 0.000 0.927 230 M CB 1.690 34.278 32.600 -0.021 0.000 1.571 230 M HN 0.132 nan 8.290 nan 0.000 0.427 231 G N 2.693 111.444 108.800 -0.082 0.000 2.690 231 G HA2 0.582 4.544 3.960 0.002 0.000 0.293 231 G HA3 0.582 4.544 3.960 0.002 0.000 0.293 231 G C -2.757 172.194 174.900 0.086 0.000 1.399 231 G CA -0.293 44.803 45.100 -0.007 0.000 0.890 231 G HN 0.588 nan 8.290 nan 0.000 0.485 232 Y N 0.794 121.063 120.300 -0.052 0.000 2.562 232 Y HA 0.597 5.148 4.550 0.002 0.000 0.343 232 Y C -0.573 175.325 175.900 -0.003 0.000 1.025 232 Y CA -1.480 56.604 58.100 -0.026 0.000 1.082 232 Y CB 2.116 40.572 38.460 -0.006 0.000 1.264 232 Y HN 0.561 nan 8.280 nan 0.000 0.478 233 E N 5.476 125.378 120.200 -0.497 0.000 2.145 233 E HA 0.426 4.778 4.350 0.002 0.000 0.270 233 E C -1.675 174.524 176.600 -0.668 0.000 0.906 233 E CA -0.355 55.785 56.400 -0.433 0.000 0.761 233 E CB 1.471 30.998 29.700 -0.289 0.000 1.116 233 E HN 0.642 nan 8.360 nan 0.000 0.408 234 L N 2.211 123.086 121.223 -0.581 0.000 2.271 234 L HA 0.518 4.860 4.340 0.002 0.000 0.265 234 L C -0.024 176.238 176.870 -1.013 0.000 1.013 234 L CA -1.135 53.365 54.840 -0.567 0.000 0.820 234 L CB 1.559 43.541 42.059 -0.130 0.000 1.352 234 L HN 0.559 nan 8.230 nan 0.000 0.443 235 H N -0.049 118.772 119.070 -0.414 0.000 2.596 235 H HA 0.172 4.729 4.556 0.002 0.000 0.240 235 H C -2.236 172.547 175.328 -0.909 0.000 1.406 235 H CA -1.443 54.306 56.048 -0.498 0.000 1.504 235 H CB 0.956 30.533 29.762 -0.308 0.000 1.688 235 H HN 0.241 nan 8.280 nan 0.000 0.546 236 P HA -0.131 nan 4.420 nan 0.000 0.231 236 P C 0.907 177.874 177.300 -0.555 0.000 1.154 236 P CA 1.165 63.544 63.100 -1.201 0.000 0.762 236 P CB 0.425 31.726 31.700 -0.665 0.000 0.790 237 D N -0.517 119.652 120.400 -0.385 0.000 2.240 237 D HA -0.025 4.616 4.640 0.002 0.000 0.206 237 D C 0.880 177.116 176.300 -0.107 0.000 0.963 237 D CA 0.770 54.664 54.000 -0.176 0.000 0.863 237 D CB -0.121 40.600 40.800 -0.132 0.000 0.973 237 D HN 0.311 nan 8.370 nan 0.000 0.501 238 K N 0.571 120.871 120.400 -0.167 0.000 2.968 238 K HA 0.051 4.372 4.320 0.002 0.000 0.249 238 K C -0.447 176.322 176.600 0.281 0.000 1.062 238 K CA -0.077 56.218 56.287 0.014 0.000 1.215 238 K CB -0.001 32.511 32.500 0.019 0.000 1.097 238 K HN 0.053 nan 8.250 nan 0.000 0.462 239 W N 1.527 122.855 121.300 0.048 0.000 2.517 239 W HA 0.168 4.829 4.660 0.002 0.000 0.301 239 W C 0.133 176.678 176.519 0.042 0.000 1.002 239 W CA -1.139 56.239 57.345 0.055 0.000 1.415 239 W CB 0.427 29.908 29.460 0.035 0.000 1.275 239 W HN 0.028 nan 8.180 nan 0.000 0.413 240 T N -1.989 112.715 114.554 0.251 0.000 2.645 240 T HA 0.708 5.059 4.350 0.002 0.000 0.273 240 T C -0.971 173.814 174.700 0.143 0.000 0.960 240 T CA -0.812 61.390 62.100 0.170 0.000 1.051 240 T CB 2.027 70.975 68.868 0.133 0.000 1.366 240 T HN -0.167 nan 8.240 nan 0.000 0.536 241 V N 2.695 122.689 119.914 0.133 0.000 2.304 241 V HA 0.330 4.451 4.120 0.002 0.000 0.269 241 V C -0.196 175.977 176.094 0.132 0.000 1.036 241 V CA -0.660 61.719 62.300 0.132 0.000 0.840 241 V CB 0.697 32.606 31.823 0.143 0.000 1.036 241 V HN 0.734 nan 8.190 nan 0.000 0.466 242 Q N 5.913 125.785 119.800 0.120 0.000 2.349 242 Q HA 0.197 4.538 4.340 0.002 0.000 0.287 242 Q C -2.041 174.048 176.000 0.149 0.000 1.044 242 Q CA -1.449 54.427 55.803 0.123 0.000 0.918 242 Q CB -0.059 28.743 28.738 0.107 0.000 1.242 242 Q HN 0.472 nan 8.270 nan 0.000 0.405 243 P HA 0.196 nan 4.420 nan 0.000 0.272 243 P C -0.211 177.156 177.300 0.113 0.000 1.223 243 P CA -0.194 62.975 63.100 0.114 0.000 0.784 243 P CB 0.606 32.355 31.700 0.082 0.000 0.923 244 I N 1.438 122.053 120.570 0.074 0.000 2.472 244 I HA 0.268 4.440 4.170 0.002 0.000 0.290 244 I C 0.262 176.397 176.117 0.030 0.000 1.016 244 I CA -0.669 60.674 61.300 0.072 0.000 1.348 244 I CB 1.143 39.138 38.000 -0.009 0.000 1.417 244 I HN 0.133 nan 8.210 nan 0.000 0.521 245 V N 5.234 125.183 119.914 0.058 0.000 2.638 245 V HA 0.555 4.676 4.120 0.002 0.000 0.306 245 V C -0.606 175.520 176.094 0.053 0.000 1.052 245 V CA -0.853 61.473 62.300 0.043 0.000 0.885 245 V CB 1.623 33.477 31.823 0.052 0.000 0.999 245 V HN 0.504 nan 8.190 nan 0.000 0.424 246 L N 4.288 125.541 121.223 0.050 0.000 2.357 246 L HA 0.622 4.963 4.340 0.002 0.000 0.273 246 L C -1.942 175.001 176.870 0.122 0.000 1.080 246 L CA -1.626 53.269 54.840 0.092 0.000 0.803 246 L CB 1.039 43.145 42.059 0.078 0.000 1.174 246 L HN 0.459 nan 8.230 nan 0.000 0.443 247 P HA 0.095 nan 4.420 nan 0.000 0.271 247 P C -1.008 176.389 177.300 0.162 0.000 1.233 247 P CA -0.257 62.903 63.100 0.101 0.000 0.789 247 P CB 0.501 32.195 31.700 -0.010 0.000 0.951 248 E N 0.536 120.766 120.200 0.049 0.000 2.402 248 E HA 0.225 4.576 4.350 0.002 0.000 0.244 248 E C -1.114 175.472 176.600 -0.024 0.000 0.945 248 E CA -0.607 55.851 56.400 0.097 0.000 0.774 248 E CB 0.257 29.993 29.700 0.062 0.000 1.296 248 E HN 0.219 nan 8.360 nan 0.000 0.414 249 K N 2.463 122.819 120.400 -0.072 0.000 2.328 249 K HA 0.433 4.754 4.320 0.002 0.000 0.246 249 K C -0.413 176.162 176.600 -0.042 0.000 0.955 249 K CA -0.988 55.115 56.287 -0.307 0.000 0.817 249 K CB 1.603 33.519 32.500 -0.974 0.000 1.208 249 K HN 0.157 nan 8.250 nan 0.000 0.432 250 D N 0.167 120.530 120.400 -0.061 0.000 2.366 250 D HA -0.029 4.612 4.640 0.002 0.000 0.205 250 D C -0.138 176.207 176.300 0.076 0.000 1.022 250 D CA 0.829 54.862 54.000 0.055 0.000 0.868 250 D CB 0.698 41.510 40.800 0.019 0.000 0.953 250 D HN 0.376 nan 8.370 nan 0.000 0.514 251 S N 0.265 115.932 115.700 -0.056 0.000 2.789 251 S HA 0.368 4.840 4.470 0.002 0.000 0.286 251 S C -1.645 172.889 174.600 -0.110 0.000 1.153 251 S CA -0.763 57.435 58.200 -0.002 0.000 1.084 251 S CB 0.055 63.237 63.200 -0.029 0.000 1.036 251 S HN -0.037 nan 8.310 nan 0.000 0.484 252 W N 3.380 124.680 121.300 -0.001 0.000 2.390 252 W HA 0.497 5.158 4.660 0.001 0.000 0.312 252 W C 1.021 177.540 176.519 0.001 0.000 1.123 252 W CA -0.530 56.816 57.345 0.000 0.000 1.202 252 W CB 1.262 30.722 29.460 0.000 0.000 1.251 252 W HN 0.668 nan 8.180 nan 0.000 0.511 253 T N -1.693 112.965 114.554 0.175 0.000 2.912 253 T HA 0.285 4.636 4.350 0.002 0.000 0.280 253 T C 0.788 175.572 174.700 0.140 0.000 0.989 253 T CA -0.765 61.405 62.100 0.116 0.000 0.995 253 T CB 1.229 70.127 68.868 0.050 0.000 1.077 253 T HN 0.204 nan 8.240 nan 0.000 0.531 254 V N 1.520 121.489 119.914 0.092 0.000 2.490 254 V HA -0.143 3.978 4.120 0.002 0.000 0.250 254 V C 2.804 178.948 176.094 0.084 0.000 1.061 254 V CA 2.044 64.392 62.300 0.080 0.000 1.064 254 V CB -1.164 30.689 31.823 0.051 0.000 0.670 254 V HN 0.962 nan 8.190 nan 0.000 0.461 255 N N 0.072 118.816 118.700 0.073 0.000 2.092 255 N HA -0.188 4.553 4.740 0.002 0.000 0.189 255 N C 1.567 177.137 175.510 0.101 0.000 1.040 255 N CA 1.608 54.698 53.050 0.066 0.000 0.845 255 N CB -0.058 38.452 38.487 0.039 0.000 1.017 255 N HN 0.395 nan 8.380 