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 1c1c_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKXXTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAH 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 0.000 177.342 177.300 0.070 0.000 1.155 1 P CA 0.000 63.131 63.100 0.052 0.000 0.800 1 P CB 0.000 31.729 31.700 0.049 0.000 0.726 2 I N -0.672 119.938 120.570 0.067 0.000 4.760 2 I HA 0.622 4.807 4.170 0.026 0.000 0.197 2 I C -0.531 175.642 176.117 0.094 0.000 1.545 2 I CA -0.554 60.796 61.300 0.083 0.000 1.246 2 I CB 1.248 39.290 38.000 0.070 0.000 1.667 2 I HN -0.121 nan 8.210 nan 0.000 0.669 3 S N 0.958 116.715 115.700 0.096 0.000 2.537 3 S HA 0.402 4.888 4.470 0.026 0.000 0.270 3 S C -2.492 172.177 174.600 0.114 0.000 1.142 3 S CA -0.477 57.795 58.200 0.120 0.000 0.870 3 S CB 2.088 65.375 63.200 0.145 0.000 1.112 3 S HN 0.491 nan 8.310 nan 0.000 0.466 4 P HA 0.411 nan 4.420 nan 0.000 0.241 4 P C -0.828 176.595 177.300 0.205 0.000 1.783 4 P CA -0.051 63.117 63.100 0.113 0.000 1.052 4 P CB -0.373 31.350 31.700 0.038 0.000 1.594 5 I N -0.421 120.268 120.570 0.198 0.000 2.428 5 I HA 0.263 4.449 4.170 0.026 0.000 0.296 5 I C 1.043 177.221 176.117 0.101 0.000 0.985 5 I CA -1.070 60.337 61.300 0.180 0.000 1.260 5 I CB 1.260 39.328 38.000 0.114 0.000 1.389 5 I HN -0.145 nan 8.210 nan 0.000 0.484 6 E N 3.409 123.656 120.200 0.079 0.000 2.415 6 E HA 0.072 4.438 4.350 0.026 0.000 0.262 6 E C -0.247 176.372 176.600 0.033 0.000 1.038 6 E CA 0.096 56.528 56.400 0.052 0.000 0.921 6 E CB 1.138 30.862 29.700 0.039 0.000 0.950 6 E HN 0.685 nan 8.360 nan 0.000 0.438 7 T N -1.443 113.131 114.554 0.035 0.000 2.934 7 T HA 0.467 4.833 4.350 0.026 0.000 0.283 7 T C 0.084 174.800 174.700 0.027 0.000 1.005 7 T CA -0.917 61.200 62.100 0.029 0.000 1.041 7 T CB 1.248 70.138 68.868 0.036 0.000 1.042 7 T HN 0.078 nan 8.240 nan 0.000 0.505 8 V N 4.101 124.031 119.914 0.027 0.000 2.439 8 V HA 0.388 4.524 4.120 0.026 0.000 0.282 8 V C -1.872 174.257 176.094 0.058 0.000 1.039 8 V CA -2.108 60.217 62.300 0.041 0.000 0.913 8 V CB 1.184 33.036 31.823 0.048 0.000 0.983 8 V HN 0.859 nan 8.190 nan 0.000 0.460 9 P HA 0.072 nan 4.420 nan 0.000 0.263 9 P C -0.599 176.747 177.300 0.078 0.000 1.276 9 P CA 0.297 63.438 63.100 0.067 0.000 0.986 9 P CB 0.395 32.127 31.700 0.052 0.000 1.105 10 V N 5.398 125.356 119.914 0.074 0.000 2.427 10 V HA 0.322 4.457 4.120 0.026 0.000 0.286 10 V C 0.672 176.861 176.094 0.158 0.000 1.034 10 V CA -0.318 62.001 62.300 0.032 0.000 0.893 10 V CB 1.579 33.275 31.823 -0.211 0.000 0.982 10 V HN 0.405 nan 8.190 nan 0.000 0.452 11 K N 3.856 124.346 120.400 0.150 0.000 2.352 11 K HA 0.733 5.069 4.320 0.026 0.000 0.240 11 K C -0.860 175.906 176.600 0.278 0.000 1.017 11 K CA -0.881 55.550 56.287 0.240 0.000 0.851 11 K CB 2.027 34.588 32.500 0.101 0.000 1.261 11 K HN 0.370 nan 8.250 nan 0.000 0.451 12 L N 1.008 122.352 121.223 0.202 0.000 2.567 12 L HA 0.336 4.692 4.340 0.026 0.000 0.238 12 L C 0.627 177.516 176.870 0.032 0.000 1.168 12 L CA -0.665 54.238 54.840 0.105 0.000 0.817 12 L CB 0.317 42.304 42.059 -0.119 0.000 1.409 12 L HN 0.427 nan 8.230 nan 0.000 0.502 13 K N 0.088 120.493 120.400 0.008 0.000 2.136 13 K HA 0.192 4.528 4.320 0.026 0.000 0.237 13 K C -2.213 174.379 176.600 -0.014 0.000 1.048 13 K CA -1.422 54.860 56.287 -0.008 0.000 0.880 13 K CB -0.101 32.398 32.500 -0.001 0.000 1.105 13 K HN 0.248 nan 8.250 nan 0.000 0.507 14 P HA -0.087 nan 4.420 nan 0.000 0.242 14 P C -0.109 177.187 177.300 -0.007 0.000 1.116 14 P CA 0.993 64.088 63.100 -0.009 0.000 0.954 14 P CB -0.331 31.365 31.700 -0.007 0.000 0.908 15 G N 2.765 111.560 108.800 -0.007 0.000 2.379 15 G HA2 -0.316 3.659 3.960 0.026 0.000 0.297 15 G HA3 -0.316 3.659 3.960 0.026 0.000 0.297 15 G C 0.265 175.159 174.900 -0.011 0.000 1.004 15 G CA 0.216 45.313 45.100 -0.005 0.000 0.921 15 G HN 0.385 nan 8.290 nan 0.000 0.511 16 M N -1.160 118.423 119.600 -0.028 0.000 2.474 16 M HA 0.637 5.133 4.480 0.026 0.000 0.238 16 M C 0.228 176.487 176.300 -0.068 0.000 1.111 16 M CA -0.570 54.711 55.300 -0.032 0.000 1.025 16 M CB 0.703 33.284 32.600 -0.031 0.000 1.348 16 M HN 0.138 nan 8.290 nan 0.000 0.579 17 D N -1.085 119.271 120.400 -0.073 0.000 2.661 17 D HA 0.420 5.075 4.640 0.026 0.000 0.228 17 D C -0.679 175.510 176.300 -0.184 0.000 1.183 17 D CA -0.212 53.727 54.000 -0.101 0.000 0.844 17 D CB 1.570 42.417 40.800 0.078 0.000 1.555 17 D HN 0.686 nan 8.370 nan 0.000 0.453 18 G N 2.105 110.595 108.800 -0.517 0.000 2.287 18 G HA2 0.217 4.192 3.960 0.026 0.000 0.235 18 G HA3 0.217 4.192 3.960 0.026 0.000 0.235 18 G C -2.222 172.721 174.900 0.071 0.000 1.258 18 G CA -0.591 44.112 45.100 -0.663 0.000 0.884 18 G HN 0.368 nan 8.290 nan 0.000 0.518 19 P HA 0.142 nan 4.420 nan 0.000 0.266 19 P C -0.175 177.301 177.300 0.293 0.000 1.193 19 P CA 0.322 63.543 63.100 0.200 0.000 0.770 19 P CB 0.407 32.228 31.700 0.202 0.000 0.836 20 K N 0.591 121.116 120.400 0.208 0.000 3.088 20 K HA 0.451 4.787 4.320 0.026 0.000 0.193 20 K C -1.352 175.314 176.600 0.110 0.000 1.176 20 K CA -0.684 55.700 56.287 0.161 0.000 0.907 20 K CB 0.524 33.096 32.500 0.120 0.000 1.139 20 K HN 0.167 nan 8.250 nan 0.000 0.597 21 V N 1.955 121.941 119.914 0.119 0.000 2.483 21 V HA 0.390 4.526 4.120 0.026 0.000 0.295 21 V C -0.251 175.894 176.094 0.086 0.000 1.035 21 V CA -0.605 61.754 62.300 0.098 0.000 0.896 21 V CB 1.375 33.272 31.823 0.123 0.000 0.986 21 V HN 0.713 nan 8.190 nan 0.000 0.447 22 K N 4.286 124.721 120.400 0.058 0.000 2.276 22 K HA 0.251 4.586 4.320 0.026 0.000 0.259 22 K C -0.220 176.423 176.600 0.072 0.000 1.001 22 K CA -0.335 55.980 56.287 0.046 0.000 0.927 22 K CB 0.522 33.030 32.500 0.014 0.000 0.969 22 K HN 0.655 nan 8.250 nan 0.000 0.490 23 Q N 2.909 122.749 119.800 0.066 0.000 2.307 23 Q HA 0.001 4.357 4.340 0.026 0.000 0.261 23 Q C -1.156 174.943 176.000 0.164 0.000 1.051 23 Q CA -0.285 55.572 55.803 0.090 0.000 0.911 23 Q CB 0.306 29.078 28.738 0.057 0.000 1.227 23 Q HN 0.626 nan 8.270 nan 0.000 0.418 24 W N 7.762 129.088 121.300 0.044 0.000 2.409 24 W HA 0.020 4.695 4.660 0.026 0.000 0.338 24 W C -2.229 174.339 176.519 0.083 0.000 1.273 24 W CA -1.145 56.285 57.345 0.143 0.000 1.299 24 W CB 0.319 30.045 29.460 0.445 0.000 1.192 24 W HN 0.583 nan 8.180 nan 0.000 0.565 25 P HA 0.286 nan 4.420 nan 0.000 0.274 25 P C -0.888 176.568 177.300 0.260 0.000 1.231 25 P CA 0.152 63.392 63.100 0.234 0.000 0.790 25 P CB 1.493 33.276 31.700 0.138 0.000 0.951 26 L N 0.233 121.531 121.223 0.126 0.000 2.341 26 L HA 0.507 4.863 4.340 0.026 0.000 0.254 26 L C 0.920 177.805 176.870 0.025 0.000 1.040 26 L CA -0.899 53.977 54.840 0.060 0.000 0.837 26 L CB 2.005 44.058 42.059 -0.011 0.000 1.425 26 L HN 0.364 nan 8.230 nan 0.000 0.414 27 T N -3.726 110.825 114.554 -0.006 0.000 2.816 27 T HA 0.157 4.522 4.350 0.026 0.000 0.282 27 T C 0.863 175.551 174.700 -0.021 0.000 0.993 27 T CA -0.176 61.925 62.100 0.001 0.000 0.994 27 T CB 1.163 70.041 68.868 0.017 0.000 1.025 27 T HN 0.838 nan 8.240 nan 0.000 0.529 28 E N 0.076 120.276 120.200 -0.000 0.000 2.153 28 E HA -0.242 4.123 4.350 0.026 0.000 0.194 28 E C 1.885 178.478 176.600 -0.012 0.000 0.988 28 E CA 1.289 57.687 56.400 -0.004 0.000 0.811 28 E CB -0.262 29.445 29.700 0.012 0.000 0.746 28 E HN 0.863 nan 8.360 nan 0.000 0.466 29 E N 1.310 121.516 120.200 0.009 0.000 2.110 29 E HA -0.212 4.153 4.350 0.026 0.000 0.193 29 E C 1.830 178.360 176.600 -0.117 0.000 0.988 29 E CA 1.235 57.662 56.400 0.046 0.000 0.804 29 E CB 0.105 29.898 29.700 0.155 0.000 0.745 29 E HN 0.258 nan 8.360 nan 0.000 0.458 30 K N -0.112 120.132 120.400 -0.260 0.000 2.186 30 K HA 0.041 4.377 4.320 0.026 0.000 0.202 30 K C 2.134 178.530 176.600 -0.340 0.000 1.052 30 K CA 0.627 56.577 56.287 -0.561 0.000 0.965 30 K CB 0.139 32.330 32.500 -0.515 0.000 0.746 30 K HN 0.191 nan 8.250 nan 0.000 0.457 31 I N 1.329 121.796 120.570 -0.173 0.000 2.163 31 I HA -0.271 3.914 4.170 0.026 0.000 0.240 31 I C 2.029 178.101 176.117 -0.075 0.000 1.081 31 I CA 1.029 62.270 61.300 -0.099 0.000 1.353 31 I CB -0.193 37.777 38.000 -0.049 0.000 1.054 31 I HN 0.020 nan 8.210 nan 0.000 0.407 32 K N 1.241 121.609 120.400 -0.053 0.000 2.059 32 K HA -0.225 4.110 4.320 0.026 0.000 0.212 32 K C 2.197 178.788 176.600 -0.014 0.000 1.050 32 K CA 1.854 58.133 56.287 -0.014 0.000 0.927 32 K CB -0.848 31.661 32.500 0.015 0.000 0.714 32 K HN 0.382 nan 8.250 nan 0.000 0.447 33 A N 1.390 124.175 122.820 -0.058 0.000 1.865 33 A HA -0.169 4.167 4.320 0.026 0.000 0.217 33 A C 2.461 180.025 177.584 -0.034 0.000 1.191 33 A CA 1.630 53.648 52.037 -0.033 0.000 0.623 33 A CB -0.807 18.083 19.000 -0.183 0.000 0.826 33 A HN 0.216 nan 8.150 nan 0.000 0.444 34 L N -0.515 120.658 121.223 -0.083 0.000 2.046 34 L HA -0.170 4.186 4.340 0.026 0.000 0.208 34 L C 2.547 179.432 176.870 0.025 0.000 1.077 34 L CA 1.141 55.956 54.840 -0.041 0.000 0.747 34 L CB -0.464 41.561 42.059 -0.056 0.000 0.896 34 L HN 0.267 nan 8.230 nan 0.000 0.432 35 V N -0.428 119.505 119.914 0.032 0.000 2.343 35 V HA -0.300 3.835 4.120 0.026 0.000 0.247 35 V C 2.444 178.570 176.094 0.053 0.000 1.051 35 V CA 1.930 64.271 62.300 0.068 0.000 1.036 35 V CB -0.474 31.374 31.823 0.040 0.000 0.654 35 V HN 0.431 nan 8.190 nan 0.000 0.451 36 E N 0.739 120.957 120.200 0.030 0.000 2.013 36 E HA -0.230 4.135 4.350 0.026 0.000 0.202 36 E C 2.002 178.607 176.600 0.007 0.000 1.018 36 E CA 2.174 58.588 56.400 0.024 0.000 0.834 36 E CB -0.440 29.279 29.700 0.033 0.000 0.770 36 E HN 0.527 nan 8.360 nan 0.000 0.459 37 I N 0.176 120.744 120.570 -0.002 0.000 2.145 37 I HA -0.431 3.755 4.170 0.026 0.000 0.244 37 I C 2.567 178.641 176.117 -0.072 0.000 1.075 37 I CA 1.346 62.623 61.300 -0.038 0.000 1.332 37 I CB -0.583 37.391 38.000 -0.044 0.000 1.033 37 I HN 0.343 nan 8.210 nan 0.000 0.410 38 C N 0.269 119.544 119.300 -0.042 0.000 2.432 38 C HA -0.165 4.311 4.460 0.026 0.000 0.277 38 C C 3.054 177.961 174.990 -0.138 0.000 1.249 38 C CA 1.566 60.519 59.018 -0.109 0.000 1.725 38 C CB -1.160 26.639 27.740 0.099 0.000 2.028 38 C HN 0.522 nan 8.230 