nan 0.000 0.426 256 D N 1.254 121.722 120.400 0.113 0.000 2.157 256 D HA -0.189 4.452 4.640 0.002 0.000 0.191 256 D C 2.018 178.510 176.300 0.319 0.000 1.004 256 D CA 0.942 55.046 54.000 0.174 0.000 0.854 256 D CB -0.319 40.558 40.800 0.128 0.000 0.936 256 D HN 0.364 nan 8.370 nan 0.000 0.446 257 I N 0.622 121.378 120.570 0.310 0.000 2.315 257 I HA -0.180 3.992 4.170 0.002 0.000 0.248 257 I C 2.434 178.627 176.117 0.125 0.000 1.117 257 I CA 0.918 62.342 61.300 0.206 0.000 1.404 257 I CB -1.100 36.964 38.000 0.107 0.000 1.071 257 I HN 0.091 nan 8.210 nan 0.000 0.419 258 Q N 0.791 120.659 119.800 0.113 0.000 2.096 258 Q HA -0.205 4.136 4.340 0.002 0.000 0.204 258 Q C 2.274 178.343 176.000 0.115 0.000 0.982 258 Q CA 1.697 57.555 55.803 0.091 0.000 0.850 258 Q CB 0.101 28.884 28.738 0.075 0.000 0.901 258 Q HN 0.461 nan 8.270 nan 0.000 0.422 259 K N 0.001 120.484 120.400 0.138 0.000 2.031 259 K HA -0.150 4.171 4.320 0.002 0.000 0.205 259 K C 2.076 178.786 176.600 0.183 0.000 1.049 259 K CA 0.877 57.267 56.287 0.171 0.000 0.939 259 K CB -0.310 32.278 32.500 0.147 0.000 0.717 259 K HN 0.108 nan 8.250 nan 0.000 0.438 260 L N 1.674 123.008 121.223 0.185 0.000 1.978 260 L HA -0.220 4.121 4.340 0.002 0.000 0.218 260 L C 2.098 179.007 176.870 0.065 0.000 1.075 260 L CA 1.694 56.627 54.840 0.156 0.000 0.767 260 L CB -0.713 41.464 42.059 0.198 0.000 0.890 260 L HN -0.075 nan 8.230 nan 0.000 0.434 261 V N 0.326 120.268 119.914 0.047 0.000 2.392 261 V HA -0.254 3.867 4.120 0.002 0.000 0.249 261 V C 2.615 178.720 176.094 0.018 0.000 1.059 261 V CA 1.798 64.103 62.300 0.009 0.000 1.051 261 V CB -1.610 30.220 31.823 0.011 0.000 0.658 261 V HN 0.697 nan 8.190 nan 0.000 0.455 262 G N -0.641 108.213 108.800 0.091 0.000 2.421 262 G HA2 -0.302 3.659 3.960 0.002 0.000 0.216 262 G HA3 -0.302 3.659 3.960 0.002 0.000 0.216 262 G C 1.643 176.509 174.900 -0.055 0.000 1.171 262 G CA 1.033 46.227 45.100 0.156 0.000 0.775 262 G HN 0.498 nan 8.290 nan 0.000 0.543 263 K N -0.055 120.278 120.400 -0.111 0.000 2.057 263 K HA 0.098 4.420 4.320 0.002 0.000 0.206 263 K C 2.488 178.908 176.600 -0.300 0.000 1.050 263 K CA 0.683 56.653 56.287 -0.529 0.000 0.935 263 K CB -0.245 32.142 32.500 -0.189 0.000 0.715 263 K HN 0.327 nan 8.250 nan 0.000 0.439 264 L N 0.905 122.031 121.223 -0.162 0.000 2.141 264 L HA -0.154 4.187 4.340 0.002 0.000 0.209 264 L C 2.247 179.006 176.870 -0.185 0.000 1.094 264 L CA 1.095 55.841 54.840 -0.156 0.000 0.763 264 L CB -0.592 41.397 42.059 -0.117 0.000 0.908 264 L HN 0.321 nan 8.230 nan 0.000 0.437 265 N N -0.035 118.566 118.700 -0.165 0.000 2.120 265 N HA -0.270 4.471 4.740 0.002 0.000 0.188 265 N C 1.718 177.109 175.510 -0.199 0.000 1.024 265 N CA 1.442 54.405 53.050 -0.144 0.000 0.852 265 N CB -0.258 38.185 38.487 -0.074 0.000 1.003 265 N HN 0.419 nan 8.380 nan 0.000 0.424 266 W N 0.954 121.919 121.300 -0.558 0.000 2.407 266 W HA 0.153 4.814 4.660 0.002 0.000 0.305 266 W C 2.085 178.314 176.519 -0.483 0.000 1.196 266 W CA 1.838 58.800 57.345 -0.638 0.000 1.311 266 W CB -0.758 27.911 29.460 -1.318 0.000 1.135 266 W HN 0.096 nan 8.180 nan 0.000 0.514 267 A N 0.403 122.826 122.820 -0.662 0.000 2.172 267 A HA -0.127 4.194 4.320 0.002 0.000 0.216 267 A C 2.085 179.350 177.584 -0.531 0.000 1.154 267 A CA 1.981 53.500 52.037 -0.862 0.000 0.701 267 A CB -1.373 17.312 19.000 -0.524 0.000 0.789 267 A HN 0.442 nan 8.150 nan 0.000 0.465 268 S N 0.629 116.086 115.700 -0.405 0.000 2.402 268 S HA -0.231 4.241 4.470 0.002 0.000 0.229 268 S C 1.742 176.145 174.600 -0.328 0.000 1.021 268 S CA 1.128 59.162 58.200 -0.276 0.000 0.974 268 S CB -0.581 62.491 63.200 -0.213 0.000 0.800 268 S HN 0.815 nan 8.310 nan 0.000 0.484 269 Q N 0.024 119.513 119.800 -0.517 0.000 2.329 269 Q HA 0.345 4.686 4.340 0.002 0.000 0.208 269 Q C 1.242 176.793 176.000 -0.749 0.000 0.934 269 Q CA 0.318 55.736 55.803 -0.643 0.000 0.951 269 Q CB -0.316 27.919 28.738 -0.838 0.000 1.017 269 Q HN 0.654 nan 8.270 nan 0.000 0.490 270 I N -1.348 118.923 120.570 -0.498 0.000 4.530 270 I HA 0.164 4.335 4.170 0.002 0.000 0.318 270 I C -0.487 175.524 176.117 -0.177 0.000 1.257 270 I CA -0.219 60.895 61.300 -0.311 0.000 1.301 270 I CB 0.971 38.819 38.000 -0.253 0.000 1.297 270 I HN 0.043 nan 8.210 nan 0.000 0.451 271 Y N 1.172 121.307 120.300 -0.275 0.000 2.350 271 Y HA 0.355 4.907 4.550 0.002 0.000 0.338 271 Y C -1.983 173.816 175.900 -0.168 0.000 0.961 271 Y CA -2.479 55.515 58.100 -0.176 0.000 1.100 271 Y CB 0.884 39.248 38.460 -0.160 0.000 1.179 271 Y HN -0.180 nan 8.280 nan 0.000 0.454 272 P HA -0.083 nan 4.420 nan 0.000 0.208 272 P C 1.509 178.794 177.300 -0.025 0.000 1.203 272 P CA 1.930 65.009 63.100 -0.034 0.000 0.920 272 P CB 0.146 31.826 31.700 -0.033 0.000 0.769 273 G N 0.152 108.948 108.800 -0.005 0.000 2.724 273 G HA2 -0.185 3.776 3.960 0.002 0.000 0.213 273 G HA3 -0.185 3.776 3.960 0.002 0.000 0.213 273 G C 0.465 175.345 174.900 -0.033 0.000 1.137 273 G CA 0.127 45.218 45.100 -0.016 0.000 0.745 273 G HN 0.194 nan 8.290 nan 0.000 0.567 274 I N 1.254 121.795 120.570 -0.048 0.000 2.494 274 I HA 0.139 4.310 4.170 0.002 0.000 0.289 274 I C 0.092 176.161 176.117 -0.079 0.000 1.106 274 I CA 0.179 61.431 61.300 -0.080 0.000 1.369 274 I CB 0.428 38.357 38.000 -0.118 0.000 1.410 274 I HN -0.045 nan 8.210 nan 0.000 0.523 275 K N 6.025 126.381 120.400 -0.074 0.000 2.164 275 K HA 0.455 4.777 4.320 0.002 0.000 0.258 275 K C 0.575 177.131 176.600 -0.075 0.000 0.951 275 K CA -0.413 55.834 56.287 -0.067 0.000 0.844 275 K CB 2.962 35.428 32.500 -0.058 0.000 1.099 275 K HN 0.456 nan 8.250 nan 0.000 0.435 276 V N -0.955 118.918 119.914 -0.068 0.000 3.451 276 V HA 0.163 4.284 4.120 0.002 0.000 0.288 276 V C 1.922 177.981 176.094 -0.059 0.000 1.502 276 V CA -0.181 62.078 62.300 -0.068 0.000 1.026 276 V CB 0.163 31.948 31.823 -0.063 0.000 0.840 276 V HN 0.700 nan 8.190 nan 0.000 0.437 277 R N 0.981 121.450 120.500 -0.052 0.000 2.154 277 R HA -0.252 4.090 4.340 0.002 0.000 0.236 277 R C 2.344 178.615 176.300 -0.049 0.000 1.121 277 R CA 2.920 58.994 56.100 -0.044 0.000 0.915 277 R CB -0.359 29.917 30.300 -0.040 0.000 0.856 277 R HN 0.578 nan 8.270 nan 0.000 0.431 278 Q N 0.364 120.131 119.800 -0.056 0.000 2.135 278 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 278 Q C 2.363 178.317 176.000 -0.078 0.000 0.981 278 Q CA 1.375 57.140 55.803 -0.063 0.000 0.856 278 Q CB -0.387 28.311 28.738 -0.067 0.000 0.902 278 Q HN 0.463 nan 8.270 nan 0.000 0.425 279 L N 0.872 122.039 121.223 -0.092 0.000 2.017 279 L HA -0.193 4.149 4.340 0.002 0.000 0.208 279 L C 2.465 179.285 176.870 -0.084 0.000 1.073 279 L CA 1.689 56.459 54.840 -0.116 0.000 0.745 279 L CB -0.487 41.492 42.059 -0.134 0.000 0.894 279 L HN 0.244 nan 8.230 nan 0.000 0.432 280 S N -1.344 114.322 115.700 -0.057 0.000 2.481 280 S HA -0.103 4.368 4.470 0.002 0.000 0.231 280 S C 1.787 176.369 