nan 0.000 0.477 39 T N 0.176 114.725 114.554 -0.007 0.000 2.737 39 T HA -0.239 4.127 4.350 0.026 0.000 0.269 39 T C 1.696 176.368 174.700 -0.046 0.000 1.040 39 T CA 1.981 64.085 62.100 0.006 0.000 1.142 39 T CB -0.316 68.573 68.868 0.035 0.000 0.861 39 T HN 0.724 nan 8.240 nan 0.000 0.456 40 E N 0.362 120.526 120.200 -0.060 0.000 2.047 40 E HA -0.087 4.278 4.350 0.026 0.000 0.191 40 E C 2.218 178.758 176.600 -0.101 0.000 0.987 40 E CA 1.011 57.371 56.400 -0.067 0.000 0.799 40 E CB -0.141 29.521 29.700 -0.063 0.000 0.752 40 E HN 0.470 nan 8.360 nan 0.000 0.449 41 M N 0.505 120.011 119.600 -0.157 0.000 2.117 41 M HA -0.180 4.316 4.480 0.026 0.000 0.262 41 M C 2.412 178.602 176.300 -0.183 0.000 1.065 41 M CA 1.644 56.828 55.300 -0.193 0.000 1.114 41 M CB -0.338 32.096 32.600 -0.276 0.000 1.361 41 M HN 0.181 nan 8.290 nan 0.000 0.408 42 E N 0.723 120.785 120.200 -0.229 0.000 2.147 42 E HA -0.294 4.072 4.350 0.026 0.000 0.199 42 E C 1.878 178.430 176.600 -0.080 0.000 1.005 42 E CA 1.561 57.852 56.400 -0.182 0.000 0.810 42 E CB 0.121 29.752 29.700 -0.114 0.000 0.736 42 E HN 0.143 nan 8.360 nan 0.000 0.460 43 K N 0.772 121.135 120.400 -0.062 0.000 2.202 43 K HA 0.006 4.341 4.320 0.026 0.000 0.201 43 K C 1.518 178.100 176.600 -0.030 0.000 1.051 43 K CA 0.978 57.245 56.287 -0.033 0.000 0.977 43 K CB 0.169 32.656 32.500 -0.022 0.000 0.792 43 K HN 0.121 nan 8.250 nan 0.000 0.469 44 E N -0.602 119.571 120.200 -0.044 0.000 2.463 44 E HA -0.040 4.325 4.350 0.026 0.000 0.201 44 E C 0.651 177.243 176.600 -0.013 0.000 1.045 44 E CA 0.680 57.063 56.400 -0.029 0.000 0.872 44 E CB -0.049 29.623 29.700 -0.047 0.000 0.797 44 E HN 0.553 nan 8.360 nan 0.000 0.538 45 G N 1.341 110.126 108.800 -0.024 0.000 2.199 45 G HA2 -0.364 3.611 3.960 0.026 0.000 0.254 45 G HA3 -0.364 3.611 3.960 0.026 0.000 0.254 45 G C 0.947 175.853 174.900 0.011 0.000 0.982 45 G CA 0.617 45.715 45.100 -0.003 0.000 0.632 45 G HN 0.250 nan 8.290 nan 0.000 0.529 46 K N -0.031 120.371 120.400 0.003 0.000 2.097 46 K HA 0.118 4.454 4.320 0.026 0.000 0.206 46 K C 1.563 178.171 176.600 0.013 0.000 1.049 46 K CA 1.574 57.900 56.287 0.065 0.000 0.933 46 K CB -0.059 32.478 32.500 0.060 0.000 0.717 46 K HN 0.825 nan 8.250 nan 0.000 0.442 47 I N -3.679 116.812 120.570 -0.131 0.000 3.042 47 I HA 0.395 4.580 4.170 0.026 0.000 0.310 47 I C -1.009 175.019 176.117 -0.147 0.000 1.117 47 I CA -0.922 60.257 61.300 -0.201 0.000 1.003 47 I CB 2.542 40.278 38.000 -0.440 0.000 1.228 47 I HN -0.338 nan 8.210 nan 0.000 0.443 48 S N 1.970 117.632 115.700 -0.063 0.000 2.557 48 S HA 0.376 4.862 4.470 0.026 0.000 0.291 48 S C -0.686 174.018 174.600 0.175 0.000 1.116 48 S CA -0.672 57.547 58.200 0.032 0.000 0.992 48 S CB 1.687 64.898 63.200 0.018 0.000 1.028 48 S HN 0.625 nan 8.310 nan 0.000 0.484 49 K N 3.719 124.272 120.400 0.255 0.000 2.436 49 K HA 0.246 4.582 4.320 0.026 0.000 0.282 49 K C 0.251 176.843 176.600 -0.014 0.000 1.044 49 K CA 0.030 56.408 56.287 0.151 0.000 1.028 49 K CB -0.113 32.439 32.500 0.086 0.000 0.919 49 K HN 0.624 nan 8.250 nan 0.000 0.474 50 I N 0.145 120.656 120.570 -0.098 0.000 4.030 50 I HA 0.751 4.937 4.170 0.026 0.000 0.248 50 I C 0.529 176.576 176.117 -0.117 0.000 1.284 50 I CA -0.967 60.278 61.300 -0.092 0.000 1.223 50 I CB 1.301 39.248 38.000 -0.088 0.000 1.446 50 I HN 0.557 nan 8.210 nan 0.000 0.519 51 G N -0.568 108.174 108.800 -0.097 0.000 3.195 51 G HA2 0.512 4.487 3.960 0.026 0.000 0.217 51 G HA3 0.512 4.487 3.960 0.026 0.000 0.217 51 G C -2.358 172.490 174.900 -0.088 0.000 1.166 51 G CA -0.335 44.709 45.100 -0.093 0.000 0.812 51 G HN 0.510 nan 8.290 nan 0.000 0.617 52 P HA 0.081 nan 4.420 nan 0.000 0.230 52 P C 1.056 178.313 177.300 -0.072 0.000 1.168 52 P CA 0.516 63.573 63.100 -0.072 0.000 0.793 52 P CB 0.541 32.204 31.700 -0.062 0.000 0.851 53 E N 0.751 120.913 120.200 -0.063 0.000 2.273 53 E HA -0.150 4.215 4.350 0.026 0.000 0.198 53 E C 0.546 177.102 176.600 -0.073 0.000 1.002 53 E CA 0.618 56.983 56.400 -0.059 0.000 0.828 53 E CB -0.541 29.132 29.700 -0.045 0.000 0.747 53 E HN 0.166 nan 8.360 nan 0.000 0.491 54 N N 0.968 119.624 118.700 -0.074 0.000 2.406 54 N HA 0.045 4.800 4.740 0.026 0.000 0.251 54 N C -1.838 173.584 175.510 -0.147 0.000 1.069 54 N CA -1.280 51.724 53.050 -0.076 0.000 0.947 54 N CB 1.329 39.799 38.487 -0.028 0.000 1.111 54 N HN 0.005 nan 8.380 nan 0.000 0.497 55 P HA 0.033 nan 4.420 nan 0.000 0.245 55 P C -0.495 176.534 177.300 -0.451 0.000 1.206 55 P CA 0.425 63.275 63.100 -0.418 0.000 0.781 55 P CB 0.262 31.629 31.700 -0.555 0.000 0.994 56 Y N 0.428 120.753 120.300 0.041 0.000 2.432 56 Y HA 0.586 5.151 4.550 0.026 0.000 0.322 56 Y C 1.110 177.051 175.900 0.067 0.000 1.246 56 Y CA -0.591 57.555 58.100 0.077 0.000 1.268 56 Y CB 0.668 39.207 38.460 0.132 0.000 1.276 56 Y HN -0.108 nan 8.280 nan 0.000 0.499 57 N N -0.957 117.908 118.700 0.275 0.000 3.265 57 N HA 0.327 5.082 4.740 0.026 0.000 0.235 57 N C -1.985 173.656 175.510 0.218 0.000 1.343 57 N CA -0.310 52.862 53.050 0.203 0.000 0.904 57 N CB 2.106 40.664 38.487 0.119 0.000 1.492 57 N HN 0.662 nan 8.380 nan 0.000 0.504 58 T N 1.867 116.549 114.554 0.214 0.000 2.923 58 T HA 0.507 4.872 4.350 0.026 0.000 0.311 58 T C -2.861 171.864 174.700 0.042 0.000 1.183 58 T CA -0.711 61.481 62.100 0.155 0.000 1.020 58 T CB 2.394 71.373 68.868 0.184 0.000 1.165 58 T HN 0.354 nan 8.240 nan 0.000 0.482 59 P HA 0.284 nan 4.420 nan 0.000 0.271 59 P C -0.800 176.068 177.300 -0.720 0.000 1.220 59 P CA -0.235 62.685 63.100 -0.300 0.000 0.768 59 P CB 1.042 32.688 31.700 -0.091 0.000 0.848 60 V N 5.391 124.828 119.914 -0.795 0.000 2.628 60 V HA 0.622 4.758 4.120 0.026 0.000 0.306 60 V C -0.981 174.518 176.094 -0.992 0.000 1.045 60 V CA -0.557 61.267 62.300 -0.794 0.000 0.905 60 V CB 0.900 32.423 31.823 -0.501 0.000 0.997 60 V HN 0.315 nan 8.190 nan 0.000 0.436 61 F N 3.530 123.356 119.950 -0.206 0.000 2.679 61 F HA 0.902 5.444 4.527 0.026 0.000 0.341 61 F C 0.318 175.977 175.800 -0.235 0.000 1.095 61 F CA -0.620 57.233 58.000 -0.245 0.000 1.004 61 F CB 1.873 40.690 39.000 -0.304 0.000 1.388 61 F HN 0.616 nan 8.300 nan 0.000 0.505 62 A N 1.609 124.394 122.820 -0.058 0.000 2.332 62 A HA 0.802 5.138 4.320 0.026 0.000 0.300 62 A C -1.400 176.170 177.584 -0.023 0.000 1.153 62 A CA -0.447 51.455 52.037 -0.226 0.000 0.764 62 A CB 0.352 18.940 19.000 -0.688 0.000 1.174 62 A HN 0.714 nan 8.150 nan 0.000 0.467 63 I N 0.161 120.889 120.570 0.264 0.000 2.499 63 I HA 0.761 4.946 4.170 0.026 0.000 0.288 63 I C -0.594 175.795 176.117 0.455 0.000 1.048 63 I CA -1.101 60.463 61.300 0.441 0.000 1.062 63 I CB 1.985 40.084 38.000 0.164 0.000 1.238 63 I HN 0.320 nan 8.210 nan 0.000 0.426 64 K N 4.849 125.410 120.400 0.270 0.000 2.144 64 K HA 0.596 4.931 4.320 0.026 0.000 0.270 64 K C -0.492 176.069 176.600 -0.065 0.000 1.005 64 K CA -0.601 55.642 56.287 -0.074 0.000 0.932 64 K CB 1.020 33.123 32.500 -0.661 0.000 1.021 64 K HN 0.608 nan 8.250 nan 0.000 0.462 65 K N 0.925 121.292 120.400 -0.055 0.000 2.502 65 K HA 0.324 4.660 4.320 0.026 0.000 0.252 65 K C -0.099 176.460 176.600 -0.069 0.000 1.043 65 K CA -0.897 55.364 56.287 -0.043 0.000 0.999 65 K CB 0.749 33.240 32.500 -0.015 0.000 1.343 65 K HN 0.713 nan 8.250 nan 0.000 0.513 70 K N 1.097 121.404 120.400 -0.154 0.000 2.138 70 K HA 0.504 4.840 4.320 0.026 0.000 0.263 70 K C -0.786 175.785 176.600 -0.048 0.000 0.965 70 K CA -0.833 55.401 56.287 -0.090 0.000 0.868 70 K CB 1.303 33.795 32.500 -0.013 0.000 1.083 70 K HN 0.433 nan 8.250 nan 0.000 0.443 71 W N 4.282 125.576 121.300 -0.011 0.000 2.419 71 W HA 0.182 4.857 4.660 0.026 0.000 0.312 71 W C 0.450 176.958 176.519 -0.019 0.000 1.323 71 W CA -0.649 56.688 57.345 -0.013 0.000 1.293 71 W CB 0.733 30.188 29.460 -0.009 0.000 1.324 71 W HN 0.349 nan 8.180 nan 0.000 0.512 72 R N 2.734 123.439 120.500 0.341 0.000 2.668 72 R HA 0.423 4.778 4.340 0.026 0.000 0.279 72 R C -0.266 176.108 176.300 0.123 0.000 0.976 72 R CA -1.140 55.058 56.100 0.163 0.000 0.978 72 R CB 1.722 32.087 30.300 0.109 0.000 1.133 72 R HN 0.347 nan 8.270 nan 0.000 0.484 73 K N 0.748 121.170 120.400 0.038 0.000 2.123 73 K HA 0.598 4.933 4.320 0.026 0.000 0.248 73 K C -1.202 175.394 176.600 -0.006 0.000 0.969 73 K CA -0.816 55.459 56.287 -0.020 0.000 0.882 73 K CB 1.299 33.746 32.500 -0.089 0.000 1.080 73 K HN 0.286 nan 8.250 nan 0.000 0.441 74 L N 1.692 122.892 121.223 -0.039 0.000 2.476 74 L HA 0.417 4.773 4.340 0.026 0.000 0.269 74 L C -1.807 174.982 176.870 -0.136 0.000 0.965 74 L CA -0.599 54.231 54.840 -0.016 0.000 0.845 74 L CB 2.262 44.362 42.059 0.069 0.000 1.259 74 L HN 0.610 nan 8.230 nan 0.000 0.403 75 V N 3.628 123.412 119.914 -0.217 0.000 2.394 75 V HA 0.379 4.514 4.120 0.026 0.000 0.282 75 V C -0.490 175.333 176.094 -0.453 0.000 1.031 75 V CA -0.542 61.467 62.300 -0.485 0.000 0.881 75 V CB 1.535 32.942 31.823 -0.694 0.000 0.982 75 V HN 0.697 nan 8.190 nan 0.000 0.451 76 D N 3.475 123.671 120.400 -0.341 0.000 2.411 76 D HA 0.283 4.938 4.640 0.026 0.000 0.225 76 D C 0.278 176.503 176.300 -0.126 0.000 1.156 76 D CA -0.031 53.921 54.000 -0.079 0.000 0.874 76 D CB 0.545 41.475 40.800 0.216 0.000 1.034 76 D HN 0.458 nan 8.370 nan 0.000 0.502 77 F N 2.136 122.186 119.950 0.167 0.000 2.727 77 F HA 0.180 4.723 4.527 0.026 0.000 0.302 77 F C 2.153 178.075 175.800 0.203 0.000 1.097 77 F CA -0.477 57.648 58.000 0.209 0.000 1.330 77 F CB 0.341 39.505 39.000 0.273 0.000 1.084 77 F HN 0.197 nan 8.300 nan 0.000 0.578 78 R N 0.590 121.272 120.500 0.303 0.000 2.134 78 R HA -0.222 4.133 4.340 0.026 0.000 0.248 78 R C 1.908 178.339 176.300 0.219 0.000 1.143 78 R CA 1.799 58.033 56.100 0.223 0.000 0.957 78 R CB -0.398 30.005 30.300 0.171 0.000 0.867 78 R HN 0.280 nan 8.270 nan 0.000 0.441 79 E N 0.687 121.027 120.200 0.232 0.000 2.017 79 E HA -0.181 4.185 4.350 0.026 0.000 0.193 79 E C 2.041 178.777 176.600 0.226 0.000 0.997 79 E CA 0.842 57.363 56.400 0.203 0.000 0.804 79 E CB -0.503 29.314 29.700 0.194 0.000 0.757 79 E HN 0.124 nan 8.360 nan 0.000 0.448 80 L N 2.455 123.866 121.223 0.313 0.000 1.956 80 L HA -0.227 