174.600 -0.030 0.000 0.996 280 S CA 0.360 58.539 58.200 -0.035 0.000 0.942 280 S CB -0.238 62.949 63.200 -0.022 0.000 0.768 280 S HN 0.312 nan 8.310 nan 0.000 0.520 281 K N 1.131 121.509 120.400 -0.037 0.000 2.211 281 K HA -0.051 4.270 4.320 0.002 0.000 0.204 281 K C 1.408 177.991 176.600 -0.028 0.000 1.047 281 K CA 1.273 57.542 56.287 -0.030 0.000 0.935 281 K CB -0.541 31.939 32.500 -0.034 0.000 0.728 281 K HN 0.581 nan 8.250 nan 0.000 0.452 282 L N -1.890 119.311 121.223 -0.036 0.000 2.612 282 L HA 0.131 4.472 4.340 0.002 0.000 0.230 282 L C 1.445 178.306 176.870 -0.015 0.000 1.140 282 L CA 0.670 55.492 54.840 -0.030 0.000 0.896 282 L CB -0.085 41.946 42.059 -0.047 0.000 1.065 282 L HN -0.060 nan 8.230 nan 0.000 0.447 283 L N 0.111 121.327 121.223 -0.012 0.000 2.388 283 L HA 0.210 4.551 4.340 0.002 0.000 0.209 283 L C 1.173 178.045 176.870 0.003 0.000 1.061 283 L CA -0.271 54.570 54.840 0.002 0.000 0.834 283 L CB 0.024 42.086 42.059 0.005 0.000 1.029 283 L HN 0.411 nan 8.230 nan 0.000 0.473 284 R N 1.836 122.335 120.500 -0.002 0.000 2.669 284 R HA 0.076 4.417 4.340 0.002 0.000 0.283 284 R C -0.036 176.266 176.300 0.002 0.000 0.851 284 R CA 0.873 56.973 56.100 -0.001 0.000 1.126 284 R CB -0.918 29.380 30.300 -0.004 0.000 0.883 284 R HN 0.221 nan 8.270 nan 0.000 0.418 285 G N 2.599 111.402 108.800 0.004 0.000 2.911 285 G HA2 -0.189 3.772 3.960 0.002 0.000 0.686 285 G HA3 -0.189 3.772 3.960 0.002 0.000 0.686 285 G C -0.058 174.847 174.900 0.008 0.000 1.136 285 G CA -0.411 44.692 45.100 0.005 0.000 0.764 285 G HN 0.914 nan 8.290 nan 0.000 0.626 286 T N 0.845 115.404 114.554 0.008 0.000 4.072 286 T HA 0.242 4.593 4.350 0.002 0.000 0.205 286 T C 0.808 175.515 174.700 0.011 0.000 0.825 286 T CA 0.790 62.896 62.100 0.009 0.000 2.171 286 T CB -0.365 68.508 68.868 0.008 0.000 1.222 286 T HN 0.648 nan 8.240 nan 0.000 0.692 287 K N 1.031 121.438 120.400 0.013 0.000 2.090 287 K HA 0.632 4.953 4.320 0.002 0.000 0.250 287 K C 0.607 177.216 176.600 0.016 0.000 1.004 287 K CA -0.840 55.456 56.287 0.015 0.000 0.919 287 K CB 0.942 33.453 32.500 0.018 0.000 1.045 287 K HN 0.505 nan 8.250 nan 0.000 0.471 288 A N 1.872 124.701 122.820 0.016 0.000 2.407 288 A HA 0.129 4.450 4.320 0.002 0.000 0.248 288 A C 1.274 178.870 177.584 0.019 0.000 1.082 288 A CA -0.293 51.753 52.037 0.015 0.000 0.785 288 A CB 0.029 19.036 19.000 0.012 0.000 1.020 288 A HN 0.799 nan 8.150 nan 0.000 0.489 289 L N 1.256 122.490 121.223 0.018 0.000 2.083 289 L HA -0.148 4.193 4.340 0.002 0.000 0.209 289 L C 2.487 179.370 176.870 0.022 0.000 1.083 289 L CA 2.020 56.873 54.840 0.021 0.000 0.752 289 L CB -0.649 41.419 42.059 0.016 0.000 0.899 289 L HN 0.976 nan 8.230 nan 0.000 0.433 290 T N -3.497 111.066 114.554 0.016 0.000 3.219 290 T HA 0.007 4.358 4.350 0.002 0.000 0.249 290 T C 0.510 175.220 174.700 0.018 0.000 1.099 290 T CA -0.320 61.788 62.100 0.013 0.000 0.988 290 T CB -0.209 68.663 68.868 0.005 0.000 0.999 290 T HN 0.308 nan 8.240 nan 0.000 0.550 291 E N 1.312 121.527 120.200 0.025 0.000 2.283 291 E HA 0.373 4.725 4.350 0.002 0.000 0.278 291 E C -0.752 175.873 176.600 0.042 0.000 1.027 291 E CA -0.787 55.630 56.400 0.028 0.000 0.843 291 E CB 1.162 30.878 29.700 0.026 0.000 1.062 291 E HN 0.081 nan 8.360 nan 0.000 0.401 292 V N 5.752 125.691 119.914 0.042 0.000 2.508 292 V HA 0.109 4.230 4.120 0.002 0.000 0.281 292 V C 0.133 176.269 176.094 0.070 0.000 1.041 292 V CA -0.202 62.135 62.300 0.061 0.000 1.016 292 V CB 0.573 32.427 31.823 0.050 0.000 0.984 292 V HN 0.586 nan 8.190 nan 0.000 0.478 293 I N 7.628 128.259 120.570 0.102 0.000 2.433 293 I HA 0.489 4.660 4.170 0.002 0.000 0.292 293 I C -2.086 174.091 176.117 0.099 0.000 1.001 293 I CA -2.716 58.633 61.300 0.081 0.000 1.119 293 I CB 1.870 39.913 38.000 0.071 0.000 1.289 293 I HN 0.442 nan 8.210 nan 0.000 0.438 294 P HA 0.378 nan 4.420 nan 0.000 0.282 294 P C -0.756 176.542 177.300 -0.003 0.000 1.259 294 P CA -0.603 62.529 63.100 0.053 0.000 0.826 294 P CB 1.692 33.412 31.700 0.035 0.000 1.064 295 L N 1.376 122.581 121.223 -0.030 0.000 2.350 295 L HA 0.275 4.616 4.340 0.002 0.000 0.275 295 L C 1.667 178.496 176.870 -0.068 0.000 1.099 295 L CA -0.236 54.538 54.840 -0.110 0.000 0.808 295 L CB 1.253 43.206 42.059 -0.176 0.000 1.149 295 L HN 0.556 nan 8.230 nan 0.000 0.442 296 T N -1.812 112.695 114.554 -0.079 0.000 2.891 296 T HA 0.185 4.537 4.350 0.002 0.000 0.294 296 T C 0.878 175.545 174.700 -0.055 0.000 1.065 296 T CA -0.599 61.468 62.100 -0.055 0.000 0.936 296 T CB 1.161 69.998 68.868 -0.052 0.000 1.415 296 T HN 0.481 nan 8.240 nan 0.000 0.572 297 E N 0.448 120.623 120.200 -0.043 0.000 2.021 297 E HA -0.038 4.313 4.350 0.002 0.000 0.189 297 E C 2.211 178.782 176.600 -0.048 0.000 0.980 297 E CA 1.095 57.472 56.400 -0.039 0.000 0.803 297 E CB -0.441 29.241 29.700 -0.029 0.000 0.766 297 E HN 0.685 nan 8.360 nan 0.000 0.449 298 E N 1.436 121.607 120.200 -0.049 0.000 2.049 298 E HA -0.200 4.151 4.350 0.002 0.000 0.198 298 E C 1.927 178.484 176.600 -0.071 0.000 1.007 298 E CA 1.533 57.901 56.400 -0.053 0.000 0.809 298 E CB -0.543 29.128 29.700 -0.049 0.000 0.749 298 E HN 0.270 nan 8.360 nan 0.000 0.450 299 A N 0.919 123.686 122.820 -0.088 0.000 1.837 299 A HA -0.357 3.964 4.320 0.002 0.000 0.216 299 A C 2.229 179.731 177.584 -0.136 0.000 1.210 299 A CA 2.156 54.117 52.037 -0.127 0.000 0.632 299 A CB -1.070 17.837 19.000 -0.156 0.000 0.843 299 A HN 0.297 nan 8.150 nan 0.000 0.448 300 E N -0.936 119.188 120.200 -0.126 0.000 2.136 300 E HA -0.256 4.095 4.350 0.002 0.000 0.202 300 E C 1.810 178.362 176.600 -0.081 0.000 1.019 300 E CA 1.732 58.068 56.400 -0.107 0.000 0.819 300 E CB -0.292 29.366 29.700 -0.069 0.000 0.739 300 E HN 0.514 nan 8.360 nan 0.000 0.458 301 L N 0.819 122.002 121.223 -0.068 0.000 2.023 301 L HA -0.113 4.228 4.340 0.002 0.000 0.205 301 L C 2.236 179.069 176.870 -0.062 0.000 1.073 301 L CA 2.154 56.962 54.840 -0.054 0.000 0.745 301 L CB -0.554 41.478 42.059 -0.044 0.000 0.900 301 L HN 0.173 nan 8.230 nan 0.000 0.435 302 E N -0.713 119.443 120.200 -0.074 0.000 2.130 302 E HA -0.290 4.061 4.350 0.002 0.000 0.196 302 E C 2.162 178.708 176.600 -0.090 0.000 0.998 302 E CA 1.696 58.049 56.400 -0.079 0.000 0.806 302 E CB -0.210 29.438 29.700 -0.087 0.000 0.738 302 E HN 0.438 nan 8.360 nan 0.000 0.459 303 L N 0.832 121.989 121.223 -0.111 0.000 2.005 303 L HA -0.091 4.250 4.340 0.002 0.000 0.207 303 L C 2.328 179.153 176.870 -0.074 0.000 1.072 303 L CA 2.306 57.077 54.840 -0.116 0.000 0.744 303 L CB -1.076 40.885 42.059 -0.164 0.000 0.895 303 L HN 0.153 nan 8.230 nan 0.000 0.433 304 A N -0.792 121.992 122.820 -0.060 0.000 1.892 304 A HA -0.321 4.000 4.320 0.002 0.000 0.218 304 A C 2.328 179.889 177.584 -0.037 0.000 1.188 304 A CA 2.094 54.109 52.037 -0.037 0.000 0.631 304 A CB -0.888 18.095 19.000 -0.029 0.000 0.822 304 A HN 0.608 nan 8.150 nan 0.000 0.447 