4.128 4.340 0.026 0.000 0.216 80 L C 1.655 178.735 176.870 0.350 0.000 1.073 80 L CA 1.888 56.929 54.840 0.335 0.000 0.762 80 L CB -1.142 41.188 42.059 0.452 0.000 0.889 80 L HN 0.042 nan 8.230 nan 0.000 0.433 81 N N 0.069 118.995 118.700 0.376 0.000 2.187 81 N HA -0.293 4.463 4.740 0.026 0.000 0.194 81 N C 1.837 177.443 175.510 0.158 0.000 1.002 81 N CA 1.766 54.953 53.050 0.229 0.000 0.882 81 N CB -0.399 38.183 38.487 0.159 0.000 1.003 81 N HN 0.535 nan 8.380 nan 0.000 0.443 82 K N 0.978 121.472 120.400 0.157 0.000 2.116 82 K HA 0.036 4.372 4.320 0.026 0.000 0.203 82 K C 0.997 177.655 176.600 0.096 0.000 1.052 82 K CA 0.690 57.041 56.287 0.107 0.000 0.952 82 K CB 0.175 32.736 32.500 0.100 0.000 0.729 82 K HN 0.099 nan 8.250 nan 0.000 0.446 83 R N 0.780 121.350 120.500 0.116 0.000 2.449 83 R HA 0.109 4.465 4.340 0.026 0.000 0.262 83 R C -0.409 175.965 176.300 0.123 0.000 1.006 83 R CA 0.023 56.167 56.100 0.073 0.000 1.104 83 R CB 0.730 31.039 30.300 0.015 0.000 1.206 83 R HN -0.021 nan 8.270 nan 0.000 0.538 84 T N 1.848 116.518 114.554 0.193 0.000 2.794 84 T HA 0.115 4.481 4.350 0.026 0.000 0.280 84 T C 0.121 174.874 174.700 0.089 0.000 0.987 84 T CA -0.692 61.576 62.100 0.280 0.000 0.993 84 T CB 1.652 70.778 68.868 0.430 0.000 0.939 84 T HN 0.279 nan 8.240 nan 0.000 0.449 85 Q N 2.954 122.756 119.800 0.002 0.000 2.839 85 Q HA 0.120 4.475 4.340 0.026 0.000 0.229 85 Q C -0.615 175.169 176.000 -0.361 0.000 1.140 85 Q CA 0.051 55.741 55.803 -0.188 0.000 1.077 85 Q CB 0.477 29.044 28.738 -0.285 0.000 1.335 85 Q HN 0.473 nan 8.270 nan 0.000 0.610 86 D N -0.612 119.558 120.400 -0.384 0.000 2.332 86 D HA 0.434 5.089 4.640 0.026 0.000 0.252 86 D C -0.768 175.166 176.300 -0.611 0.000 1.050 86 D CA -0.203 53.608 54.000 -0.315 0.000 0.970 86 D CB 0.773 41.518 40.800 -0.092 0.000 1.141 86 D HN 0.348 nan 8.370 nan 0.000 0.485 87 F N -0.677 119.274 119.950 0.002 0.000 2.740 87 F HA 0.346 4.889 4.527 0.026 0.000 0.357 87 F C -0.175 175.739 175.800 0.189 0.000 1.141 87 F CA -1.099 56.926 58.000 0.041 0.000 1.044 87 F CB 1.149 40.120 39.000 -0.049 0.000 1.430 87 F HN 0.238 nan 8.300 nan 0.000 0.518 88 W N 2.642 124.024 121.300 0.137 0.000 2.331 88 W HA 0.308 4.984 4.660 0.026 0.000 0.306 88 W C -0.454 176.087 176.519 0.038 0.000 1.162 88 W CA -1.117 56.259 57.345 0.051 0.000 1.232 88 W CB 1.020 30.496 29.460 0.027 0.000 1.235 88 W HN 0.591 nan 8.180 nan 0.000 0.479 89 E N 2.297 122.277 120.200 -0.366 0.000 3.056 89 E HA -0.146 4.220 4.350 0.026 0.000 0.264 89 E C -0.308 176.116 176.600 -0.293 0.000 0.899 89 E CA 0.148 56.328 56.400 -0.366 0.000 0.966 89 E CB 0.296 29.687 29.700 -0.514 0.000 0.913 89 E HN 0.230 nan 8.360 nan 0.000 0.522 90 V N 5.423 125.232 119.914 -0.176 0.000 2.149 90 V HA 0.001 4.137 4.120 0.026 0.000 0.245 90 V C 0.000 176.026 176.094 -0.115 0.000 1.349 90 V CA 0.556 62.774 62.300 -0.136 0.000 1.289 90 V CB -1.459 30.279 31.823 -0.141 0.000 1.401 90 V HN 0.859 nan 8.190 nan 0.000 0.501 91 Q N 3.690 123.421 119.800 -0.114 0.000 2.630 91 Q HA -0.156 4.200 4.340 0.026 0.000 0.210 91 Q C -0.362 175.619 176.000 -0.031 0.000 1.400 91 Q CA 0.298 56.073 55.803 -0.046 0.000 0.668 91 Q CB -0.116 28.644 28.738 0.036 0.000 0.781 91 Q HN 0.670 nan 8.270 nan 0.000 0.311 92 L N 2.347 123.534 121.223 -0.060 0.000 2.638 92 L HA 0.286 4.642 4.340 0.026 0.000 0.232 92 L C 1.129 178.005 176.870 0.009 0.000 1.099 92 L CA 1.636 56.453 54.840 -0.039 0.000 0.883 92 L CB 0.603 42.606 42.059 -0.093 0.000 1.136 92 L HN 0.584 nan 8.230 nan 0.000 0.492 93 G N 2.205 111.017 108.800 0.020 0.000 2.428 93 G HA2 0.472 4.448 3.960 0.026 0.000 0.320 93 G HA3 0.472 4.448 3.960 0.026 0.000 0.320 93 G C 0.065 175.031 174.900 0.110 0.000 1.098 93 G CA -0.168 44.958 45.100 0.043 0.000 0.984 93 G HN -0.008 nan 8.290 nan 0.000 0.444 94 I N 1.323 121.985 120.570 0.154 0.000 2.783 94 I HA 0.685 4.870 4.170 0.026 0.000 0.312 94 I C -2.093 174.113 176.117 0.149 0.000 0.988 94 I CA -3.429 58.027 61.300 0.260 0.000 1.182 94 I CB 0.775 39.028 38.000 0.421 0.000 1.368 94 I HN 0.203 nan 8.210 nan 0.000 0.511 95 P HA 0.241 nan 4.420 nan 0.000 0.275 95 P C -1.292 176.036 177.300 0.047 0.000 1.228 95 P CA 0.227 63.261 63.100 -0.111 0.000 0.786 95 P CB 0.573 31.993 31.700 -0.465 0.000 0.927 96 H N 2.569 121.564 119.070 -0.125 0.000 2.467 96 H HA 0.264 4.835 4.556 0.026 0.000 0.326 96 H C -1.597 173.606 175.328 -0.208 0.000 1.094 96 H CA -1.763 54.213 56.048 -0.121 0.000 1.253 96 H CB 1.318 30.958 29.762 -0.204 0.000 1.439 96 H HN 0.190 nan 8.280 nan 0.000 0.479 97 P HA -0.277 nan 4.420 nan 0.000 0.218 97 P C 0.936 178.163 177.300 -0.122 0.000 1.154 97 P CA 2.273 65.147 63.100 -0.377 0.000 0.872 97 P CB 0.049 31.251 31.700 -0.829 0.000 0.790 98 A N -0.869 121.922 122.820 -0.049 0.000 2.186 98 A HA -0.053 4.282 4.320 0.026 0.000 0.219 98 A C 2.138 179.920 177.584 0.330 0.000 1.159 98 A CA 1.835 54.020 52.037 0.248 0.000 0.680 98 A CB -1.456 17.767 19.000 0.371 0.000 0.787 98 A HN 0.353 nan 8.150 nan 0.000 0.467 99 G N -1.345 107.473 108.800 0.031 0.000 3.159 99 G HA2 0.427 4.402 3.960 0.026 0.000 0.232 99 G HA3 0.427 4.402 3.960 0.026 0.000 0.232 99 G C 0.361 175.362 174.900 0.167 0.000 1.116 99 G CA -0.362 44.707 45.100 -0.052 0.000 0.767 99 G HN 0.353 nan 8.290 nan 0.000 0.547 100 L N 0.622 121.952 121.223 0.179 0.000 2.418 100 L HA 0.390 4.746 4.340 0.026 0.000 0.265 100 L C 0.237 177.229 176.870 0.202 0.000 1.143 100 L CA -0.397 54.499 54.840 0.094 0.000 0.809 100 L CB 1.104 43.136 42.059 -0.044 0.000 1.124 100 L HN -0.078 nan 8.230 nan 0.000 0.456 101 K N 1.590 122.021 120.400 0.053 0.000 2.123 101 K HA 0.297 4.633 4.320 0.026 0.000 0.259 101 K C -0.602 175.921 176.600 -0.129 0.000 0.960 101 K CA -0.890 55.425 56.287 0.046 0.000 0.872 101 K CB 1.466 33.974 32.500 0.012 0.000 1.079 101 K HN 0.437 nan 8.250 nan 0.000 0.440 102 K N 2.162 122.527 120.400 -0.059 0.000 2.326 102 K HA 0.167 4.503 4.320 0.026 0.000 0.275 102 K C -0.489 176.050 176.600 -0.102 0.000 1.018 102 K CA -0.267 55.930 56.287 -0.150 0.000 0.962 102 K CB 0.620 33.176 32.500 0.092 0.000 0.953 102 K HN 0.149 nan 8.250 nan 0.000 0.475 103 K N 3.003 123.329 120.400 -0.123 0.000 2.316 103 K HA 0.189 4.524 4.320 0.026 0.000 0.251 103 K C 0.185 176.749 176.600 -0.061 0.000 0.934 103 K CA -0.792 55.451 56.287 -0.073 0.000 0.802 103 K CB 1.780 34.238 32.500 -0.070 0.000 1.171 103 K HN 0.572 nan 8.250 nan 0.000 0.426 104 K N 0.477 120.839 120.400 -0.062 0.000 2.209 104 K HA 0.007 4.342 4.320 0.026 0.000 0.204 104 K C 0.016 176.537 176.600 -0.131 0.000 1.048 104 K CA 0.990 57.236 56.287 -0.069 0.000 0.940 104 K CB 0.206 32.672 32.500 -0.057 0.000 0.729 104 K HN 0.417 nan 8.250 nan 0.000 0.451 105 S N -0.723 114.841 115.700 -0.227 0.000 2.547 105 S HA 0.409 4.895 4.470 0.026 0.000 0.270 105 S C -1.443 173.017 174.600 -0.234 0.000 1.150 105 S CA -0.908 57.076 58.200 -0.360 0.000 0.850 105 S CB 2.721 65.366 63.200 -0.926 0.000 1.118 105 S HN -0.169 nan 8.310 nan 0.000 0.461 106 V N 2.276 122.187 119.914 -0.005 0.000 2.532 106 V HA 0.483 4.619 4.120 0.026 0.000 0.294 106 V C -0.700 175.592 176.094 0.331 0.000 1.036 106 V CA -0.416 62.008 62.300 0.206 0.000 0.876 106 V CB 1.896 33.889 31.823 0.284 0.000 1.012 106 V HN 0.934 nan 8.190 nan 0.000 0.432 107 T N 3.993 118.758 114.554 0.351 0.000 2.824 107 T HA 0.540 4.906 4.350 0.026 0.000 0.280 107 T C -0.564 174.199 174.700 0.104 0.000 0.995 107 T CA -0.364 61.898 62.100 0.270 0.000 1.009 107 T CB 1.955 70.972 68.868 0.250 0.000 0.955 107 T HN 0.493 nan 8.240 nan 0.000 0.452 108 V N 5.432 125.377 119.914 0.053 0.000 2.347 108 V HA 0.578 4.714 4.120 0.026 0.000 0.280 108 V C -1.158 174.857 176.094 -0.131 0.000 1.021 108 V CA -0.794 61.389 62.300 -0.195 0.000 0.847 108 V CB 0.705 32.284 31.823 -0.407 0.000 0.990 108 V HN 0.617 nan 8.190 nan 0.000 0.444 109 L N 5.876 126.997 121.223 -0.170 0.000 2.307 109 L HA 0.579 4.934 4.340 0.026 0.000 0.282 109 L C 0.080 176.886 176.870 -0.105 0.000 1.051 109 L CA 0.192 54.973 54.840 -0.099 0.000 0.804 109 L CB 1.369 43.374 42.059 -0.090 0.000 1.197 109 L HN 0.692 nan 8.230 nan 0.000 0.431 110 D N 2.176 122.551 120.400 -0.042 0.000 2.274 110 D HA 0.299 4.954 4.640 0.026 0.000 0.239 110 D C -0.136 176.168 176.300 0.006 0.000 1.104 110 D CA -0.158 53.828 54.000 -0.023 0.000 0.840 110 D CB 1.506 42.309 40.800 0.004 0.000 1.100 110 D HN 0.277 nan 8.370 nan 0.000 0.477 111 V N 2.475 122.405 119.914 0.027 0.000 2.759 111 V HA 0.483 4.619 4.120 0.026 0.000 0.342 111 V C 1.329 177.452 176.094 0.048 0.000 1.228 111 V CA -0.034 62.312 62.300 0.077 0.000 1.302 111 V CB 0.399 32.323 31.823 0.169 0.000 1.496 111 V HN 0.474 nan 8.190 nan 0.000 0.628 112 G N 2.775 111.576 108.800 0.002 0.000 2.877 112 G HA2 -0.305 3.671 3.960 0.026 0.000 0.211 112 G HA3 -0.305 3.671 3.960 0.026 0.000 0.211 112 G C 1.000 175.886 174.900 -0.024 0.000 1.367 112 G CA 1.442 46.517 45.100 -0.041 0.000 0.807 112 G HN 0.792 nan 8.290 nan 0.000 0.666 113 D N 1.446 121.862 120.400 0.028 0.000 2.421 113 D HA -0.015 4.641 4.640 0.026 0.000 0.223 113 D C 2.160 178.542 176.300 0.137 0.000 0.979 113 D CA 1.234 55.311 54.000 0.128 0.000 0.959 113 D CB -0.702 40.170 40.800 0.119 0.000 0.874 113 D HN 0.370 nan 8.370 nan 0.000 0.513 114 A N -0.005 122.841 122.820 0.044 0.000 1.997 114 A HA -0.267 4.068 4.320 0.026 0.000 0.221 114 A C 1.877 179.387 177.584 -0.124 0.000 1.172 114 A CA 1.341 53.383 52.037 0.009 0.000 0.645 114 A CB -1.160 17.857 19.000 0.029 0.000 0.813 114 A HN 0.308 nan 8.150 nan 0.000 0.454 115 Y N -1.561 118.437 120.300 -0.504 0.000 2.165 115 Y HA -0.183 4.383 4.550 0.026 0.000 0.286 115 Y C 1.723 177.448 175.900 -0.291 0.000 1.155 115 Y CA 1.552 59.339 58.100 -0.520 0.000 1.164 115 Y CB -0.611 37.488 38.460 -0.603 0.000 0.978 115 Y HN 0.363 nan 8.280 nan 0.000 0.513 116 F N -2.051 117.955 119.950 0.093 0.000 2.773 116 F HA 0.086 4.628 4.527 0.026 0.000 0.304 116 F C 2.175 178.027 175.800 0.088 0.000 1.129 116 F CA 0.424 58.490 58.000 0.110 0.000 1.378 116 F CB -0.085 38.981 39.000 0.111 0.000 1.095 116 F HN -0.126 nan 8.300 nan 0.000 0.565 117 S N -1.095 114.729 115.700 0.207 0.000 2.497 117 S HA 0.180 4.666 4.470 0.026 0.000 0.221 117 S C 0.650 175.335 174.600 0.142 0.000 1.037 117 S CA 0.048 58.347 58.200 0.166 0.000 0.920 117 S CB 0.122 63.412 63.200 0.150 0.000 0.800 117 S HN -0.136 nan 8.310 nan 0.000 0.505 118 V N 5.002 124.992 119.914 0.126 0.000 2.546 118 V HA 0.392 4.528 4.120 0.026 0.000 0.284 118 V C -2.107 174.037 176.094 0.084 0.000 1.050 118 V CA -1.962 60.398 62.300 0.101 0.000 0.981 118 V CB 1.305 33.185 31.823 0.095 0.000 0.990 118 V HN 0.327 nan 8.190 nan 0.000 0.474 119 P HA 0.211 nan 4.420 nan 0.000 0.274 119 P C -0.638 176.687 177.300 0.042 0.000 1.246 119 P CA -0.267 62.874 63.100 0.068 0.000 0.795 119 P CB 1.459 33.198 31.700 0.066 0.000 1.006 120 L N 0.940 122.185 121.223 0.037 0.000 2.365 120 L HA 0.316 4.671 4.340 0.026 0.000 0.267 120 L C 0.609 177.491 176.870 0.021 0.000 1.033 120 L CA -0.739 54.100 54.840 -0.002 0.000 0.802 120 L CB 1.345 43.392 42.059 -0.020 0.000 1.267 120 L HN 0.370 nan 8.230 nan 0.000 0.457 121 D N 1.617 122.027 120.400 0.016 0.000 2.363 121 D HA -0.070 4.586 4.640 0.026 0.000 0.263 121 D C 1.154 177.503 176.300 0.082 0.000 1.258 121 D CA -0.017 54.019 54.000 0.060 0.000 0.907 121 D CB 0.971 41.822 40.800 0.084 0.000 1.107 121 D HN 0.470 nan 8.370 nan 0.000 0.495 122 E N 3.175 123.408 120.200 0.056 0.000 2.233 122 E HA -0.263 4.102 4.350 0.026 0.000 0.199 122 E C 0.447 177.061 176.600 0.025 0.000 1.004 122 E CA 1.186 57.608 56.400 0.037 0.000 0.819 122 E CB -0.094 29.624 29.700 0.031 0.000 0.738 122 E HN 0.475 nan 8.360 nan 0.000 0.478 123 D N -0.565 119.870 120.400 0.057 0.000 2.323 123 D HA 0.025 4.680 4.640 0.026 0.000 0.209 123 D C 1.313 177.619 176.300 0.010 0.000 0.973 123 D CA 0.351 54.377 54.000 0.042 0.000 0.874 123 D CB -0.334 40.522 40.800 0.093 0.000 0.930 123 D HN 0.192 nan 8.370 nan 0.000 0.521 124 F N 1.258 121.144 119.950 -0.107 0.000 2.374 124 F HA 0.129 4.672 4.527 0.026 0.000 0.291 124 F C 1.874 177.478 175.800 -0.325 0.000 1.084 124 F CA 0.342 58.251 58.000 -0.153 0.000 1.413 124 F CB 0.207 39.168 39.000 -0.064 0.000 1.099 124 F HN -0.264 nan 8.300 nan 0.000 0.534 125 R N 0.940 121.390 120.500 -0.083 0.000 2.316 125 R HA -0.245 4.111 4.340 0.026 0.000 0.257 125 R C 1.842 178.013 176.300 -0.216 0.000 1.198 125 R CA 1.796 57.834 56.100 -0.103 0.000 1.026 125 R CB -0.688 29.597 30.300 -0.024 0.000 0.872 125 R HN 0.453 nan 8.270 nan 0.000 0.482 126 K N -0.651 119.472 120.400 -0.462 0.000 2.167 126 K HA -0.089 4.247 4.320 0.026 0.000 0.203 126 K C 1.061 177.436 176.600 -0.375 0.000 1.052 126 K CA 1.066 57.115 56.287 -0.396 0.000 0.956 126 K CB -0.161 32.095 32.500 -0.407 0.000 0.735 126 K HN 0.169 nan 8.250 nan 0.000 0.451 127 Y N 2.743 122.818 120.300 -0.375 0.000 2.571 127 Y HA -0.048 4.518 4.550 0.026 0.000 0.294 127 Y C 2.376 178.203 175.900 -0.121 0.000 1.141 127 Y CA 0.978 58.809 58.100 -0.448 0.000 1.308 127 Y CB -0.828 37.134 38.460 -0.829 0.000 1.002 127 Y HN 0.275 nan 8.280 nan 0.000 0.551 128 T N -2.686 111.891 114.554 0.038 0.000 3.081 128 T HA 0.371 4.737 4.350 0.026 0.000 0.255 128 T C 1.122 176.091 174.700 0.448 0.000 1.113 128 T CA 0.162 62.447 62.100 0.308 0.000 1.082 128 T CB -0.513 68.504 68.868 0.250 0.000 0.939 128 T HN 0.217 nan 8.240 nan 0.000 0.506 129 A N 2.029 124.984 122.820 0.226 0.000 2.584 129 A HA 0.453 4.789 4.320 0.026 0.000 0.239 129 A C 0.056 177.760 177.584 0.200 0.000 1.043 129 A CA -0.172 51.930 52.037 0.108 0.000 0.756 129 A CB -0.787 18.248 19.000 0.058 0.000 0.963 129 A HN 0.738 nan 8.150 nan 0.000 0.511 130 F N -0.395 119.630 119.950 0.125 0.000 2.650 130 F HA 0.858 5.401 4.527 0.026 0.000 0.320 130 F C -0.233 175.581 175.800 0.023 0.000 1.091 130 F CA -0.961 57.078 58.000 0.065 0.000 0.962 130 F CB 1.330 40.354 39.000 0.041 0.000 1.363 130 F HN 0.312 nan 8.300 nan 0.000 0.482 131 T N 2.080 116.775 114.554 0.236 0.000 2.848 131 T HA 0.541 4.907 4.350 0.026 0.000 0.285 131 T C -0.591 174.188 174.700 0.132 0.000 0.995 131 T CA -0.454 61.699 62.100 0.089 0.000 0.970 131 T CB 1.306 70.182 68.868 0.014 0.000 0.976 131 T HN 0.556 nan 8.240 nan 0.000 0.441 132 I N 6.382 127.001 120.570 0.082 0.000 2.281 132 I HA 0.239 4.425 4.170 0.026 0.000 0.293 132 I C -1.690 174.431 176.117 0.007 0.000 1.085 132 I CA -2.162 59.176 61.300 0.064 0.000 1.257 132 I CB 0.742 38.787 38.000 0.075 0.000 1.430 132 I HN 0.333 nan 8.210 nan 0.000 0.489 133 P HA -0.058 nan 4.420 nan 0.000 0.272 133 P C -0.180 177.116 177.300 -0.006 0.000 1.239 133 P CA -0.045 63.058 63.100 0.006 0.000 0.807 133 P CB 0.874 32.589 31.700 0.025 0.000 0.951 134 S N -0.739 114.958 115.700 -0.006 0.000 2.664 134 S HA 0.412 4.898 4.470 0.026 0.000 0.304 134 S C -0.000 174.599 174.600 -0.001 0.000 1.099 134 S CA -0.768 57.427 58.200 -0.009 0.000 1.003 134 S CB 0.028 63.220 63.200 -0.014 0.000 1.092 134 S HN 0.193 nan 8.310 nan 0.000 0.525 135 I N 4.743 125.312 120.570 -0.002 0.000 3.197 135 I HA -0.059 4.126 4.170 0.026 0.000 0.293 135 I C 0.894 177.016 176.117 0.008 0.000 1.227 135 I CA 0.886 62.188 61.300 0.004 0.000 1.369 135 I CB -1.393 36.610 38.000 0.004 0.000 1.441 135 I HN 0.656 nan 8.210 nan 0.000 0.539 136 N N 5.790 124.500 118.700 0.016 0.000 2.456 136 N HA -0.300 4.455 4.740 0.026 0.000 0.297 136 N C 0.348 175.866 175.510 0.012 0.000 1.441 136 N CA 0.806 53.867 53.050 0.020 0.000 0.649 136 N CB -0.459 38.039 38.487 0.019 0.000 0.983 136 N HN 0.823 nan 8.380 nan 0.000 0.488 137 N N 1.047 119.755 118.700 0.013 0.000 2.730 137 N HA -0.246 4.510 4.740 0.026 0.000 0.266 137 N C 0.087 175.596 175.510 -0.001 0.000 0.949 137 N CA 1.983 55.036 53.050 0.005 0.000 0.829 137 N CB -0.114 38.374 38.487 0.002 0.000 0.916 137 N HN 0.690 nan 8.380 nan 0.000 0.558 138 E N -0.966 119.232 120.200 -0.003 0.000 3.884 138 E HA 0.201 4.566 4.350 0.026 0.000 0.434 138 E C 0.527 177.120 176.600 -0.012 0.000 0.672 138 E CA 0.048 56.444 56.400 -0.007 0.000 2.669 138 E CB 0.045 29.741 29.700 -0.007 0.000 2.107 138 E HN 0.515 nan 8.360 nan 0.000 0.613 139 T N 0.460 115.005 114.554 -0.015 0.000 2.903 139 T HA 0.142 4.507 4.350 0.026 0.000 0.314 139 T C -2.362 172.322 174.700 -0.026 0.000 1.078 139 T CA -1.430 60.657 62.100 -0.021 0.000 1.114 139 T CB 0.262 69.116 68.868 -0.023 0.000 0.987 139 T HN 0.006 nan 8.240 nan 0.000 0.548 140 P HA 0.183 nan 4.420 nan 0.000 0.268 140 P C 0.749 178.020 177.300 -0.048 0.000 1.189 140 P CA 0.194 63.271 63.100 -0.038 0.000 0.771 140 P CB 0.013 31.686 31.700 -0.045 0.000 0.822 141 G N 1.435 110.204 108.800 -0.053 0.000 2.543 141 G HA2 0.434 4.410 3.960 0.026 0.000 0.267 141 G HA3 0.434 4.410 3.960 0.026 0.000 0.267 141 G C -0.539 174.290 174.900 -0.118 0.000 1.406 141 G CA -0.533 44.527 45.100 -0.066 0.000 1.048 141 G HN 0.392 nan 8.290 nan 0.000 0.548 142 I N 0.819 121.298 120.570 -0.152 0.000 2.371 142 I HA 0.323 4.509 4.170 0.026 0.000 0.290 142 I C 0.362 176.233 176.117 -0.409 0.000 1.028 142 I CA -0.297 60.825 61.300 -0.296 0.000 1.345 142 I CB 0.757 38.564 38.000 -0.322 0.000 1.407 142 I HN 0.266 nan 8.210 nan 0.000 0.501 143 R N 6.382 126.591 120.500 -0.485 0.000 2.346 143 R HA 0.585 4.940 4.340 0.026 0.000 0.311 143 R C -1.113 174.793 176.300 -0.656 0.000 0.983 143 R CA -0.488 55.334 56.100 -0.463 0.000 0.880 143 R CB 1.611 31.744 30.300 -0.277 0.000 1.100 143 R HN 0.538 nan 8.270 nan 0.000 0.453 144 Y N 0.417 120.364 120.300 -0.588 0.000 2.698 144 Y HA 0.299 4.864 4.550 0.026 0.000 0.332 144 Y C -0.236 175.249 175.900 -0.691 0.000 1.119 144 Y CA -1.028 56.660 58.100 -0.688 0.000 1.109 144 Y CB 2.631 40.534 38.460 -0.928 0.000 1.308 144 Y HN 0.465 nan 8.280 nan 0.000 0.499 145 Q N -0.244 119.426 119.800 -0.217 0.000 2.468 145 Q HA 0.329 4.684 4.340 0.026 0.000 0.263 145 Q C -2.358 173.668 176.000 0.043 0.000 0.979 145 Q CA -0.979 54.795 55.803 -0.048 0.000 0.932 145 Q CB 1.107 29.832 28.738 -0.021 0.000 1.462 145 Q HN 0.595 nan 8.270 nan 0.000 0.403 146 Y N 2.338 122.735 120.300 0.163 0.000 2.544 146 Y HA 0.106 4.671 4.550 0.026 0.000 0.330 146 Y C 0.956 176.894 175.900 0.064 0.000 1.136 146 Y CA 0.668 58.861 58.100 0.154 0.000 1.417 146 Y CB 0.669 39.238 38.460 0.182 0.000 1.229 146 Y HN 0.721 nan 8.280 nan 0.000 0.532 147 N N 1.537 120.372 118.700 0.225 0.000 2.388 147 N HA 0.028 4.784 4.740 0.026 0.000 0.176 147 N C -0.101 175.501 175.510 0.153 0.000 1.062 147 N CA 0.509 53.641 53.050 0.137 0.000 0.895 147 N CB 0.481 39.019 38.487 0.086 0.000 1.018 147 N HN 0.392 nan 8.380 nan 0.000 0.456 148 V N -1.547 118.514 119.914 0.246 0.000 3.096 148 V HA 0.476 4.612 4.120 0.026 0.000 0.319 148 V C 0.279 176.450 176.094 0.128 0.000 1.103 148 V CA -1.254 61.165 62.300 0.199 0.000 1.016 148 V CB 1.274 33.257 31.823 0.267 0.000 1.090 148 V HN -0.223 nan 8.190 nan 0.000 0.449 149 L N 4.223 125.459 121.223 0.021 0.000 2.654 149 L HA 0.274 4.630 4.340 0.026 0.000 0.271 149 L C -1.951 174.767 176.870 -0.254 0.000 1.169 149 L CA -0.796 53.990 54.840 -0.090 0.000 0.947 149 L CB -0.328 41.682 42.059 -0.082 0.000 1.232 149 L HN 0.643 nan 8.230 nan 0.000 0.486 150 P HA 0.019 nan 4.420 nan 0.000 0.281 150 P C -0.650 176.408 177.300 -0.404 0.000 1.252 150 P CA -0.614 61.984 63.100 -0.837 0.000 0.778 150 P CB 0.763 31.700 31.700 -1.270 0.000 0.895 151 Q N 1.692 121.204 119.800 -0.479 0.000 2.274 151 Q HA 0.173 4.528 4.340 0.026 0.000 0.280 151 Q C 1.376 177.435 176.000 0.097 0.000 1.047 151 Q CA 1.579 57.232 55.803 -0.251 0.000 0.907 151 Q CB 0.069 28.639 28.738 -0.281 0.000 1.171 151 Q HN 0.933 nan 8.270 nan 0.000 0.381 152 G N 3.352 112.202 108.800 0.083 0.000 2.157 152 G HA2 -0.257 3.718 3.960 0.026 0.000 0.248 152 G HA3 -0.257 3.718 3.960 0.026 0.000 0.248 152 G C -0.483 174.575 174.900 0.264 0.000 0.979 152 G CA 0.125 45.329 45.100 0.174 0.000 0.650 152 G HN 0.624 nan 8.290 nan 0.000 0.529 153 W N 1.349 122.612 121.300 -0.060 0.000 2.381 153 W HA 0.660 5.336 4.660 0.026 0.000 0.329 153 W C 1.259 177.692 176.519 -0.143 0.000 1.157 153 W CA -0.751 56.461 57.345 -0.222 0.000 1.240 153 W CB 0.980 30.090 29.460 -0.584 0.000 