305 E N -0.390 119.784 120.200 -0.043 0.000 2.204 305 E HA -0.176 4.176 4.350 0.002 0.000 0.195 305 E C 1.794 178.367 176.600 -0.046 0.000 0.990 305 E CA 1.116 57.493 56.400 -0.039 0.000 0.821 305 E CB -0.073 29.603 29.700 -0.039 0.000 0.750 305 E HN 0.584 nan 8.360 nan 0.000 0.477 306 N N 0.231 118.894 118.700 -0.063 0.000 2.216 306 N HA -0.076 4.665 4.740 0.002 0.000 0.183 306 N C 1.630 177.082 175.510 -0.096 0.000 1.017 306 N CA 0.732 53.731 53.050 -0.084 0.000 0.861 306 N CB -0.015 38.414 38.487 -0.098 0.000 0.986 306 N HN 0.183 nan 8.380 nan 0.000 0.428 307 R N 0.949 121.407 120.500 -0.070 0.000 2.073 307 R HA -0.028 4.313 4.340 0.002 0.000 0.234 307 R C 1.786 178.054 176.300 -0.053 0.000 1.134 307 R CA 0.745 56.808 56.100 -0.062 0.000 0.952 307 R CB -0.120 30.163 30.300 -0.028 0.000 0.850 307 R HN 0.202 nan 8.270 nan 0.000 0.433 308 E N 0.985 121.166 120.200 -0.032 0.000 2.097 308 E HA -0.199 4.152 4.350 0.002 0.000 0.196 308 E C 2.013 178.615 176.600 0.004 0.000 1.000 308 E CA 1.268 57.662 56.400 -0.011 0.000 0.804 308 E CB -0.159 29.536 29.700 -0.008 0.000 0.740 308 E HN 0.394 nan 8.360 nan 0.000 0.454 309 I N 0.586 121.151 120.570 -0.007 0.000 2.394 309 I HA -0.235 3.936 4.170 0.002 0.000 0.251 309 I C 2.315 178.470 176.117 0.064 0.000 1.136 309 I CA 0.708 62.038 61.300 0.050 0.000 1.425 309 I CB -0.200 37.817 38.000 0.028 0.000 1.079 309 I HN 0.050 nan 8.210 nan 0.000 0.425 310 L N 0.249 121.386 121.223 -0.144 0.000 2.418 310 L HA -0.064 4.277 4.340 0.002 0.000 0.218 310 L C 2.330 179.172 176.870 -0.047 0.000 1.125 310 L CA 0.781 55.420 54.840 -0.335 0.000 0.835 310 L CB -0.297 41.533 42.059 -0.381 0.000 0.953 310 L HN 0.170 nan 8.230 nan 0.000 0.454 311 K N 0.062 120.475 120.400 0.021 0.000 2.228 311 K HA -0.036 4.285 4.320 0.002 0.000 0.202 311 K C 0.738 177.399 176.600 0.102 0.000 1.051 311 K CA 0.433 56.752 56.287 0.054 0.000 0.960 311 K CB 0.197 32.717 32.500 0.034 0.000 0.743 311 K HN 0.354 nan 8.250 nan 0.000 0.458 312 E N 0.820 121.103 120.200 0.138 0.000 2.766 312 E HA 0.047 4.398 4.350 0.002 0.000 0.261 312 E C -2.303 174.397 176.600 0.167 0.000 1.427 312 E CA -1.326 55.152 56.400 0.129 0.000 1.085 312 E CB 0.070 29.836 29.700 0.110 0.000 1.074 312 E HN 0.062 nan 8.360 nan 0.000 0.651 313 P HA 0.117 nan 4.420 nan 0.000 0.289 313 P C -0.792 176.473 177.300 -0.058 0.000 1.293 313 P CA -0.460 62.682 63.100 0.070 0.000 0.897 313 P CB 1.363 33.100 31.700 0.062 0.000 1.166 314 V N 2.401 122.220 119.914 -0.158 0.000 3.096 314 V HA 0.066 4.187 4.120 0.002 0.000 0.306 314 V C 0.062 176.090 176.094 -0.111 0.000 1.088 314 V CA 0.051 62.126 62.300 -0.375 0.000 1.129 314 V CB -0.107 31.515 31.823 -0.334 0.000 1.014 314 V HN 0.678 nan 8.190 nan 0.000 0.486 315 H N 3.983 122.921 119.070 -0.220 0.000 2.499 315 H HA 0.508 5.066 4.556 0.002 0.000 0.340 315 H C 0.867 176.153 175.328 -0.071 0.000 1.148 315 H CA -0.059 55.924 56.048 -0.108 0.000 1.215 315 H CB 1.645 31.350 29.762 -0.094 0.000 1.529 315 H HN 1.170 nan 8.280 nan 0.000 0.510 316 G N 3.137 111.600 108.800 -0.561 0.000 2.148 316 G HA2 -0.265 3.696 3.960 0.002 0.000 0.254 316 G HA3 -0.265 3.696 3.960 0.002 0.000 0.254 316 G C 0.043 174.839 174.900 -0.173 0.000 0.981 316 G CA 0.276 45.105 45.100 -0.450 0.000 0.670 316 G HN 0.530 nan 8.290 nan 0.000 0.528 317 V N 2.109 121.973 119.914 -0.085 0.000 2.364 317 V HA 0.497 4.618 4.120 0.002 0.000 0.252 317 V C 0.307 176.442 176.094 0.068 0.000 1.075 317 V CA 0.167 62.431 62.300 -0.061 0.000 1.033 317 V CB -0.730 31.090 31.823 -0.004 0.000 1.116 317 V HN 0.558 nan 8.190 nan 0.000 0.488 318 Y N 4.362 124.683 120.300 0.035 0.000 2.462 318 Y HA 0.702 5.253 4.550 0.002 0.000 0.346 318 Y C -0.866 175.100 175.900 0.110 0.000 0.976 318 Y CA -2.578 55.569 58.100 0.080 0.000 1.044 318 Y CB 0.813 39.296 38.460 0.038 0.000 1.230 318 Y HN 0.483 nan 8.280 nan 0.000 0.455 319 Y N 2.632 123.098 120.300 0.276 0.000 2.304 319 Y HA 0.423 4.974 4.550 0.002 0.000 0.327 319 Y C -0.594 175.438 175.900 0.220 0.000 1.209 319 Y CA -0.734 57.451 58.100 0.143 0.000 1.299 319 Y CB 1.123 39.690 38.460 0.179 0.000 1.249 319 Y HN 0.826 nan 8.280 nan 0.000 0.519 320 D N 7.348 127.417 120.400 -0.550 0.000 2.404 320 D HA 0.321 4.962 4.640 0.002 0.000 0.267 320 D C -2.220 173.545 176.300 -0.892 0.000 1.194 320 D CA -2.495 51.223 54.000 -0.469 0.000 0.910 320 D CB 1.369 42.091 40.800 -0.129 0.000 1.090 320 D HN 0.303 nan 8.370 nan 0.000 0.511 321 P HA -0.289 nan 4.420 nan 0.000 0.221 321 P C 1.364 178.512 177.300 -0.253 0.000 1.153 321 P CA 1.814 64.542 63.100 -0.621 0.000 0.858 321 P CB 0.286 31.887 31.700 -0.165 0.000 0.783 322 S N -1.470 114.100 115.700 -0.215 0.000 2.325 322 S HA -0.078 4.393 4.470 0.002 0.000 0.213 322 S C 1.013 175.557 174.600 -0.094 0.000 1.031 322 S CA 0.536 58.676 58.200 -0.100 0.000 0.984 322 S CB -0.953 62.199 63.200 -0.081 0.000 0.939 322 S HN 0.050 nan 8.310 nan 0.000 0.438 323 K N 2.635 122.957 120.400 -0.131 0.000 2.339 323 K HA 0.078 4.399 4.320 0.002 0.000 0.260 323 K C -0.442 176.094 176.600 -0.107 0.000 0.989 323 K CA 0.484 56.705 56.287 -0.109 0.000 0.888 323 K CB -0.069 32.361 32.500 -0.117 0.000 0.983 323 K HN 0.623 nan 8.250 nan 0.000 0.515 324 D N 0.507 120.845 120.400 -0.105 0.000 2.217 324 D HA 0.246 4.887 4.640 0.002 0.000 0.248 324 D C -0.432 175.747 176.300 -0.202 0.000 1.008 324 D CA -0.602 53.324 54.000 -0.125 0.000 0.914 324 D CB 0.643 41.376 40.800 -0.111 0.000 1.182 324 D HN 0.243 nan 8.370 nan 0.000 0.451 325 L N 0.859 121.920 121.223 -0.271 0.000 2.265 325 L HA 0.381 4.722 4.340 0.002 0.000 0.288 325 L C 0.410 176.989 176.870 -0.486 0.000 1.058 325 L CA -0.764 53.827 54.840 -0.415 0.000 0.809 325 L CB 0.519 42.258 42.059 -0.532 0.000 1.179 325 L HN 0.214 nan 8.230 nan 0.000 0.429 326 I N 2.707 122.899 120.570 -0.629 0.000 2.532 326 I HA 0.521 4.692 4.170 0.002 0.000 0.292 326 I C 0.364 175.983 176.117 -0.831 0.000 1.014 326 I CA -0.223 60.621 61.300 -0.761 0.000 1.340 326 I CB 1.650 39.022 38.000 -1.047 0.000 1.422 326 I HN 0.706 nan 8.210 nan 0.000 0.528 327 A N 5.717 128.152 122.820 -0.642 0.000 2.414 327 A HA 0.534 4.855 4.320 0.002 0.000 0.286 327 A C -0.848 176.611 177.584 -0.209 0.000 1.073 327 A CA -0.625 51.117 52.037 -0.492 0.000 0.727 327 A CB 0.939 19.442 19.000 -0.829 0.000 1.215 327 A HN 0.732 nan 8.150 nan 0.000 0.430 328 E N 1.376 121.562 120.200 -0.024 0.000 2.191 328 E HA 0.596 4.947 4.350 0.002 0.000 0.274 328 E C -1.301 175.389 176.600 0.150 0.000 0.948 328 E CA -0.641 55.812 56.400 0.088 0.000 0.802 328 E CB 2.110 31.898 29.700 0.147 0.000 1.137 328 E HN 0.524 nan 8.360 nan 0.000 0.397 329 I N 2.083 122.752 120.570 0.166 0.000 2.509 329 I HA 0.205 4.377 4.170 0.002 0.000 0.293 329 I C -0.782 175.474 176.117 0.230 0.000 1.020 329 I CA -0.549 60.887 61.300 0.227 0.000 1.088 329 I CB 1.919 40.039 38.000 0.201 0.000 1.267 329 I HN 0.358 