1.199 153 W HN 0.024 nan 8.180 nan 0.000 0.579 154 K N 2.250 121.938 120.400 -1.187 0.000 2.044 154 K HA -0.159 4.176 4.320 0.026 0.000 0.210 154 K C 1.826 177.648 176.600 -1.296 0.000 1.049 154 K CA 2.165 57.870 56.287 -0.970 0.000 0.927 154 K CB -0.688 31.457 32.500 -0.592 0.000 0.713 154 K HN 0.771 nan 8.250 nan 0.000 0.443 155 G N -0.381 106.878 108.800 -2.569 0.000 2.511 155 G HA2 -0.141 3.835 3.960 0.026 0.000 0.217 155 G HA3 -0.141 3.835 3.960 0.026 0.000 0.217 155 G C 1.397 175.612 174.900 -1.142 0.000 1.133 155 G CA 0.556 44.303 45.100 -2.254 0.000 0.792 155 G HN 0.279 nan 8.290 nan 0.000 0.539 156 S N 1.662 116.982 115.700 -0.634 0.000 2.372 156 S HA -0.121 4.364 4.470 0.026 0.000 0.227 156 S C 0.168 174.542 174.600 -0.377 0.000 1.044 156 S CA 1.847 59.888 58.200 -0.265 0.000 1.050 156 S CB -0.705 62.450 63.200 -0.076 0.000 0.901 156 S HN 0.342 nan 8.310 nan 0.000 0.447 157 P HA 0.039 nan 4.420 nan 0.000 0.215 157 P C 1.547 178.690 177.300 -0.262 0.000 1.157 157 P CA 1.374 64.328 63.100 -0.244 0.000 0.859 157 P CB -0.140 31.469 31.700 -0.152 0.000 0.786 158 A N -0.343 122.260 122.820 -0.361 0.000 1.865 158 A HA -0.205 4.130 4.320 0.026 0.000 0.217 158 A C 2.256 179.667 177.584 -0.288 0.000 1.191 158 A CA 1.724 53.570 52.037 -0.318 0.000 0.623 158 A CB -1.748 16.999 19.000 -0.421 0.000 0.826 158 A HN 0.079 nan 8.150 nan 0.000 0.444 159 I N -1.863 118.484 120.570 -0.372 0.000 2.226 159 I HA -0.241 3.944 4.170 0.026 0.000 0.245 159 I C 2.402 178.401 176.117 -0.196 0.000 1.100 159 I CA 1.718 62.871 61.300 -0.245 0.000 1.374 159 I CB -0.373 37.499 38.000 -0.214 0.000 1.057 159 I HN 0.511 nan 8.210 nan 0.000 0.413 160 F N 1.603 121.328 119.950 -0.375 0.000 2.069 160 F HA -0.355 4.187 4.527 0.026 0.000 0.298 160 F C 2.772 178.388 175.800 -0.307 0.000 1.113 160 F CA 2.138 59.897 58.000 -0.401 0.000 1.214 160 F CB -0.239 38.350 39.000 -0.684 0.000 0.978 160 F HN 0.014 nan 8.300 nan 0.000 0.474 161 Q N -0.312 119.213 119.800 -0.458 0.000 2.170 161 Q HA -0.215 4.141 4.340 0.026 0.000 0.203 161 Q C 2.287 178.061 176.000 -0.377 0.000 0.976 161 Q CA 1.746 57.268 55.803 -0.468 0.000 0.858 161 Q CB -0.283 28.307 28.738 -0.246 0.000 0.907 161 Q HN 0.470 nan 8.270 nan 0.000 0.433 162 S N -0.832 114.698 115.700 -0.284 0.000 2.345 162 S HA -0.122 4.363 4.470 0.026 0.000 0.219 162 S C 1.972 176.418 174.600 -0.256 0.000 1.031 162 S CA 1.417 59.494 58.200 -0.206 0.000 0.984 162 S CB -0.336 62.784 63.200 -0.132 0.000 0.874 162 S HN 0.545 nan 8.310 nan 0.000 0.451 163 S N 1.577 117.099 115.700 -0.297 0.000 2.359 163 S HA -0.159 4.326 4.470 0.026 0.000 0.223 163 S C 1.848 176.199 174.600 -0.414 0.000 1.039 163 S CA 1.834 59.847 58.200 -0.311 0.000 1.042 163 S CB -0.540 62.500 63.200 -0.267 0.000 0.915 163 S HN 0.552 nan 8.310 nan 0.000 0.439 164 M N 1.774 121.036 119.600 -0.563 0.000 2.346 164 M HA -0.057 4.439 4.480 0.026 0.000 0.263 164 M C 1.735 177.801 176.300 -0.389 0.000 1.064 164 M CA 1.354 56.322 55.300 -0.554 0.000 1.083 164 M CB -1.161 30.978 32.600 -0.769 0.000 1.399 164 M HN 0.192 nan 8.290 nan 0.000 0.435 165 T N 0.082 114.442 114.554 -0.322 0.000 2.809 165 T HA -0.049 4.317 4.350 0.026 0.000 0.260 165 T C 1.676 176.258 174.700 -0.197 0.000 1.039 165 T CA 1.341 63.311 62.100 -0.216 0.000 1.141 165 T CB -0.001 68.772 68.868 -0.159 0.000 0.869 165 T HN 0.411 nan 8.240 nan 0.000 0.437 166 K N 1.052 121.319 120.400 -0.221 0.000 2.034 166 K HA -0.101 4.235 4.320 0.026 0.000 0.214 166 K C 2.155 178.592 176.600 -0.270 0.000 1.051 166 K CA 1.526 57.687 56.287 -0.210 0.000 0.931 166 K CB -0.515 31.846 32.500 -0.232 0.000 0.715 166 K HN 0.340 nan 8.250 nan 0.000 0.446 167 I N 1.230 121.535 120.570 -0.440 0.000 2.208 167 I HA -0.272 3.913 4.170 0.026 0.000 0.245 167 I C 2.033 178.040 176.117 -0.183 0.000 1.097 167 I CA 1.317 62.272 61.300 -0.576 0.000 1.363 167 I CB -0.384 37.112 38.000 -0.840 0.000 1.051 167 I HN 0.127 nan 8.210 nan 0.000 0.413 168 L N 0.317 121.448 121.223 -0.153 0.000 2.610 168 L HA -0.045 4.311 4.340 0.026 0.000 0.232 168 L C 2.428 179.329 176.870 0.051 0.000 1.149 168 L CA 0.182 55.008 54.840 -0.023 0.000 0.872 168 L CB -0.582 41.418 42.059 -0.098 0.000 0.992 168 L HN 0.298 nan 8.230 nan 0.000 0.447 169 E N 1.605 121.810 120.200 0.008 0.000 2.021 169 E HA -0.212 4.153 4.350 0.026 0.000 0.200 169 E C -0.414 176.232 176.600 0.076 0.000 1.015 169 E CA 1.931 58.347 56.400 0.027 0.000 0.824 169 E CB -0.977 28.722 29.700 -0.002 0.000 0.762 169 E HN 0.285 nan 8.360 nan 0.000 0.454 170 P HA -0.163 nan 4.420 nan 0.000 0.212 170 P C 1.554 178.909 177.300 0.091 0.000 1.178 170 P CA 1.375 64.525 63.100 0.083 0.000 0.915 170 P CB -0.462 31.296 31.700 0.097 0.000 0.788 171 F N 0.541 120.481 119.950 -0.016 0.000 2.063 171 F HA -0.317 4.225 4.527 0.026 0.000 0.298 171 F C 2.384 178.182 175.800 -0.004 0.000 1.105 171 F CA 1.805 59.794 58.000 -0.019 0.000 1.215 171 F CB -0.332 38.692 39.000 0.040 0.000 0.972 171 F HN -0.254 nan 8.300 nan 0.000 0.483 172 R N 0.011 120.721 120.500 0.350 0.000 2.081 172 R HA -0.196 4.160 4.340 0.026 0.000 0.235 172 R C 2.294 178.647 176.300 0.087 0.000 1.131 172 R CA 1.767 58.001 56.100 0.224 0.000 0.960 172 R CB -0.441 29.952 30.300 0.155 0.000 0.856 172 R HN 0.286 nan 8.270 nan 0.000 0.436 173 K N 0.756 121.189 120.400 0.055 0.000 2.097 173 K HA -0.160 4.175 4.320 0.026 0.000 0.206 173 K C 1.983 178.570 176.600 -0.022 0.000 1.049 173 K CA 1.369 57.666 56.287 0.017 0.000 0.933 173 K CB 0.191 32.701 32.500 0.016 0.000 0.717 173 K HN 0.233 nan 8.250 nan 0.000 0.442 174 Q N -0.407 119.354 119.800 -0.066 0.000 2.331 174 Q HA 0.028 4.384 4.340 0.026 0.000 0.203 174 Q C -0.111 175.783 176.000 -0.177 0.000 0.944 174 Q CA 0.486 56.210 55.803 -0.132 0.000 0.892 174 Q CB 0.409 29.032 28.738 -0.192 0.000 0.983 174 Q HN 0.197 nan 8.270 nan 0.000 0.482 175 N N 1.098 119.691 118.700 -0.179 0.000 2.813 175 N HA 0.127 4.882 4.740 0.026 0.000 0.282 175 N C -2.172 173.330 175.510 -0.013 0.000 1.748 175 N CA -0.970 51.989 53.050 -0.152 0.000 0.860 175 N CB 1.202 39.496 38.487 -0.321 0.000 1.204 175 N HN 0.073 nan 8.380 nan 0.000 0.490 176 P HA -0.137 nan 4.420 nan 0.000 0.216 176 P C 0.350 177.673 177.300 0.039 0.000 1.150 176 P CA 1.230 64.343 63.100 0.023 0.000 0.843 176 P CB 0.417 32.122 31.700 0.009 0.000 0.787 177 D N -0.200 120.219 120.400 0.032 0.000 2.348 177 D HA 0.133 4.788 4.640 0.026 0.000 0.248 177 D C 0.663 177.010 176.300 0.079 0.000 1.142 177 D CA 0.527 54.554 54.000 0.045 0.000 0.904 177 D CB -0.333 40.487 40.800 0.034 0.000 0.901 177 D HN 0.326 nan 8.370 nan 0.000 0.523 178 I N 0.153 120.786 120.570 0.105 0.000 2.533 178 I HA 0.212 4.397 4.170 0.026 0.000 0.290 178 I C -0.626 175.575 176.117 0.140 0.000 1.056 178 I CA -0.937 60.455 61.300 0.154 0.000 1.057 178 I CB 2.877 41.022 38.000 0.243 0.000 1.240 178 I HN -0.419 nan 8.210 nan 0.000 0.423 179 V N 6.987 126.973 119.914 0.120 0.000 2.384 179 V HA 0.493 4.628 4.120 0.026 0.000 0.287 179 V C -0.113 176.040 176.094 0.097 0.000 1.020 179 V CA -0.413 61.944 62.300 0.096 0.000 0.850 179 V CB 1.820 33.683 31.823 0.066 0.000 0.987 179 V HN 0.461 nan 8.190 nan 0.000 0.436 180 I N 4.689 125.311 120.570 0.086 0.000 2.441 180 I HA 0.434 4.619 4.170 0.026 0.000 0.295 180 I C -1.085 175.112 176.117 0.134 0.000 0.994 180 I CA -0.726 60.614 61.300 0.067 0.000 1.144 180 I CB 1.868 39.856 38.000 -0.020 0.000 1.314 180 I HN 0.666 nan 8.210 nan 0.000 0.445 181 Y N 5.859 126.176 120.300 0.028 0.000 2.388 181 Y HA 0.382 4.948 4.550 0.027 0.000 0.328 181 Y C -0.347 175.624 175.900 0.117 0.000 0.963 181 Y CA -0.748 57.377 58.100 0.041 0.000 1.240 181 Y CB 0.912 39.351 38.460 -0.035 0.000 1.118 181 Y HN 0.508 nan 8.280 nan 0.000 0.484 182 Q N 5.682 125.209 119.800 -0.455 0.000 2.296 182 Q HA 0.145 4.500 4.340 0.026 0.000 0.263 182 Q C -1.804 173.817 176.000 -0.632 0.000 1.026 182 Q CA 0.032 55.579 55.803 -0.427 0.000 0.912 182 Q CB 0.899 29.484 28.738 -0.255 0.000 1.198 182 Q HN 0.707 nan 8.270 nan 0.000 0.407 183 Y N 4.666 124.693 120.300 -0.456 0.000 2.298 183 Y HA 0.184 4.750 4.550 0.026 0.000 0.322 183 Y C -0.025 175.902 175.900 0.046 0.000 1.138 183 Y CA -0.485 57.488 58.100 -0.212 0.000 1.127 183 Y CB 0.491 38.875 38.460 -0.126 0.000 1.178 183 Y HN 0.828 nan 8.280 nan 0.000 0.428 184 M N 1.393 120.790 119.600 -0.340 0.000 7.319 184 M HA -0.414 4.081 4.480 0.026 0.000 0.321 184 M C 0.104 176.513 176.300 0.183 0.000 0.480 184 M CA 2.298 57.550 55.300 -0.079 0.000 1.311 184 M CB -0.914 31.563 32.600 -0.204 0.000 0.421 184 M HN 0.650 nan 8.290 nan 0.000 0.811 185 D N 0.933 121.408 120.400 0.125 0.000 2.328 185 D HA 0.208 4.863 4.640 0.026 0.000 0.226 185 D C -0.539 175.804 176.300 0.071 0.000 1.066 185 D CA 0.652 54.713 54.000 0.103 0.000 0.861 185 D CB -0.193 40.609 40.800 0.003 0.000 0.912 185 D HN 0.315 nan 8.370 nan 0.000 0.521 186 D N -0.399 120.044 120.400 0.071 0.000 2.350 186 D HA 0.500 5.155 4.640 0.026 0.000 0.238 186 D C -0.348 175.847 176.300 -0.175 0.000 0.989 186 D CA -0.485 53.444 54.000 -0.118 0.000 0.921 186 D CB 2.058 42.699 40.800 -0.265 0.000 1.297 186 D HN -0.171 nan 8.370 nan 0.000 0.490 187 L N 2.132 123.154 121.223 -0.336 0.000 2.457 187 L HA 0.340 4.695 4.340 0.026 0.000 0.266 187 L C -1.291 175.381 176.870 -0.331 0.000 0.979 187 L CA -0.872 53.827 54.840 -0.235 0.000 0.857 187 L CB 0.860 42.815 42.059 -0.174 0.000 1.213 187 L HN 0.305 nan 8.230 nan 0.000 0.418 188 Y N 2.749 122.979 120.300 -0.116 0.000 2.477 188 Y HA 0.365 4.930 4.550 0.026 0.000 0.349 188 Y C 0.282 176.153 175.900 -0.049 0.000 0.977 188 Y CA -0.731 57.287 58.100 -0.136 0.000 1.214 188 Y CB 1.014 39.342 38.460 -0.220 0.000 1.124 188 Y HN 0.170 nan 8.280 nan 0.000 0.521 189 V N 3.526 123.481 119.914 0.067 0.000 2.370 189 V HA 0.817 4.953 4.120 0.026 0.000 0.283 189 V C 0.468 176.690 176.094 0.213 0.000 1.023 189 V CA -0.666 61.689 62.300 0.093 0.000 0.857 189 V CB 1.176 33.001 31.823 0.003 0.000 0.985 189 V HN 0.898 nan 8.190 nan 0.000 0.443 190 G N 2.803 111.725 108.800 0.205 0.000 2.533 190 G HA2 0.834 4.810 3.960 0.026 0.000 0.304 190 G HA3 0.834 4.810 3.960 0.026 0.000 0.304 190 G C -0.668 174.362 174.900 0.217 0.000 1.263 190 G CA -0.026 45.207 45.100 0.220 0.000 0.964 190 G HN 1.014 nan 8.290 nan 0.000 0.479 191 S N -1.123 114.669 115.700 0.154 0.000 2.727 191 S HA 0.605 5.091 4.470 0.026 0.000 0.278 191 S C -1.207 173.417 174.600 0.040 0.000 1.186 191 S CA -0.625 57.663 58.200 0.146 0.000 0.836 191 S CB 2.166 65.556 63.200 0.317 0.000 1.186 191 S HN 0.292 nan 8.310 nan 0.000 0.499 192 D N 0.245 120.676 120.400 0.052 0.000 2.540 192 D HA 0.398 5.053 4.640 0.026 0.000 0.229 192 D C 0.075 176.395 176.300 0.033 0.000 1.250 192 D CA -0.072 53.939 54.000 0.019 0.000 0.817 192 D CB 0.222 41.029 40.800 0.013 0.000 1.060 192 D HN 0.449 nan 8.370 nan 0.000 0.508 193 L N 0.916 122.181 121.223 0.070 0.000 2.476 193 L HA 0.158 4.514 4.340 0.026 0.000 0.255 193 L C 0.994 177.903 176.870 0.065 0.000 1.218 193 L CA -0.574 54.311 54.840 0.075 0.000 0.819 193 L CB 0.512 42.639 42.059 0.113 0.000 1.119 193 L HN -0.212 nan 8.230 nan 0.000 0.485 194 E N 1.350 121.584 120.200 0.057 0.000 2.392 194 E HA -0.021 4.344 4.350 0.026 0.000 0.264 194 E C 1.104 177.751 176.600 0.079 0.000 1.024 194 E CA 0.032 56.461 56.400 0.048 0.000 0.903 194 E CB 0.687 30.410 29.700 0.039 0.000 0.963 194 E HN 0.596 nan 8.360 nan 0.000 0.432 195 I N -0.193 120.414 120.570 0.062 0.000 2.300 195 I HA -0.252 3.933 4.170 0.026 0.000 0.252 195 I C 1.548 177.742 176.117 0.128 0.000 1.119 195 I CA 2.163 63.518 61.300 0.092 0.000 1.384 195 I CB -0.382 37.649 38.000 0.052 0.000 1.062 195 I HN 0.428 nan 8.210 nan 0.000 0.426 196 G N 0.227 109.080 108.800 0.088 0.000 2.404 196 G HA2 -0.182 3.793 3.960 0.026 0.000 0.215 196 G HA3 -0.182 3.793 3.960 0.026 0.000 0.215 196 G C 1.560 176.510 174.900 0.084 0.000 1.174 196 G CA 0.442 45.588 45.100 0.076 0.000 0.780 196 G HN 0.413 nan 8.290 nan 0.000 0.537 197 Q N 0.012 119.863 119.800 0.084 0.000 2.030 197 Q HA -0.185 4.171 4.340 0.026 0.000 0.204 197 Q C 2.201 178.263 176.000 0.104 0.000 0.986 197 Q CA 1.980 57.829 55.803 0.077 0.000 0.843 197 Q CB -0.662 28.119 28.738 0.070 0.000 0.904 197 Q HN 0.712 nan 8.270 nan 0.000 0.420 198 H N 0.878 119.978 119.070 0.051 0.000 2.252 198 H HA -0.157 4.415 4.556 0.026 0.000 0.292 198 H C 2.175 177.549 175.328 0.076 0.000 1.082 198 H CA 2.601 58.690 56.048 0.068 0.000 1.229 198 H CB -0.102 29.698 29.762 0.062 0.000 1.353 198 H HN 0.067 nan 8.280 nan 0.000 0.488 199 R N -0.222 120.350 120.500 0.119 0.000 2.096 199 R HA -0.164 4.191 4.340 0.026 0.000 0.240 199 R C 2.029 178.336 176.300 0.013 0.000 1.139 199 R CA 2.252 58.384 56.100 0.053 0.000 0.952 199 R CB -0.794 29.564 30.300 0.098 0.000 0.854 199 R HN 0.494 nan 8.270 nan 0.000 0.436 200 T N 1.843 116.417 114.554 0.032 0.000 2.652 200 T HA -0.125 4.240 4.350 0.026 0.000 0.267 200 T C 1.833 176.552 174.700 0.033 0.000 1.039 200 T CA 1.447 63.566 62.100 0.031 0.000 1.153 200 T CB -0.131 68.755 68.868 0.031 0.000 0.863 200 T HN 0.239 nan 8.240 nan 0.000 0.428 201 K N 0.747 121.163 120.400 0.026 0.000 2.044 201 K HA -0.072 4.264 4.320 0.026 0.000 0.210 201 K C 2.270 178.955 176.600 0.141 0.000 1.049 201 K CA 0.981 57.319 56.287 0.084 0.000 0.927 201 K CB -0.704 31.842 32.500 0.077 0.000 0.713 201 K HN 0.296 nan 8.250 nan 0.000 0.443 202 I N 1.412 121.970 120.570 -0.019 0.000 2.091 202 I HA -0.279 3.907 4.170 0.026 0.000 0.239 202 I C 2.436 178.568 176.117 0.025 0.000 1.061 202 I CA 1.510 62.779 61.300 -0.052 0.000 1.317 202 I CB -1.326 36.597 38.000 -0.128 0.000 1.031 202 I HN 0.223 nan 8.210 nan 0.000 0.401 203 E N 1.085 121.306 120.200 0.036 0.000 2.171 203 E HA -0.262 4.104 4.350 0.026 0.000 0.197 203 E C 2.134 178.791 176.600 0.095 0.000 0.997 203 E CA 1.661 58.094 56.400 0.055 0.000 0.810 203 E CB -0.256 29.473 29.700 0.047 0.000 0.738 203 E HN 0.504 nan 8.360 nan 0.000 0.467 204 E N -0.270 120.012 120.200 0.136 0.000 2.072 204 E HA -0.158 4.207 4.350 0.026 0.000 0.191 204 E C 2.170 178.945 176.600 0.292 0.000 0.985 204 E CA 0.921 57.435 56.400 0.191 0.000 0.801 204 E CB -0.198 29.612 29.700 0.184 0.000 0.750 204 E HN 0.365 nan 8.360 nan 0.000 0.452 205 L N 0.789 122.210 121.223 0.329 0.000 1.989 205 L HA -0.222 4.133 4.340 0.026 0.000 0.211 205 L C 2.892 179.819 176.870 0.096 0.000 1.071 205 L CA 1.458 56.373 54.840 0.126 0.000 0.749 205 L CB -0.375 41.463 42.059 -0.368 0.000 0.890 205 L HN 0.189 nan 8.230 nan 0.000 0.431 206 R N -0.489 120.042 120.500 0.052 0.000 2.119 206 R HA -0.248 4.108 4.340 0.026 0.000 0.246 206 R C 2.246 178.600 176.300 0.090 0.000 1.146 206 R CA 2.048 58.176 56.100 0.047 0.000 0.962 206 R CB -0.161 30.161 30.300 0.037 0.000 0.863 206 R HN 0.553 nan 8.270 nan 0.000 0.442 207 Q N -1.336 118.537 119.800 0.121 0.000 2.079 207 Q HA -0.213 4.143 4.340 0.026 0.000 0.200 207 Q C 2.095 178.209 176.000 0.190 0.000 0.974 207 Q CA 1.456 57.335 55.803 0.128 0.000 0.840 207 Q CB -0.255 28.552 28.738 0.114 0.000 0.898 207 Q HN 0.628 nan 8.270 nan 0.000 0.430 208 H N 0.652 119.810 119.070 0.145 0.000 2.387 208 H HA -0.096 4.476 4.556 0.026 0.000 0.299 208 H C 2.025 177.536 175.328 0.305 0.000 1.090 208 H CA 0.875 57.053 56.048 0.217 0.000 1.332 208 H CB 0.168 30.102 29.762 0.287 0.000 1.386 208 H HN 0.171 nan 8.280 nan 0.000 0.516 209 L N 0.183 121.488 121.223 0.136 0.000 2.005 209 L HA -0.191 4.165 4.340 0.026 0.000 0.207 209 L C 2.773 179.723 176.870 0.134 0.000 1.072 209 L CA 0.642 55.533 54.840 0.085 0.000 0.744 209 L CB -0.512 41.563 42.059 0.027 0.000 0.895 209 L HN 0.257 nan 8.230 nan 0.000 0.433 210 L N 0.108 121.389 121.223 0.096 0.000 2.137 210 L HA -0.247 4.108 4.340 0.026 0.000 0.213 210 L C 2.735 179.630 176.870 0.041 0.000 1.085 210 L CA 1.667 56.548 54.840 0.069 0.000 0.760 210 L CB -0.589 41.505 42.059 0.057 0.000 0.893 210 L HN 0.120 nan 8.230 nan 0.000 0.434 211 R N -1.412 119.097 120.500 0.016 0.000 2.091 211 R HA -0.195 4.161 4.340 0.026 0.000 0.238 211 R C 1.156 177.296 176.300 -0.268 0.000 1.136 211 R CA 2.043 58.049 56.100 -0.157 0.000 0.959 211 R CB -0.428 29.728 30.300 -0.240 0.000 0.856 211 R HN 0.494 nan 8.270 nan 0.000 0.437 212 W N -0.060 121.196 121.300 -0.072 0.000 3.364 212 W HA 0.279 4.954 4.660 0.026 0.000 0.397 212 W C 1.118 177.621 176.519 -0.026 0.000 1.107 212 W CA 0.450 57.759 57.345 -0.060 0.000 1.892 212 W CB -0.040 29.354 29.460 -0.110 0.000 1.027 212 W HN 0.308 nan 8.180 nan 0.000 0.761 213 G N 0.340 109.214 108.800 0.123 0.000 2.184 213 G HA2 -0.343 3.632 3.960 0.026 0.000 0.264 213 G HA3 -0.343 3.632 3.960 0.026 0.000 0.264 213 G C 0.313 175.278 174.900 0.109 0.000 0.975 213 G CA -0.057 45.103 45.100 0.100 0.000 0.642 213 G HN 0.269 nan 8.290 nan 0.000 0.536 214 L N 2.547 123.847 121.223 0.128 0.000 2.382 214 L HA 0.226 4.581 4.340 0.026 0.000 0.259 214 L C 1.592 178.512 176.870 0.083 0.000 1.291 214 L CA 0.270 55.175 54.840 0.108 0.000 1.176 214 L CB -0.402 41.717 42.059 0.099 0.000 1.373 214 L HN 0.333 nan 8.230 nan 0.000 0.426 215 T N 1.203 115.802 114.554 0.076 0.000 2.860 215 T HA -0.123 4.243 4.350 0.026 0.000 0.295 215 T C 0.635 175.369 174.700 0.057 0.000 1.041 215 T CA 0.188 62.324 62.100 0.061 0.000 1.132 215 T CB 0.190 69.093 68.868 0.058 0.000 1.072 215 T HN 0.499 nan 8.240 nan 0.000 0.504 216 T N 8.265 122.850 114.554 0.051 0.000 2.884 216 T HA 0.350 4.715 4.350 0.026 0.000 0.298 216 T C -1.180 173.553 174.700 0.054 0.000 0.998 216 T CA -0.992 61.138 62.100 0.049 0.000 1.124 216 T CB 1.004 69.899 68.868 0.045 0.000 0.931 216 T HN 0.679 nan 8.240 nan 0.000 0.531 217 P HA 0.199 nan 4.420 nan 0.000 0.321 217 P C -0.394 176.962 177.300 0.092 0.000 1.338 217 P CA -0.002 63.146 63.100 0.079 0.000 0.764 217 P CB 0.530 32.275 31.700 0.075 0.000 1.641 218 D N -3.344 117.131 120.400 0.124 0.000 2.531 218 D HA 0.241 4.897 4.640 0.026 0.000 0.244 218 D C 0.773 177.103 176.300 0.050 0.000 1.090 218 D CA -0.689 53.361 54.000 0.084 0.000 0.989 218 D CB 1.492 42.352 40.800 0.100 0.000 1.433 218 D HN 0.036 nan 8.370 nan 0.000 0.492 219 K N 0.042 120.447 120.400 0.009 0.000 2.243 219 K HA 0.044 4.380 4.320 0.026 0.000 0.201 219 K C 1.484 178.071 176.600 -0.021 0.000 1.051 219 K CA 0.582 56.873 56.287 0.007 0.000 0.970 219 K CB 0.269 32.771 32.500 0.004 0.000 0.755 219 K HN 0.266 nan 8.250 nan 0.000 0.465 220 K N 0.250 120.589 120.400 -0.101 0.000 2.002 220 K HA -0.106 4.229 4.320 0.026 0.000 0.209 220 K C 1.680 178.187 176.600 -0.157 0.000 1.048 220 K CA 1.136 57.310 56.287 -0.188 0.000 0.930 220 K CB -0.153 32.123 32.500 -0.374 0.000 0.714 220 K HN 0.236 nan 8.250 nan 0.000 0.438 221 H N 1.148 120.239 119.070 0.033 0.000 2.563 221 H HA 0.060 4.631 4.556 0.026 0.000 0.272 221 H C 0.315 175.672 175.328 0.048 0.000 1.005 221 H CA 0.418 56.489 56.048 0.038 0.000 1.171 221 H CB 0.003 29.784 29.762 0.031 0.000 1.351 221 H HN 0.173 nan 8.280 nan 0.000 0.602 222 Q N 1.897 121.774 119.800 0.129 0.000 2.274 222 Q HA 0.052 4.408 4.340 0.026 0.000 0.280 222 Q C 0.373 176.454 176.000 0.136 0.000 1.047 222 Q CA 0.495 56.367 55.803 0.115 0.000 0.907 222 Q CB 0.949 29.740 28.738 0.088 0.000 1.171 222 Q HN 0.374 nan 8.270 nan 0.000 0.381 223 K N 2.222 122.724 120.400 0.171 0.000 2.154 223 K HA 0.304 4.639 4.320 0.026 0.000 0.264 223 K C 0.027 176.805 176.600 0.297 0.000 1.008 223 K CA -0.456 55.984 56.287 0.256 0.000 0.937 223 K CB 0.901 33.610 32.500 0.349 0.000 1.002 223 K HN 0.416 nan 8.250 nan 0.000 0.469 224 E N 1.258 121.579 120.200 0.202 0.000 2.393 224 E HA 0.350 4.716 4.350 0.026 0.000 0.273 224 E C -2.585 173.781 176.600 -0.390 0.000 0.918 224 E CA -2.224 54.176 56.400 -0.001 0.000 0.773 224 E CB 1.571 31.275 29.700 0.008 0.000 1.275 224 E HN 0.305 nan 8.360 nan 0.000 0.451 225 P HA 0.131 nan 4.420 nan 0.000 0.270 225 P C -2.301 174.825 177.300 -0.290 0.000 1.223 225 P CA -0.704 61.938 63.100 -0.764 0.000 0.785 225 P CB -0.161 31.278 31.700 -0.434 0.000 0.923 226 P HA 0.253 nan 4.420 nan 0.000 0.282 226 P C -1.052 176.079 177.300 -0.281 0.000 1.249 226 P CA -0.194 62.712 63.100 -0.322 0.000 0.806 226 P CB 0.496 31.934 31.700 -0.438 0.000 0.984 227 F N 1.292 