nan 8.210 nan 0.000 0.430 330 Q N 4.084 124.040 119.800 0.260 0.000 2.304 330 Q HA 0.398 4.739 4.340 0.002 0.000 0.270 330 Q C -0.764 175.326 176.000 0.150 0.000 1.035 330 Q CA -0.825 55.088 55.803 0.182 0.000 0.781 330 Q CB 2.319 31.124 28.738 0.111 0.000 1.261 330 Q HN 0.386 nan 8.270 nan 0.000 0.444 331 K N 2.166 122.557 120.400 -0.016 0.000 2.383 331 K HA 0.050 4.371 4.320 0.002 0.000 0.286 331 K C -0.044 176.313 176.600 -0.406 0.000 1.051 331 K CA 0.233 56.167 56.287 -0.588 0.000 0.974 331 K CB 0.669 32.770 32.500 -0.665 0.000 0.968 331 K HN 0.601 nan 8.250 nan 0.000 0.475 332 Q N 2.630 122.156 119.800 -0.455 0.000 2.247 332 Q HA 0.148 4.489 4.340 0.002 0.000 0.211 332 Q C 0.318 176.168 176.000 -0.250 0.000 0.861 332 Q CA 0.417 56.069 55.803 -0.252 0.000 0.949 332 Q CB 1.198 29.853 28.738 -0.139 0.000 1.115 332 Q HN 1.013 nan 8.270 nan 0.000 0.507 333 G N 1.527 110.115 108.800 -0.354 0.000 2.705 333 G HA2 -0.254 3.707 3.960 0.002 0.000 0.686 333 G HA3 -0.254 3.707 3.960 0.002 0.000 0.686 333 G C -0.339 174.456 174.900 -0.174 0.000 1.285 333 G CA -0.226 44.733 45.100 -0.235 0.000 0.800 333 G HN 0.246 nan 8.290 nan 0.000 0.611 334 Q N -1.315 118.420 119.800 -0.109 0.000 2.494 334 Q HA -0.122 4.219 4.340 0.002 0.000 0.272 334 Q C 1.677 177.661 176.000 -0.025 0.000 1.145 334 Q CA 2.255 58.027 55.803 -0.051 0.000 0.943 334 Q CB -1.535 27.178 28.738 -0.041 0.000 1.338 334 Q HN 2.862 nan 8.270 nan 0.000 0.492 335 G N -0.633 108.147 108.800 -0.033 0.000 2.153 335 G HA2 -0.324 3.637 3.960 0.002 0.000 0.252 335 G HA3 -0.324 3.637 3.960 0.002 0.000 0.252 335 G C -0.089 174.890 174.900 0.132 0.000 0.994 335 G CA 0.642 45.808 45.100 0.110 0.000 0.698 335 G HN 0.358 nan 8.290 nan 0.000 0.521 336 Q N -1.166 118.581 119.800 -0.088 0.000 2.256 336 Q HA 0.649 4.990 4.340 0.002 0.000 0.257 336 Q C -0.593 175.312 176.000 -0.159 0.000 0.936 336 Q CA -0.284 55.530 55.803 0.019 0.000 0.903 336 Q CB 1.525 30.253 28.738 -0.017 0.000 1.263 336 Q HN 0.401 nan 8.270 nan 0.000 0.440 337 W N 0.481 121.882 121.300 0.167 0.000 3.033 337 W HA 0.468 5.129 4.660 0.003 0.000 0.336 337 W C -0.245 176.387 176.519 0.189 0.000 1.173 337 W CA -0.544 56.905 57.345 0.174 0.000 1.185 337 W CB 1.743 31.327 29.460 0.208 0.000 1.425 337 W HN 0.542 nan 8.180 nan 0.000 0.536 338 T N -0.590 114.187 114.554 0.371 0.000 2.907 338 T HA 0.839 5.191 4.350 0.002 0.000 0.292 338 T C -1.227 173.625 174.700 0.255 0.000 1.043 338 T CA -0.676 61.560 62.100 0.226 0.000 1.003 338 T CB 1.958 70.891 68.868 0.108 0.000 1.084 338 T HN 0.566 nan 8.240 nan 0.000 0.483 339 Y N -0.513 119.813 120.300 0.045 0.000 2.655 339 Y HA 0.815 5.366 4.550 0.002 0.000 0.336 339 Y C -1.819 174.036 175.900 -0.074 0.000 1.154 339 Y CA -1.452 56.645 58.100 -0.004 0.000 1.055 339 Y CB 1.495 39.981 38.460 0.042 0.000 1.295 339 Y HN 0.675 nan 8.280 nan 0.000 0.465 340 Q N 1.833 121.721 119.800 0.147 0.000 2.313 340 Q HA 0.515 4.856 4.340 0.002 0.000 0.255 340 Q C -1.668 174.431 176.000 0.165 0.000 0.944 340 Q CA -0.428 55.423 55.803 0.081 0.000 0.881 340 Q CB 2.572 31.287 28.738 -0.039 0.000 1.375 340 Q HN 0.732 nan 8.270 nan 0.000 0.422 341 I N 3.724 124.377 120.570 0.137 0.000 2.365 341 I HA 0.601 4.772 4.170 0.002 0.000 0.291 341 I C -0.563 175.541 176.117 -0.021 0.000 1.004 341 I CA -0.886 60.377 61.300 -0.062 0.000 1.311 341 I CB 0.248 38.215 38.000 -0.055 0.000 1.401 341 I HN 0.671 nan 8.210 nan 0.000 0.491 342 Y N 3.119 123.299 120.300 -0.200 0.000 2.725 342 Y HA 0.466 5.017 4.550 0.002 0.000 0.333 342 Y C -0.356 175.411 175.900 -0.222 0.000 1.242 342 Y CA -0.957 57.030 58.100 -0.187 0.000 1.059 342 Y CB 1.138 39.526 38.460 -0.121 0.000 1.306 342 Y HN 0.448 nan 8.280 nan 0.000 0.454 343 Q N -0.549 119.289 119.800 0.063 0.000 2.313 343 Q HA 0.281 4.622 4.340 0.002 0.000 0.263 343 Q C -0.833 175.214 176.000 0.078 0.000 0.820 343 Q CA 0.088 55.865 55.803 -0.043 0.000 0.974 343 Q CB 1.242 29.910 28.738 -0.117 0.000 1.156 343 Q HN 0.556 nan 8.270 nan 0.000 0.517 344 E N 1.078 121.342 120.200 0.107 0.000 2.234 344 E HA 0.353 4.704 4.350 0.002 0.000 0.266 344 E C -2.661 173.877 176.600 -0.103 0.000 0.877 344 E CA -2.467 53.934 56.400 0.001 0.000 0.758 344 E CB 1.626 31.267 29.700 -0.097 0.000 1.170 344 E HN -0.119 nan 8.360 nan 0.000 0.415 345 P HA -0.017 nan 4.420 nan 0.000 0.260 345 P C -0.492 176.530 177.300 -0.464 0.000 1.172 345 P CA 0.624 63.362 63.100 -0.603 0.000 0.760 345 P CB -0.169 31.237 31.700 -0.490 0.000 0.773 346 F N 1.249 121.014 119.950 -0.309 0.000 2.999 346 F HA -0.206 4.322 4.527 0.001 0.000 0.291 346 F C 0.641 176.337 175.800 -0.174 0.000 0.824 346 F CA 0.395 58.273 58.000 -0.204 0.000 1.255 346 F CB -1.360 37.527 39.000 -0.189 0.000 1.333 346 F HN 0.339 nan 8.300 nan 0.000 0.502 347 K N 0.788 121.149 120.400 -0.066 0.000 3.301 347 K HA 0.222 4.543 4.320 0.002 0.000 0.170 347 K C -0.316 176.292 176.600 0.012 0.000 1.061 347 K CA -0.339 55.922 56.287 -0.043 0.000 0.807 347 K CB 0.371 32.813 32.500 -0.095 0.000 0.889 347 K HN 0.067 nan 8.250 nan 0.000 0.564 348 N N 1.546 120.282 118.700 0.059 0.000 2.458 348 N HA 0.023 4.765 4.740 0.002 0.000 0.258 348 N C 1.176 176.760 175.510 0.122 0.000 1.219 348 N CA 0.226 53.352 53.050 0.128 0.000 0.902 348 N CB 1.166 39.746 38.487 0.155 0.000 1.076 348 N HN 0.236 nan 8.380 nan 0.000 0.455 349 L N -0.019 121.287 121.223 0.139 0.000 2.554 349 L HA 0.198 4.539 4.340 0.002 0.000 0.225 349 L C 0.544 177.579 176.870 0.274 0.000 1.104 349 L CA 0.311 55.270 54.840 0.198 0.000 0.866 349 L CB -0.061 42.097 42.059 0.164 0.000 1.047 349 L HN 0.476 nan 8.230 nan 0.000 0.468 350 K N 0.401 120.936 120.400 0.225 0.000 2.622 350 K HA 0.402 4.723 4.320 0.002 0.000 0.273 350 K C -1.151 175.520 176.600 0.118 0.000 0.957 350 K CA -0.242 56.169 56.287 0.207 0.000 0.861 350 K CB 1.491 34.172 32.500 0.301 0.000 1.405 350 K HN -0.033 nan 8.250 nan 0.000 0.406 351 T N -0.230 114.331 114.554 0.012 0.000 2.982 351 T HA 0.853 5.204 4.350 0.002 0.000 0.321 351 T C -0.308 174.155 174.700 -0.394 0.000 1.229 351 T CA -0.141 61.840 62.100 -0.199 0.000 1.044 351 T CB 1.600 70.428 68.868 -0.066 0.000 1.184 351 T HN 0.848 nan 8.240 nan 0.000 0.477 352 G N 0.846 109.046 108.800 -1.000 0.000 2.911 352 G HA2 0.741 4.702 3.960 0.002 0.000 0.299 352 G HA3 0.741 4.702 3.960 0.002 0.000 0.299 352 G C -1.812 172.797 174.900 -0.484 0.000 1.283 352 G CA -1.061 43.593 45.100 -0.744 0.000 0.805 352 G HN 0.828 nan 8.290 nan 0.000 0.548 353 K N -0.342 120.031 120.400 -0.045 0.000 2.616 353 K HA 0.350 4.671 4.320 0.002 0.000 0.255 353 K C -2.128 174.677 176.600 0.343 0.000 0.995 353 K CA -0.700 55.692 56.287 0.174 0.000 0.860 353 K CB 1.985 34.554 32.500 0.114 0.000 1.264 353 K HN 0.528 nan 8.250 nan 0.000 0.451 354 Y N 3.212 123.709 120.300 0.329 0.000 2.304 354 Y HA 0.535 5.086 4.550 0.002 0.000 0.328 354 Y C -0.259 175.790 175.900 0.250 