121.268 119.950 0.044 0.000 2.410 227 F HA 0.263 4.805 4.527 0.026 0.000 0.348 227 F C 0.974 176.841 175.800 0.111 0.000 1.106 227 F CA -0.468 57.592 58.000 0.100 0.000 1.163 227 F CB 0.293 39.353 39.000 0.099 0.000 1.129 227 F HN 0.033 nan 8.300 nan 0.000 0.516 228 L N 4.026 125.452 121.223 0.339 0.000 2.313 228 L HA 0.218 4.574 4.340 0.026 0.000 0.282 228 L C -0.582 176.499 176.870 0.351 0.000 1.092 228 L CA -0.155 54.842 54.840 0.260 0.000 0.831 228 L CB 0.725 42.889 42.059 0.176 0.000 1.159 228 L HN 0.655 nan 8.230 nan 0.000 0.442 229 W N 7.460 128.792 121.300 0.053 0.000 3.132 229 W HA 0.253 4.928 4.660 0.025 0.000 0.337 229 W C -0.123 176.413 176.519 0.028 0.000 1.082 229 W CA -1.121 56.212 57.345 -0.020 0.000 1.242 229 W CB 1.611 31.016 29.460 -0.092 0.000 1.354 229 W HN 0.652 nan 8.180 nan 0.000 0.461 230 M N 4.285 123.589 119.600 -0.493 0.000 2.217 230 M HA -0.194 4.301 4.480 0.026 0.000 0.187 230 M C 0.705 176.864 176.300 -0.235 0.000 0.642 230 M CA 1.979 57.028 55.300 -0.418 0.000 0.450 230 M CB -2.239 30.072 32.600 -0.480 0.000 1.039 230 M HN 1.116 nan 8.290 nan 0.000 0.916 231 G N -1.103 107.527 108.800 -0.284 0.000 2.179 231 G HA2 -0.289 3.687 3.960 0.026 0.000 0.260 231 G HA3 -0.289 3.687 3.960 0.026 0.000 0.260 231 G C -0.256 174.497 174.900 -0.245 0.000 0.977 231 G CA 0.579 45.458 45.100 -0.368 0.000 0.641 231 G HN 0.870 nan 8.290 nan 0.000 0.533 232 Y N -0.023 120.331 120.300 0.090 0.000 2.567 232 Y HA 0.674 5.239 4.550 0.025 0.000 0.333 232 Y C 0.563 176.548 175.900 0.142 0.000 1.106 232 Y CA -0.995 57.188 58.100 0.138 0.000 1.157 232 Y CB 1.371 39.859 38.460 0.047 0.000 1.277 232 Y HN 0.065 nan 8.280 nan 0.000 0.490 233 E N 2.000 122.407 120.200 0.345 0.000 2.145 233 E HA 0.325 4.690 4.350 0.026 0.000 0.262 233 E C -1.503 175.123 176.600 0.044 0.000 0.883 233 E CA -0.636 55.835 56.400 0.119 0.000 0.748 233 E CB 1.139 30.870 29.700 0.053 0.000 1.140 233 E HN 0.255 nan 8.360 nan 0.000 0.417 234 L N 4.926 126.180 121.223 0.052 0.000 2.255 234 L HA 0.301 4.656 4.340 0.026 0.000 0.289 234 L C 0.259 177.125 176.870 -0.006 0.000 1.046 234 L CA -0.121 54.822 54.840 0.171 0.000 0.816 234 L CB -0.201 42.035 42.059 0.294 0.000 1.197 234 L HN 0.515 nan 8.230 nan 0.000 0.427 235 H N 4.905 124.155 119.070 0.299 0.000 2.559 235 H HA 0.338 4.909 4.556 0.026 0.000 0.343 235 H C -1.471 174.015 175.328 0.264 0.000 1.209 235 H CA -1.634 54.522 56.048 0.179 0.000 1.287 235 H CB 1.298 31.136 29.762 0.126 0.000 1.650 235 H HN 0.295 nan 8.280 nan 0.000 0.567 236 P HA -0.144 nan 4.420 nan 0.000 0.216 236 P C 0.709 178.180 177.300 0.284 0.000 1.153 236 P CA 1.550 64.769 63.100 0.198 0.000 0.848 236 P CB 0.365 32.126 31.700 0.102 0.000 0.787 237 D N -0.397 120.165 120.400 0.270 0.000 2.354 237 D HA 0.015 4.670 4.640 0.026 0.000 0.209 237 D C 0.870 177.320 176.300 0.250 0.000 1.015 237 D CA 0.463 54.606 54.000 0.238 0.000 0.867 237 D CB 0.205 41.063 40.800 0.097 0.000 0.933 237 D HN 0.398 nan 8.370 nan 0.000 0.520 238 K N -1.200 119.352 120.400 0.254 0.000 2.617 238 K HA 0.387 4.722 4.320 0.026 0.000 0.293 238 K C -1.314 175.310 176.600 0.040 0.000 1.034 238 K CA -1.146 55.094 56.287 -0.079 0.000 0.884 238 K CB 0.961 33.384 32.500 -0.129 0.000 1.541 238 K HN 0.106 nan 8.250 nan 0.000 0.409 239 W N 0.585 121.806 121.300 -0.130 0.000 2.781 239 W HA 0.659 5.333 4.660 0.024 0.000 0.345 239 W C -1.099 175.519 176.519 0.165 0.000 1.085 239 W CA -0.852 56.502 57.345 0.015 0.000 1.198 239 W CB 1.353 30.715 29.460 -0.163 0.000 1.423 239 W HN 0.891 nan 8.180 nan 0.000 0.532 240 T N -1.677 113.278 114.554 0.668 0.000 2.804 240 T HA 0.623 4.989 4.350 0.026 0.000 0.290 240 T C -1.087 174.003 174.700 0.650 0.000 1.099 240 T CA -0.699 61.734 62.100 0.556 0.000 1.011 240 T CB 1.580 70.693 68.868 0.408 0.000 1.291 240 T HN 0.380 nan 8.240 nan 0.000 0.523 241 V N 1.755 121.943 119.914 0.457 0.000 2.472 241 V HA 0.348 4.483 4.120 0.026 0.000 0.290 241 V C 0.394 176.649 176.094 0.269 0.000 1.037 241 V CA -0.914 61.593 62.300 0.345 0.000 0.908 241 V CB 1.293 33.290 31.823 0.291 0.000 0.985 241 V HN 0.872 nan 8.190 nan 0.000 0.454 242 Q N 5.710 125.629 119.800 0.199 0.000 2.274 242 Q HA 0.141 4.497 4.340 0.026 0.000 0.280 242 Q C -2.094 174.004 176.000 0.164 0.000 1.047 242 Q CA -1.244 54.648 55.803 0.149 0.000 0.907 242 Q CB 0.221 29.001 28.738 0.070 0.000 1.171 242 Q HN 0.508 nan 8.270 nan 0.000 0.381 243 P HA -0.084 nan 4.420 nan 0.000 0.263 243 P C -0.726 176.636 177.300 0.104 0.000 1.175 243 P CA 0.714 63.893 63.100 0.133 0.000 0.761 243 P CB 0.526 32.287 31.700 0.101 0.000 0.794 244 I N 3.895 124.524 120.570 0.098 0.000 2.439 244 I HA 0.270 4.455 4.170 0.026 0.000 0.283 244 I C -0.585 175.550 176.117 0.029 0.000 1.023 244 I CA -1.170 60.170 61.300 0.068 0.000 1.100 244 I CB 1.637 39.703 38.000 0.111 0.000 1.238 244 I HN 0.095 nan 8.210 nan 0.000 0.445 245 V N 5.817 125.748 119.914 0.029 0.000 2.435 245 V HA 0.552 4.687 4.120 0.026 0.000 0.290 245 V C -0.402 175.715 176.094 0.039 0.000 1.030 245 V CA -0.698 61.617 62.300 0.026 0.000 0.881 245 V CB 1.429 33.267 31.823 0.026 0.000 0.983 245 V HN 0.615 nan 8.190 nan 0.000 0.445 246 L N 7.183 128.436 121.223 0.050 0.000 2.261 246 L HA 0.469 4.824 4.340 0.026 0.000 0.289 246 L C -1.769 175.175 176.870 0.124 0.000 1.059 246 L CA -1.542 53.359 54.840 0.102 0.000 0.816 246 L CB 1.224 43.339 42.059 0.093 0.000 1.191 246 L HN 0.543 nan 8.230 nan 0.000 0.431 247 P HA 0.029 nan 4.420 nan 0.000 0.269 247 P C -0.708 176.660 177.300 0.112 0.000 1.209 247 P CA -0.328 62.802 63.100 0.050 0.000 0.776 247 P CB 1.153 32.821 31.700 -0.053 0.000 0.876 248 E N 2.276 122.513 120.200 0.061 0.000 2.174 248 E HA 0.299 4.665 4.350 0.026 0.000 0.282 248 E C -0.679 175.914 176.600 -0.012 0.000 0.992 248 E CA -0.285 56.185 56.400 0.116 0.000 0.803 248 E CB 0.553 30.302 29.700 0.082 0.000 1.090 248 E HN 0.248 nan 8.360 nan 0.000 0.396 249 K N 2.980 123.381 120.400 0.002 0.000 2.466 249 K HA 0.403 4.738 4.320 0.026 0.000 0.260 249 K C -0.614 175.983 176.600 -0.006 0.000 1.011 249 K CA -0.749 55.389 56.287 -0.248 0.000 0.871 249 K CB 1.449 33.374 32.500 -0.959 0.000 1.404 249 K HN 0.253 nan 8.250 nan 0.000 0.450 250 D N -0.425 119.934 120.400 -0.068 0.000 2.423 250 D HA 0.005 4.660 4.640 0.026 0.000 0.208 250 D C -0.321 176.014 176.300 0.057 0.000 1.068 250 D CA 0.316 54.343 54.000 0.045 0.000 0.860 250 D CB 0.894 41.701 40.800 0.012 0.000 0.992 250 D HN 0.224 nan 8.370 nan 0.000 0.504 251 S N -0.059 115.590 115.700 -0.085 0.000 2.647 251 S HA 0.468 4.954 4.470 0.026 0.000 0.300 251 S C -1.941 172.545 174.600 -0.190 0.000 1.129 251 S CA -0.755 57.421 58.200 -0.040 0.000 1.029 251 S CB 0.273 63.440 63.200 -0.054 0.000 1.007 251 S HN 0.097 nan 8.310 nan 0.000 0.484 252 W N 3.504 124.801 121.300 -0.005 0.000 2.411 252 W HA 0.437 5.113 4.660 0.028 0.000 0.317 252 W C 0.785 177.302 176.519 -0.004 0.000 1.030 252 W CA -0.563 56.779 57.345 -0.005 0.000 1.239 252 W CB 1.446 30.903 29.460 -0.005 0.000 1.304 252 W HN 0.701 nan 8.180 nan 0.000 0.437 253 T N -1.647 113.001 114.554 0.157 0.000 2.824 253 T HA 0.270 4.636 4.350 0.026 0.000 0.277 253 T C 0.974 175.751 174.700 0.128 0.000 0.975 253 T CA -0.702 61.461 62.100 0.105 0.000 0.966 253 T CB 1.145 70.038 68.868 0.042 0.000 1.054 253 T HN 0.179 nan 8.240 nan 0.000 0.533 254 V N 1.792 121.756 119.914 0.083 0.000 2.287 254 V HA -0.222 3.913 4.120 0.026 0.000 0.248 254 V C 2.707 178.845 176.094 0.074 0.000 1.053 254 V CA 2.390 64.733 62.300 0.071 0.000 1.027 254 V CB -1.396 30.455 31.823 0.046 0.000 0.646 254 V HN 0.891 nan 8.190 nan 0.000 0.447 255 N N 0.096 118.832 118.700 0.060 0.000 2.069 255 N HA -0.216 4.539 4.740 0.026 0.000 0.191 255 N C 1.493 177.051 175.510 0.080 0.000 1.031 255 N CA 1.667 54.748 53.050 0.052 0.000 0.852 255 N CB -0.226 38.279 38.487 0.030 0.000 1.018 255 N HN 0.515 nan 8.380 nan 0.000 0.423 256 D N 0.605 121.070 120.400 0.108 0.000 2.144 256 D HA -0.093 4.563 4.640 0.026 0.000 0.199 256 D C 1.714 178.189 176.300 0.292 0.000 0.984 256 D CA 0.814 54.922 54.000 0.180 0.000 0.834 256 D CB -0.133 40.763 40.800 0.160 0.000 0.955 256 D HN 0.368 nan 8.370 nan 0.000 0.465 257 I N 0.256 120.969 120.570 0.238 0.000 2.617 257 I HA -0.159 4.026 4.170 0.026 0.000 0.256 257 I C 2.103 178.269 176.117 0.082 0.000 1.167 257 I CA 0.732 62.119 61.300 0.145 0.000 1.469 257 I CB -0.121 37.929 38.000 0.083 0.000 1.098 257 I HN -0.001 nan 8.210 nan 0.000 0.436 258 Q N 0.512 120.360 119.800 0.080 0.000 2.163 258 Q HA -0.082 4.274 4.340 0.026 0.000 0.198 258 Q C 2.117 178.151 176.000 0.058 0.000 0.954 258 Q CA 0.702 56.537 55.803 0.055 0.000 0.851 258 Q CB 0.162 28.927 28.738 0.044 0.000 0.928 258 Q HN 0.339 nan 8.270 nan 0.000 0.459 259 K N 0.986 121.429 120.400 0.072 0.000 2.002 259 K HA -0.140 4.196 4.320 0.026 0.000 0.209 259 K C 2.137 178.783 176.600 0.077 0.000 1.048 259 K CA 0.715 57.040 56.287 0.064 0.000 0.930 259 K CB -0.667 31.871 32.500 0.065 0.000 0.714 259 K HN 0.115 nan 8.250 nan 0.000 0.438 260 L N 1.402 122.693 121.223 0.112 0.000 1.990 260 L HA -0.208 4.147 4.340 0.026 0.000 0.213 260 L C 2.300 179.201 176.870 0.052 0.000 1.072 260 L CA 1.450 56.351 54.840 0.102 0.000 0.755 260 L CB -0.460 41.667 42.059 0.113 0.000 0.889 260 L HN -0.107 nan 8.230 nan 0.000 0.432 261 V N -0.250 119.687 119.914 0.039 0.000 2.343 261 V HA -0.223 3.913 4.120 0.026 0.000 0.247 261 V C 2.537 178.660 176.094 0.048 0.000 1.051 261 V CA 1.731 64.047 62.300 0.026 0.000 1.036 261 V CB -1.540 30.294 31.823 0.019 0.000 0.654 261 V HN 0.664 nan 8.190 nan 0.000 0.451 262 G N 0.200 109.034 108.800 0.056 0.000 2.511 262 G HA2 -0.262 3.713 3.960 0.026 0.000 0.216 262 G HA3 -0.262 3.713 3.960 0.026 0.000 0.216 262 G C 1.607 176.568 174.900 0.102 0.000 1.218 262 G CA 1.003 46.144 45.100 0.067 0.000 0.788 262 G HN 0.486 nan 8.290 nan 0.000 0.560 263 K N -0.197 120.259 120.400 0.092 0.000 2.097 263 K HA 0.030 4.365 4.320 0.026 0.000 0.206 263 K C 2.446 179.148 176.600 0.169 0.000 1.049 263 K CA 0.594 56.962 56.287 0.135 0.000 0.933 263 K CB -0.267 32.285 