0.000 1.123 354 Y CA 0.021 58.284 58.100 0.272 0.000 1.218 354 Y CB 1.108 39.698 38.460 0.216 0.000 1.207 354 Y HN 0.695 nan 8.280 nan 0.000 0.495 355 A N 5.286 127.914 122.820 -0.321 0.000 2.580 355 A HA 0.692 5.013 4.320 0.002 0.000 0.275 355 A C -0.879 176.519 177.584 -0.312 0.000 1.321 355 A CA -0.936 50.974 52.037 -0.211 0.000 0.924 355 A CB 0.561 19.486 19.000 -0.124 0.000 1.512 355 A HN 0.717 nan 8.150 nan 0.000 0.492 356 R N -0.072 120.348 120.500 -0.134 0.000 2.233 356 R HA 0.501 4.842 4.340 0.002 0.000 0.334 356 R C 0.299 176.550 176.300 -0.081 0.000 1.037 356 R CA 0.262 56.314 56.100 -0.079 0.000 0.920 356 R CB -0.067 30.230 30.300 -0.005 0.000 1.137 356 R HN 0.756 nan 8.270 nan 0.000 0.492 357 M N 2.314 121.854 119.600 -0.100 0.000 2.466 357 M HA 0.143 4.624 4.480 0.002 0.000 0.265 357 M C 0.638 176.945 176.300 0.012 0.000 1.122 357 M CA 0.865 56.139 55.300 -0.044 0.000 1.157 357 M CB 0.363 32.939 32.600 -0.040 0.000 1.352 357 M HN 0.230 nan 8.290 nan 0.000 0.464 358 R N 0.830 121.353 120.500 0.038 0.000 2.694 358 R HA 0.365 4.706 4.340 0.002 0.000 0.334 358 R C 0.571 176.950 176.300 0.132 0.000 1.143 358 R CA 0.093 56.268 56.100 0.125 0.000 1.073 358 R CB -0.713 29.774 30.300 0.312 0.000 1.366 358 R HN 0.419 nan 8.270 nan 0.000 0.577 359 G N 1.086 109.932 108.800 0.077 0.000 2.614 359 G HA2 -0.382 3.580 3.960 0.002 0.000 0.303 359 G HA3 -0.382 3.580 3.960 0.002 0.000 0.303 359 G C 0.232 175.186 174.900 0.089 0.000 1.270 359 G CA -0.024 45.115 45.100 0.065 0.000 0.988 359 G HN 0.509 nan 8.290 nan 0.000 0.551 360 A N 0.399 123.258 122.820 0.065 0.000 3.076 360 A HA 0.381 4.702 4.320 0.002 0.000 0.269 360 A C 0.690 178.325 177.584 0.085 0.000 1.916 360 A CA 0.649 52.723 52.037 0.061 0.000 1.492 360 A CB -0.849 18.167 19.000 0.027 0.000 1.000 360 A HN 0.857 nan 8.150 nan 0.000 0.615 361 H N 2.447 121.530 119.070 0.022 0.000 3.067 361 H HA 0.095 4.652 4.556 0.002 0.000 0.265 361 H C 1.126 176.465 175.328 0.017 0.000 1.234 361 H CA 0.983 57.044 56.048 0.020 0.000 1.452 361 H CB 0.501 30.286 29.762 0.037 0.000 1.527 361 H HN 0.566 nan 8.280 nan 0.000 0.486 362 T N 1.133 115.689 114.554 0.004 0.000 3.496 362 T HA -0.071 4.280 4.350 0.002 0.000 0.253 362 T C 0.567 175.279 174.700 0.020 0.000 1.134 362 T CA -0.351 61.754 62.100 0.008 0.000 0.993 362 T CB -0.406 68.435 68.868 -0.044 0.000 1.018 362 T HN 0.337 nan 8.240 nan 0.000 0.571 363 N N 0.844 119.628 118.700 0.139 0.000 2.573 363 N HA 0.217 4.958 4.740 0.002 0.000 0.262 363 N C -0.332 175.265 175.510 0.145 0.000 1.029 363 N CA -0.384 52.719 53.050 0.090 0.000 0.882 363 N CB 1.795 40.284 38.487 0.004 0.000 1.204 363 N HN -0.030 nan 8.380 nan 0.000 0.519 364 D N 2.079 122.551 120.400 0.120 0.000 2.117 364 D HA -0.100 4.541 4.640 0.002 0.000 0.197 364 D C 1.777 178.161 176.300 0.141 0.000 0.987 364 D CA 1.131 55.281 54.000 0.250 0.000 0.829 364 D CB 0.394 41.340 40.800 0.243 0.000 0.961 364 D HN 0.317 nan 8.370 nan 0.000 0.460 365 V N 0.647 120.559 119.914 -0.003 0.000 2.515 365 V HA -0.196 3.925 4.120 0.002 0.000 0.250 365 V C 2.359 178.254 176.094 -0.331 0.000 1.058 365 V CA 1.368 63.627 62.300 -0.069 0.000 1.064 365 V CB -0.323 31.488 31.823 -0.019 0.000 0.675 365 V HN 0.169 nan 8.190 nan 0.000 0.461 366 K N -0.295 119.747 120.400 -0.597 0.000 2.057 366 K HA -0.202 4.119 4.320 0.002 0.000 0.206 366 K C 2.230 178.594 176.600 -0.394 0.000 1.050 366 K CA 1.465 57.280 56.287 -0.787 0.000 0.935 366 K CB -0.064 32.114 32.500 -0.537 0.000 0.715 366 K HN 0.553 nan 8.250 nan 0.000 0.439 367 Q N 0.473 120.089 119.800 -0.307 0.000 1.967 367 Q HA -0.204 4.137 4.340 0.002 0.000 0.202 367 Q C 2.156 177.755 176.000 -0.668 0.000 0.985 367 Q CA 1.441 57.037 55.803 -0.346 0.000 0.839 367 Q CB -0.399 28.315 28.738 -0.040 0.000 0.906 367 Q HN 0.231 nan 8.270 nan 0.000 0.423 368 L N 1.097 121.863 121.223 -0.762 0.000 2.010 368 L HA -0.258 4.083 4.340 0.002 0.000 0.219 368 L C 2.183 178.792 176.870 -0.436 0.000 1.077 368 L CA 2.295 56.653 54.840 -0.803 0.000 0.773 368 L CB -1.265 40.602 42.059 -0.320 0.000 0.892 368 L HN 0.218 nan 8.230 nan 0.000 0.436 369 T N -0.589 113.879 114.554 -0.144 0.000 2.759 369 T HA -0.188 4.163 4.350 0.002 0.000 0.269 369 T C 1.701 176.264 174.700 -0.228 0.000 1.042 369 T CA 1.731 63.847 62.100 0.026 0.000 1.140 369 T CB -0.175 68.788 68.868 0.158 0.000 0.864 369 T HN 0.511 nan 8.240 nan 0.000 0.455 370 E N 0.613 120.599 120.200 -0.356 0.000 2.152 370 E HA 0.060 4.411 4.350 0.002 0.000 0.192 370 E C 2.485 178.678 176.600 -0.678 0.000 0.983 370 E CA 0.697 56.852 56.400 -0.407 0.000 0.818 370 E CB -0.136 29.415 29.700 -0.248 0.000 0.758 370 E HN 0.459 nan 8.360 nan 0.000 0.467 371 A N 0.937 123.180 122.820 -0.962 0.000 1.845 371 A HA -0.163 4.158 4.320 0.002 0.000 0.215 371 A C 2.492 179.701 177.584 -0.625 0.000 1.195 371 A CA 1.310 52.682 52.037 -1.108 0.000 0.616 371 A CB -0.894 17.465 19.000 -1.068 0.000 0.832 371 A HN 0.121 nan 8.150 nan 0.000 0.443 372 V N 0.022 119.622 119.914 -0.524 0.000 2.380 372 V HA -0.369 3.752 4.120 0.002 0.000 0.251 372 V C 2.679 178.605 176.094 -0.279 0.000 1.063 372 V CA 2.456 64.439 62.300 -0.529 0.000 1.055 372 V CB -0.979 30.487 31.823 -0.594 0.000 0.657 372 V HN 0.640 nan 8.190 nan 0.000 0.455 373 Q N -0.435 119.178 119.800 -0.312 0.000 1.990 373 Q HA -0.215 4.126 4.340 0.002 0.000 0.200 373 Q C 2.461 178.465 176.000 0.007 0.000 0.980 373 Q CA 1.779 57.480 55.803 -0.169 0.000 0.832 373 Q CB -0.197 28.262 28.738 -0.465 0.000 0.897 373 Q HN 0.556 nan 8.270 nan 0.000 0.427 374 K N 0.378 120.707 120.400 -0.118 0.000 2.044 374 K HA -0.181 4.141 4.320 0.002 0.000 0.210 374 K C 2.041 178.568 176.600 -0.122 0.000 1.049 374 K CA 1.425 57.691 56.287 -0.036 0.000 0.927 374 K CB -0.226 32.270 32.500 -0.007 0.000 0.713 374 K HN 0.221 nan 8.250 nan 0.000 0.443 375 I N 0.642 121.069 120.570 -0.238 0.000 2.208 375 I HA -0.307 3.864 4.170 0.002 0.000 0.245 375 I C 2.166 178.213 176.117 -0.117 0.000 1.097 375 I CA 1.377 62.489 61.300 -0.313 0.000 1.363 375 I CB -0.561 37.270 38.000 -0.281 0.000 1.051 375 I HN 0.242 nan 8.210 nan 0.000 0.413 376 T N -0.210 114.382 114.554 0.063 0.000 2.737 376 T HA -0.148 4.203 4.350 0.002 0.000 0.265 376 T C 1.935 176.480 174.700 -0.259 0.000 1.038 376 T CA 1.922 63.989 62.100 -0.054 0.000 1.144 376 T CB -0.369 68.478 68.868 -0.035 0.000 0.866 376 T HN 0.332 nan 8.240 nan 0.000 0.434 377 T N 2.156 116.662 114.554 -0.080 0.000 2.665 377 T HA -0.147 4.205 4.350 0.002 0.000 0.268 377 T C 1.941 176.610 174.700 -0.052 0.000 1.035 377 T CA 1.363 63.499 62.100 0.059 0.000 1.151 377 T CB -0.317 68.742 68.868 0.318 0.000 0.862 377 T HN 0.520 nan 8.240 nan 0.000 0.438 378 E N 0.540 120.619 120.200 -0.201 0.000 2.051 378 E HA -0.121 4.230 4.350 0.002 0.000 0.192 378 E C 2.503 178.882 176.600 -0.368 0.000 0.991 378 E CA 1.187 57.285 56.400 -0.503 0.000 0.799 378 E CB -0.261 28.877 29.700 -0.937 0.000 0.748 378 E HN 0.329 nan 8.360 nan 0.000 0.449 379 S N 0.427 115.977 115.700 -0.250 0.000 2.400 379 S HA -0.149 4.322 4.470 0.002 0.000 0.232 379 S C 1.940 176.424 174.600 -0.192 0.000 1.025 379 S CA 0.786 58.941 58.200 -0.075 0.000 0.993 379 S CB -0.155 63.008 63.200 -0.061 0.000 0.808 379 S HN 0.174 nan 8.310 nan 0.000 0.478 380 I N 0.551 120.909 120.570 -0.353 0.000 2.233 380 I HA -0.107 4.064 4.170 0.002 0.000 0.243 380 I C 2.207 178.120 176.117 -0.340 0.000 1.093 380 I CA 0.838 61.856 61.300 -0.470 0.000 1.380 380 I CB -0.324 37.267 38.000 -0.682 0.000 1.067 380 I HN 0.163 nan 8.210 nan 0.000 0.413 381 V N 1.301 121.040 119.914 -0.292 0.000 2.392 381 V HA -0.272 3.849 4.120 0.002 0.000 0.249 381 V C 2.255 178.256 176.094 -0.156 0.000 1.059 381 V CA 1.469 63.666 62.300 -0.172 0.000 1.051 381 V CB -0.503 31.392 31.823 0.120 0.000 0.658 381 V HN 0.278 nan 8.190 nan 0.000 0.455 382 I N -1.372 118.955 120.570 -0.405 0.000 2.185 382 I HA -0.095 4.076 4.170 0.002 0.000 0.235 382 I C 2.023 177.575 176.117 -0.941 0.000 1.069 382 I CA 1.626 62.429 61.300 -0.828 0.000 1.354 382 I CB -1.160 35.723 38.000 -1.862 0.000 1.093 382 I HN 0.411 nan 8.210 nan 0.000 0.411 383 W N 0.943 121.919 121.300 -0.541 0.000 3.132 383 W HA 0.409 5.071 4.660 0.002 0.000 0.364 383 W C 1.167 177.087 176.519 -0.998 0.000 1.129 383 W CA 0.346 57.201 57.345 -0.817 0.000 1.815 383 W CB -0.579 28.391 29.460 -0.817 0.000 1.099 383 W HN 0.447 nan 8.180 nan 0.000 0.605 384 G N 3.071 111.258 108.800 -1.021 0.000 2.321 384 G HA2 -0.331 3.630 3.960 0.002 0.000 0.287 384 G HA3 -0.331 3.630 3.960 0.002 0.000 0.287 384 G C 0.141 175.031 174.900 -0.016 0.000 1.018 384 G CA 1.034 45.899 45.100 -0.391 0.000 0.855 384 G HN 0.418 nan 8.290 nan 0.000 0.507 385 K N -1.254 119.063 120.400 -0.138 0.000 2.582 385 K HA 0.519 4.840 4.320 0.002 0.000 0.259 385 K C -0.070 176.428 176.600 -0.170 0.000 0.973 385 K CA -0.348 55.908 56.287 -0.051 0.000 0.880 385 K CB 0.478 33.029 32.500 0.087 0.000 1.310 385 K HN 0.579 nan 8.250 nan 0.000 0.443 386 T N 0.966 115.373 114.554 -0.244 0.000 2.903 386 T HA 0.289 4.640 4.350 0.002 0.000 0.314 386 T C -1.640 172.953 174.700 -0.178 0.000 1.078 386 T CA -0.534 61.424 62.100 -0.237 0.000 1.114 386 T CB 0.316 69.074 68.868 -0.183 0.000 0.987 386 T HN 0.558 nan 8.240 nan 0.000 0.548 387 P HA 0.427 nan 4.420 nan 0.000 0.287 387 P C -1.243 175.841 177.300 -0.359 0.000 1.296 387 P CA -0.852 62.004 63.100 -0.406 0.000 0.811 387 P CB 0.863 32.170 31.700 -0.656 0.000 1.211 388 K N 0.456 120.623 120.400 -0.390 0.000 2.316 388 K HA 0.434 4.755 4.320 0.002 0.000 0.267 388 K C -1.134 175.291 176.600 -0.291 0.000 1.025 388 K CA -0.338 55.814 56.287 -0.224 0.000 0.896 388 K CB -0.502 31.879 32.500 -0.198 0.000 1.124 388 K HN 0.140 nan 8.250 nan 0.000 0.451 389 F N 2.332 122.213 119.950 -0.115 0.000 2.371 389 F HA 0.404 4.932 4.527 0.002 0.000 0.329 389 F C 0.629 176.324 175.800 -0.175 0.000 1.107 389 F CA -0.352 57.564 58.000 -0.140 0.000 1.137 389 F CB 1.181 40.105 39.000 -0.127 0.000 1.214 389 F HN 0.259 nan 8.300 nan 0.000 0.536 390 K N 3.260 123.684 120.400 0.039 0.000 2.527 390 K HA 0.433 4.755 4.320 0.002 0.000 0.240 390 K C -1.313 175.276 176.600 -0.018 0.000 0.989 390 K CA -0.295 55.974 56.287 -0.029 0.000 0.985 390 K CB 0.827 33.323 32.500 -0.006 0.000 1.221 390 K HN 0.463 nan 8.250 nan 0.000 0.458 391 L N 4.485 125.632 121.223 -0.126 0.000 2.326 391 L HA 0.351 4.692 4.340 0.002 0.000 0.278 391 L C -1.824 175.065 176.870 0.031 0.000 1.092 391 L CA -1.946 52.811 54.840 -0.138 0.000 0.810 391 L CB 0.721 42.506 42.059 -0.457 0.000 1.153 391 L HN 0.339 nan 8.230 nan 0.000 0.439 392 P HA 0.300 nan 4.420 nan 0.000 0.225 392 P C -0.671 176.708 177.300 0.132 0.000 1.830 392 P CA 0.207 63.378 63.100 0.119 0.000 1.051 392 P CB 0.610 32.397 31.700 0.144 0.000 1.929 393 I N -0.116 120.533 120.570 0.132 0.000 3.066 393 I HA 0.260 4.431 4.170 0.002 0.000 0.307 393 I C -1.334 174.781 176.117 -0.004 0.000 1.366 393 I CA -0.947 60.415 61.300 0.103 0.000 0.972 393 I CB 2.615 40.710 38.000 0.159 0.000 1.307 393 I HN -0.184 nan 8.210 nan 0.000 0.470 394 Q N 4.436 124.196 119.800 -0.067 0.000 2.279 394 Q HA 0.154 4.495 4.340 0.002 0.000 0.256 394 Q C 0.543 176.262 176.000 -0.468 0.000 0.937 394 Q CA -0.056 55.635 55.803 -0.187 0.000 0.933 394 Q CB 1.676 30.372 28.738 -0.070 0.000 1.189 394 Q HN 0.612 nan 8.270 nan 0.000 0.417 395 K N 2.925 122.789 120.400 -0.894 0.000 2.127 395 K HA -0.312 4.009 4.320 0.002 0.000 0.212 395 K C 0.775 177.139 176.600 -0.393 0.000 1.050 395 K CA 2.252 57.820 56.287 -1.198 0.000 0.929 395 K CB 0.360 32.557 32.500 -0.505 0.000 0.715 395 K HN 0.460 nan 8.250 nan 0.000 0.457 396 E N -0.218 119.860 120.200 -0.202 0.000 2.023 396 E HA -0.155 4.197 4.350 0.002 0.000 0.196 396 E C 2.084 178.666 176.600 -0.031 0.000 1.003 396 E CA 2.196 58.549 56.400 -0.078 0.000 0.809 396 E CB -0.580 29.097 29.700 -0.039 0.000 0.755 396 E HN 0.322 nan 8.360 nan 0.000 0.449 397 T N 0.585 115.150 114.554 0.018 0.000 2.788 397 T HA -0.164 4.187 4.350 0.002 0.000 0.268 397 T C 1.276 176.112 174.700 0.226 0.000 1.044 397 T CA 1.132 63.327 62.100 0.158 0.000 1.139 397 T CB -0.322 68.642 68.868 0.160 0.000 0.867 397 T HN 0.378 nan 8.240 nan 0.000 0.454 398 W N 2.148 123.421 121.300 -0.046 0.000 2.379 398 W HA -0.075 4.586 4.660 0.002 0.000 0.307 398 W C 1.703 178.316 176.519 0.157 0.000 1.200 398 W CA 1.080 58.442 57.345 0.027 0.000 1.297 398 W CB -0.213 29.180 29.460 -0.112 0.000 1.140 398 W HN 0.371 nan 8.180 nan 0.000 0.507 399 E N -0.257 119.985 120.200 0.070 0.000 2.153 399 E HA -0.174 4.177 4.350 0.002 0.000 0.194 399 E C 2.014 178.382 176.600 -0.387 0.000 0.988 399 E CA 1.958 58.348 56.400 -0.016 0.000 0.811 399 E CB -0.299 29.427 29.700 0.044 0.000 0.746 399 E HN 0.133 nan 8.360 nan 0.000 0.466 400 T N -0.526 113.787 114.554 -0.401 0.000 2.904 400 T HA -0.114 4.237 4.350 0.002 0.000 0.267 400 T C 0.821 174.859 174.700 -1.102 0.000 1.059 400 T CA 1.075 62.713 62.100 -0.769 0.000 1.137 400 T CB -0.105 68.282 68.868 -0.801 0.000 0.879 400 T HN 0.371 nan 8.240 nan 0.000 0.467 401 W N -0.186 120.911 121.300 -0.338 0.000 2.873 401 W HA 0.305 4.966 4.660 0.002 0.000 0.282 401 W C 1.994 178.273 176.519 -0.401 0.000 1.118 401 W CA -1.341 55.817 57.345 -0.312 0.000 1.480 401 W CB -0.343 29.114 29.460 -0.006 0.000 0.954 401 W HN 0.239 nan 8.180 nan 0.000 0.591 402 W N 1.822 122.791 121.300 -0.551 0.000 2.318 402 W HA -0.264 4.397 4.660 0.002 0.000 0.313 402 W C 1.713 178.083 176.519 -0.249 0.000 1.221 402 W CA 2.475 59.455 57.345 -0.608 0.000 1.266 402 W CB -2.004 26.560 29.460 -1.494 0.000 1.150 402 W HN -0.012 nan 8.180 nan 0.000 0.496 403 T N -0.606 113.160 114.554 -1.314 0.000 2.918 403 T HA -0.268 4.083 4.350 0.002 0.000 0.271 403 T C 1.356 175.827 174.700 -0.380 0.000 1.104 403 T CA 1.944 63.392 62.100 -1.086 0.000 1.114 403 T CB -0.536 67.302 68.868 -1.718 0.000 0.855 403 T HN 0.196 nan 8.240 nan 0.000 0.518 404 E N -0.096 119.831 120.200 -0.456 0.000 2.489 404 E HA 0.166 4.517 4.350 0.002 0.000 0.193 404 E C 0.207 176.446 176.600 -0.602 0.000 1.057 404 E CA 0.238 56.325 56.400 -0.522 0.000 0.866 404 E CB -0.044 29.225 29.700 -0.719 0.000 0.916 404 E HN 0.880 nan 8.360 nan 0.000 0.500 405 Y N -2.716 117.635 120.300 0.084 0.000 2.666 405 Y HA 0.189 4.741 4.550 0.002 0.000 0.260 405 Y C 0.279 176.255 175.900 0.128 0.000 1.089 405 Y CA -0.940 57.209 58.100 0.081 0.000 1.246 405 Y CB 0.085 38.581 38.460 0.059 0.000 1.353 405 Y HN 0.031 nan 8.280 nan 0.000 0.558 406 W N 3.578 124.979 121.300 0.168 0.000 2.202 406 W HA 0.196 4.857 4.660 0.002 0.000 0.332 406 W C 0.134 176.708 176.519 0.092 0.000 1.263 406 W CA 0.749 58.217 57.345 0.204 0.000 1.223 406 W CB 1.122 30.845 29.460 0.439 0.000 1.128 406 W HN 0.263 nan 8.180 nan 0.000 0.573 407 Q N 2.692 122.314 119.800 -0.296 0.000 2.046 407 Q HA 0.180 4.521 4.340 0.002 0.000 0.226 407 Q C 0.355 176.161 176.000 -0.324 0.000 0.755 407 Q CA -0.221 55.454 55.803 -0.213 0.000 0.924 407 Q CB 1.150 29.728 28.738 -0.267 0.000 1.188 407 Q HN 0.394 nan 8.270 nan 0.000 0.450 408 A N 1.161 123.571 122.820 -0.684 0.000 2.386 408 A HA 0.223 4.544 4.320 0.002 0.000 0.248 408 A C 1.094 178.468 177.584 -0.350 0.000 1.082 408 A CA 0.408 51.916 52.037 -0.881 0.000 0.789 408 A CB 0.304 18.089 19.000 -2.025 0.000 1.025 408 A HN 0.256 nan 8.150 nan 0.000 0.490 409 T N -0.907 113.363 114.554 -0.473 0.000 3.169 409 T HA 0.202 4.554 4.350 0.002 0.000 0.250 409 T C 0.239 175.004 174.700 0.107 0.000 1.111 409 T CA -0.057 61.996 62.100 -0.077 0.000 1.010 409 T CB -0.565 68.308 68.868 0.008 0.000 0.984 409 T HN 0.681 nan 8.240 nan 0.000 0.537 410 W N 0.063 121.635 121.300 0.453 0.000 2.967 410 W HA 0.755 5.416 4.660 0.002 0.000 0.342 410 W C -1.472 175.356 176.519 0.514 0.000 1.162 410 W CA -1.951 55.650 57.345 0.427 0.000 1.085 410 W CB 0.861 30.589 29.460 0.447 0.000 1.460 410 W HN -0.132 nan 8.180 nan 0.000 0.584 411 I N 2.636 123.662 120.570 0.759 0.000 2.571 411 I HA 0.194 4.365 4.170 0.002 0.000 0.286 411 I C -2.159 174.089 176.117 0.220 0.000 1.134 411 I CA -2.064 59.492 61.300 0.426 0.000 1.052 411 I CB 2.201 40.217 38.000 0.026 0.000 1.237 411 I HN -0.061 nan 8.210 nan 0.000 0.435 412 P HA 0.198 nan 4.420 nan 0.000 0.274 412 P C -0.904 176.248 177.300 -0.247 0.000 1.260 412 P CA -0.246 62.957 63.100 0.171 0.000 0.793 412 P CB 0.868 32.902 31.700 0.558 0.000 1.048 413 E N -0.386 119.718 120.200 -0.160 0.000 2.248 413 E HA 0.454 4.805 4.350 0.002 0.000 0.272 413 E C -0.568 175.923 176.600 -0.181 0.000 1.008 413 E CA -0.079 56.088 56.400 -0.388 0.000 0.856 413 E CB 0.796 30.364 29.700 -0.219 0.000 1.120 413 E HN 0.519 nan 8.360 nan 0.000 0.397 414 W N -0.021 121.160 121.300 -0.199 0.000 3.363 414 W HA 0.494 5.155 4.660 0.002 0.000 0.306 414 W C -0.739 175.436 176.519 -0.573 0.000 1.253 414 W CA -0.918 56.213 57.345 -0.357 0.000 1.195 414 W CB 0.058 29.204 29.460 -0.523 0.000 1.366 414 W HN 0.492 nan 8.180 nan 0.000 0.551 415 E N 0.715 120.713 120.200 -0.337 0.000 2.393 415 E HA 0.820 5.171 4.350 0.002 0.000 0.265 415 E C -1.651 174.475 176.600 -0.789 0.000 0.941 415 E CA -1.237 54.854 56.400 -0.515 0.000 0.801 415 E CB 2.456 32.040 29.700 -0.194 0.000 1.313 415 E HN 0.319 nan 8.360 nan 0.000 0.435 416 F N 0.576 120.528 119.950 0.002 0.000 2.493 416 F HA 0.321 4.849 4.527 0.002 0.000 0.329 416 F C -0.276 175.523 175.800 -0.002 0.000 1.126 416 F CA -1.323 56.658 58.000 -0.031 0.000 0.937 416 F CB 2.136 41.121 39.000 -0.024 0.000 1.146 416 F HN 0.249 nan 8.300 nan 0.000 0.442 417 V N 5.360 125.364 119.914 0.152 0.000 2.368 417 V HA 0.278 4.399 4.120 0.002 0.000 0.266 417 V C 0.038 176.199 176.094 0.112 0.000 1.045 417 V CA -0.346 62.019 62.300 0.108 0.000 0.899 417 V CB 0.424 32.295 31.823 0.080 0.000 1.006 417 V HN 0.874 nan 8.190 nan 0.000 0.470 418 N N 3.401 122.160 118.700 0.098 0.000 2.275 418 N HA 0.125 4.867 4.740 0.002 0.000 0.236 418 N C -0.204 175.338 175.510 0.054 0.000 1.154 418 N CA -0.358 52.737 53.050 0.076 0.000 0.866 418 N CB 0.856 39.387 38.487 0.074 0.000 1.093 418 N HN 0.557 nan 8.380 nan 0.000 0.515 419 T N 2.832 117.417 114.554 0.052 0.000 2.840 419 T HA 0.341 4.693 4.350 0.002 0.000 0.287 419 T C -2.791 171.927 174.700 0.030 0.000 0.991 419 T CA -1.051 61.072 62.100 0.038 0.000 0.964 419 T CB 2.363 71.255 68.868 0.040 0.000 0.954 419 T HN 0.080 nan 8.240 nan 0.000 0.438 420 P HA 0.139 nan 4.420 nan 0.000 0.260 420 P C -2.347 174.943 177.300 -0.016 0.000 1.207 420 P CA -0.898 62.200 63.100 -0.005 0.000 0.780 420 P CB -0.378 31.308 31.700 -0.023 0.000 0.789 421 P HA 0.012 nan 4.420 nan 0.000 0.271 421 P C 0.830 178.068 177.300 -0.102 0.000 1.220 421 P CA -0.436 62.658 63.100 -0.009 0.000 0.768 421 P CB 1.034 32.756 31.700 0.037 0.000 0.848 422 L N 5.401 126.534 121.223 -0.151 0.000 2.131 422 L HA -0.158 4.183 4.340 0.002 0.000 0.210 422 L C 2.222 178.724 176.870 -0.615 0.000 1.092 422 L CA 1.550 56.178 54.840 -0.354 0.000 0.759 422 L CB -0.933 40.916 42.059 -0.349 0.000 0.903 422 L HN 0.184 nan 8.230 nan 0.000 0.435 423 V N 0.319 119.985 119.914 -0.413 0.000 2.370 423 V HA -0.420 3.701 4.120 0.002 0.000 0.252 423 V C 2.591 178.524 176.094 -0.267 0.000 1.068 423 V CA 2.043 64.137 62.300 -0.343 0.000 1.061 423 V CB -1.015 30.855 31.823 0.077 0.000 0.656 423 V HN 0.659 nan 8.190 nan 0.000 0.455 424 K N -0.379 119.927 120.400 -0.156 0.000 2.127 424 K HA -0.350 3.972 4.320 0.002 0.000 0.222 424 K C 1.989 178.526 176.600 -0.106 0.000 1.034 424 K CA 2.767 58.999 56.287 -0.091 0.000 0.955 424 K CB -0.417 32.010 32.500 -0.123 0.000 0.786 424 K HN 0.409 nan 8.250 nan 0.000 0.465 425 L N 0.092 121.169 121.223 -0.243 0.000 2.270 425 L HA -0.015 4.326 4.340 0.002 0.000 0.210 425 L C 1.983 178.787 176.870 -0.110 0.000 1.104 425 L CA 1.090 55.822 54.840 -0.180 0.000 0.804 425 L CB -0.448 41.479 42.059 -0.219 0.000 0.937 425 L HN 0.363 nan 8.230 nan 0.000 0.450 426 W N -0.692 120.414 121.300 -0.324 0.000 2.335 426 W HA -0.219 4.443 4.660 0.002 0.000 0.311 426 W C 2.426 178.684 176.519 -0.435 0.000 1.213 426 W CA 1.152 58.178 57.345 -0.532 0.000 1.274 426 W CB -1.397 27.360 29.460 -1.172 0.000 1.148 426 W HN 0.208 nan 8.180 nan 0.000 0.498 427 Y N 0.722 120.996 120.300 -0.043 0.000 2.632 427 Y HA -0.123 4.428 4.550 0.002 0.000 0.301 427 Y C 1.892 177.820 175.900 0.046 0.000 1.172 427 Y CA 0.551 58.679 58.100 0.048 0.000 1.328 427 Y CB -0.405 38.100 38.460 0.075 0.000 1.016 427 Y HN -0.095 nan 8.280 nan 0.000 0.529 428 Q N 0.000 119.880 119.800 0.133 0.000 2.315 428 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 428 Q CA 0.000 55.853 55.803 0.083 0.000 1.022 428 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481