32.500 0.087 0.000 0.717 263 K HN 0.126 nan 8.250 nan 0.000 0.442 264 L N 2.155 123.432 121.223 0.091 0.000 2.017 264 L HA -0.210 4.146 4.340 0.026 0.000 0.208 264 L C 2.284 179.186 176.870 0.054 0.000 1.073 264 L CA 1.584 56.452 54.840 0.046 0.000 0.745 264 L CB -1.450 40.612 42.059 0.005 0.000 0.894 264 L HN 0.396 nan 8.230 nan 0.000 0.432 265 N N -0.540 118.205 118.700 0.075 0.000 2.069 265 N HA -0.286 4.469 4.740 0.026 0.000 0.191 265 N C 1.967 177.525 175.510 0.080 0.000 1.031 265 N CA 1.801 54.891 53.050 0.068 0.000 0.852 265 N CB -0.320 38.217 38.487 0.082 0.000 1.018 265 N HN 0.439 nan 8.380 nan 0.000 0.423 266 W N 1.794 123.096 121.300 0.004 0.000 2.364 266 W HA -0.041 4.636 4.660 0.029 0.000 0.281 266 W C 2.267 178.799 176.519 0.021 0.000 1.219 266 W CA 1.973 59.320 57.345 0.004 0.000 1.220 266 W CB -0.396 29.056 29.460 -0.015 0.000 1.127 266 W HN 0.205 nan 8.180 nan 0.000 0.556 267 A N -0.874 121.879 122.820 -0.112 0.000 2.016 267 A HA -0.106 4.230 4.320 0.026 0.000 0.217 267 A C 2.010 179.512 177.584 -0.137 0.000 1.162 267 A CA 1.477 53.392 52.037 -0.202 0.000 0.662 267 A CB -1.243 17.721 19.000 -0.060 0.000 0.812 267 A HN 0.199 nan 8.150 nan 0.000 0.450 268 S N -0.386 115.247 115.700 -0.111 0.000 2.465 268 S HA -0.179 4.306 4.470 0.026 0.000 0.241 268 S C 1.855 176.368 174.600 -0.144 0.000 1.000 268 S CA 1.406 59.556 58.200 -0.084 0.000 0.964 268 S CB -0.395 62.770 63.200 -0.059 0.000 0.763 268 S HN 0.629 nan 8.310 nan 0.000 0.512 269 Q N -0.452 119.195 119.800 -0.256 0.000 2.311 269 Q HA 0.179 4.534 4.340 0.026 0.000 0.203 269 Q C 1.620 177.437 176.000 -0.305 0.000 0.954 269 Q CA 0.825 56.439 55.803 -0.315 0.000 0.885 269 Q CB 0.134 28.624 28.738 -0.415 0.000 0.963 269 Q HN 0.622 nan 8.270 nan 0.000 0.471 270 I N -1.924 118.478 120.570 -0.280 0.000 4.338 270 I HA 0.039 4.224 4.170 0.026 0.000 0.315 270 I C -0.179 175.747 176.117 -0.317 0.000 1.262 270 I CA 0.036 61.168 61.300 -0.280 0.000 1.298 270 I CB 0.732 38.514 38.000 -0.362 0.000 1.257 270 I HN -0.061 nan 8.210 nan 0.000 0.444 271 Y N 3.668 123.874 120.300 -0.157 0.000 2.330 271 Y HA 0.388 4.953 4.550 0.025 0.000 0.336 271 Y C -2.261 173.575 175.900 -0.107 0.000 1.036 271 Y CA -2.618 55.419 58.100 -0.106 0.000 1.125 271 Y CB 0.698 39.105 38.460 -0.088 0.000 1.194 271 Y HN -0.118 nan 8.280 nan 0.000 0.469 272 P HA 0.296 nan 4.420 nan 0.000 0.290 272 P C 0.465 177.772 177.300 0.010 0.000 1.276 272 P CA 0.019 63.114 63.100 -0.008 0.000 0.808 272 P CB 1.850 33.524 31.700 -0.043 0.000 0.966 273 G N 2.670 111.463 108.800 -0.011 0.000 2.213 273 G HA2 -0.186 3.790 3.960 0.026 0.000 0.226 273 G HA3 -0.186 3.790 3.960 0.026 0.000 0.226 273 G C 0.275 175.162 174.900 -0.021 0.000 0.992 273 G CA -0.465 44.625 45.100 -0.016 0.000 0.632 273 G HN 0.464 nan 8.290 nan 0.000 0.511 274 I N 0.822 121.381 120.570 -0.018 0.000 2.880 274 I HA 0.319 4.505 4.170 0.026 0.000 0.296 274 I C 0.596 176.691 176.117 -0.037 0.000 1.220 274 I CA 0.904 62.183 61.300 -0.035 0.000 1.435 274 I CB 0.885 38.863 38.000 -0.037 0.000 1.339 274 I HN 0.140 nan 8.210 nan 0.000 0.583 275 K N 3.528 123.902 120.400 -0.043 0.000 2.498 275 K HA 0.518 4.854 4.320 0.026 0.000 0.254 275 K C 0.012 176.585 176.600 -0.046 0.000 0.933 275 K CA -0.498 55.764 56.287 -0.041 0.000 0.806 275 K CB 2.380 34.855 32.500 -0.043 0.000 1.301 275 K HN 0.335 nan 8.250 nan 0.000 0.432 276 V N -0.765 119.125 119.914 -0.040 0.000 3.432 276 V HA 0.278 4.413 4.120 0.026 0.000 0.290 276 V C 1.508 177.577 176.094 -0.041 0.000 1.591 276 V CA -0.067 62.207 62.300 -0.044 0.000 1.069 276 V CB 0.403 32.209 31.823 -0.029 0.000 0.892 276 V HN 0.714 nan 8.190 nan 0.000 0.436 277 R N 0.807 121.285 120.500 -0.037 0.000 2.097 277 R HA -0.189 4.166 4.340 0.026 0.000 0.236 277 R C 2.282 178.559 176.300 -0.039 0.000 1.135 277 R CA 2.724 58.804 56.100 -0.033 0.000 0.934 277 R CB -0.185 30.096 30.300 -0.031 0.000 0.846 277 R HN 0.572 nan 8.270 nan 0.000 0.431 278 Q N 0.371 120.141 119.800 -0.049 0.000 2.170 278 Q HA -0.058 4.297 4.340 0.026 0.000 0.203 278 Q C 1.176 177.135 176.000 -0.069 0.000 0.976 278 Q CA 0.948 56.717 55.803 -0.056 0.000 0.858 278 Q CB -0.204 28.497 28.738 -0.063 0.000 0.907 278 Q HN 0.385 nan 8.270 nan 0.000 0.433 282 L N 1.813 123.018 121.223 -0.031 0.000 2.349 282 L HA -0.042 4.313 4.340 0.026 0.000 0.220 282 L C 1.831 178.697 176.870 -0.006 0.000 1.130 282 L CA 1.664 56.489 54.840 -0.025 0.000 0.791 282 L CB -0.874 41.159 42.059 -0.044 0.000 0.918 282 L HN 0.215 nan 8.230 nan 0.000 0.444 283 L N -1.035 120.186 121.223 -0.004 0.000 2.592 283 L HA 0.072 4.427 4.340 0.026 0.000 0.227 283 L C 0.946 177.820 176.870 0.006 0.000 1.127 283 L CA -0.177 54.667 54.840 0.006 0.000 0.884 283 L CB -0.163 41.900 42.059 0.008 0.000 1.065 283 L HN 0.083 nan 8.230 nan 0.000 0.457 284 R N 0.706 121.207 120.500 0.002 0.000 2.489 284 R HA 0.260 4.615 4.340 0.026 0.000 0.287 284 R C 1.250 177.553 176.300 0.005 0.000 1.053 284 R CA 0.581 56.683 56.100 0.003 0.000 1.036 284 R CB 0.244 30.544 30.300 -0.001 0.000 0.966 284 R HN 0.245 nan 8.270 nan 0.000 0.432 285 G N 2.191 110.995 108.800 0.006 0.000 2.180 285 G HA2 -0.351 3.624 3.960 0.026 0.000 0.263 285 G HA3 -0.351 3.624 3.960 0.026 0.000 0.263 285 G C 0.314 175.220 174.900 0.010 0.000 0.989 285 G CA 0.769 45.874 45.100 0.007 0.000 0.692 285 G HN 0.744 nan 8.290 nan 0.000 0.526 286 T N -1.123 113.439 114.554 0.012 0.000 2.908 286 T HA 0.405 4.771 4.350 0.026 0.000 0.301 286 T C 1.341 176.049 174.700 0.015 0.000 1.019 286 T CA 0.637 62.746 62.100 0.015 0.000 1.152 286 T CB 1.459 70.338 68.868 0.019 0.000 0.966 286 T HN 0.770 nan 8.240 nan 0.000 0.540 287 K N 1.159 121.568 120.400 0.015 0.000 2.354 287 K HA 0.526 4.861 4.320 0.026 0.000 0.194 287 K C 0.359 176.967 176.600 0.013 0.000 1.038 287 K CA -0.247 56.047 56.287 0.013 0.000 1.052 287 K CB 0.617 33.124 32.500 0.012 0.000 0.861 287 K HN 0.721 nan 8.250 nan 0.000 0.535 288 A N 1.277 124.107 122.820 0.016 0.000 2.530 288 A HA 0.284 4.619 4.320 0.026 0.000 0.297 288 A C 0.434 178.029 177.584 0.019 0.000 1.059 288 A CA -0.771 51.276 52.037 0.015 0.000 0.782 288 A CB 0.858 19.865 19.000 0.013 0.000 1.301 288 A HN 0.015 nan 8.150 nan 0.000 0.394 289 L N 1.601 122.834 121.223 0.018 0.000 2.113 289 L HA -0.244 4.112 4.340 0.026 0.000 0.221 289 L C 2.686 179.570 176.870 0.023 0.000 1.084 289 L CA 2.994 57.846 54.840 0.021 0.000 0.787 289 L CB -1.720 40.349 42.059 0.016 0.000 0.893 289 L HN 1.065 nan 8.230 nan 0.000 0.440 290 T N -3.868 110.696 114.554 0.017 0.000 3.129 290 T HA -0.013 4.353 4.350 0.026 0.000 0.251 290 T C 0.794 175.506 174.700 0.020 0.000 1.117 290 T CA -0.287 61.821 62.100 0.015 0.000 1.034 290 T CB -0.153 68.719 68.868 0.007 0.000 0.968 290 T HN 0.314 nan 8.240 nan 0.000 0.526 291 E N 1.384 121.599 120.200 0.025 0.000 2.465 291 E HA 0.153 4.519 4.350 0.026 0.000 0.260 291 E C -0.808 175.817 176.600 0.042 0.000 0.980 291 E CA -0.269 56.148 56.400 0.028 0.000 0.927 291 E CB 0.655 30.371 29.700 0.026 0.000 0.934 291 E HN 0.123 nan 8.360 nan 0.000 0.459 292 V N 6.776 126.714 119.914 0.041 0.000 2.427 292 V HA 0.099 4.235 4.120 0.026 0.000 0.268 292 V C 0.128 176.261 176.094 0.065 0.000 1.046 292 V CA -0.231 62.104 62.300 0.059 0.000 0.970 292 V CB 0.663 32.514 31.823 0.046 0.000 1.001 292 V HN 0.508 nan 8.190 nan 0.000 0.476 293 I N 8.180 128.804 120.570 0.090 0.000 2.362 293 I HA 0.398 4.584 4.170 0.026 0.000 0.289 293 I C -2.091 174.074 176.117 0.080 0.000 0.994 293 I CA -2.821 58.520 61.300 0.069 0.000 1.158 293 I CB 1.707 39.739 38.000 0.053 0.000 1.315 293 I HN 0.415 nan 8.210 nan 0.000 0.451 294 P HA 0.217 nan 4.420 nan 0.000 0.276 294 P C -0.488 176.817 177.300 0.009 0.000 1.243 294 P CA -0.322 62.808 63.100 0.049 0.000 0.768 294 P CB 0.995 32.715 31.700 0.034 0.000 0.856 295 L N 3.610 124.824 121.223 -0.014 0.000 2.418 295 L HA 0.113 4.469 4.340 0.026 0.000 0.274 295 L C 1.770 178.603 176.870 -0.061 0.000 1.135 295 L CA -0.141 54.645 54.840 -0.091 0.000 0.870 295 L CB 0.193 42.131 42.059 -0.200 0.000 1.154 295 L HN 0.489 nan 8.230 nan 0.000 0.462 296 T N -1.245 113.271 114.554 -0.063 0.000 2.748 296 T HA 0.003 4.369 4.350 0.026 0.000 0.304 296 T C 1.034 175.703 174.700 -0.052 0.000 1.041 296 T CA -0.369 61.704 62.100 -0.046 0.000 1.033 296 T CB 1.113 69.955 68.868 -0.042 0.000 0.995 296 T HN 0.748 nan 8.240 nan 0.000 0.536 297 E N 0.403 120.581 120.200 -0.037 0.000 2.058 297 E HA -0.239 4.127 4.350 0.026 0.000 0.194 297 E C 1.899 178.472 176.600 -0.046 0.000 0.997 297 E CA 1.717 58.096 56.400 -0.036 0.000 0.801 297 E CB -0.154 29.531 29.700 -0.025 0.000 0.746 297 E HN 0.812 nan 8.360 nan 0.000 0.450 298 E N 0.381 120.554 120.200 -0.045 0.000 2.097 298 E HA -0.214 4.152 4.350 0.026 0.000 0.196 298 E C 1.792 178.350 176.600 -0.069 0.000 1.000 298 E CA 1.429 57.799 56.400 -0.050 0.000 0.804 298 E CB -0.343 29.331 29.700 -0.044 0.000 0.740 298 E HN 0.418 nan 8.360 nan 0.000 0.454 299 A N 0.660 123.429 122.820 -0.086 0.000 1.855 299 A HA -0.213 4.123 4.320 0.026 0.000 0.215 299 A C 2.177 179.672 177.584 -0.148 0.000 1.191 299 A CA 1.706 53.667 52.037 -0.127 0.000 0.613 299 A CB -0.553 18.355 19.000 -0.154 0.000 0.829 299 A HN 0.181 nan 8.150 nan 0.000 0.442 300 E N -0.169 119.955 120.200 -0.127 0.000 2.118 300 E HA -0.166 4.200 4.350 0.026 0.000 0.195 300 E C 1.849 178.399 176.600 -0.083 0.000 0.992 300 E CA 1.201 57.533 56.400 -0.112 0.000 0.804 300 E CB -0.344 29.315 29.700 -0.068 0.000 0.741 300 E HN 0.588 nan 8.360 nan 0.000 0.458 301 L N 0.231 121.413 121.223 -0.068 0.000 2.005 301 L HA -0.173 4.183 4.340 0.026 0.000 0.207 301 L C 2.424 179.257 176.870 -0.062 0.000 1.072 301 L CA 1.948 56.757 54.840 -0.053 0.000 0.744 301 L CB -0.371 41.661 42.059 -0.044 0.000 0.895 301 L HN 0.205 nan 8.230 nan 0.000 0.433 302 E N -0.209 119.946 120.200 -0.074 0.000 2.021 302 E HA -0.331 4.034 4.350 0.026 0.000 0.200 302 E C 2.196 178.742 176.600 -0.090 0.000 1.015 302 E CA 2.042 58.395 56.400 -0.078 0.000 0.824 302 E CB -0.356 29.292 29.700 -0.086 0.000 0.762 302 E HN 0.436 nan 8.360 nan 0.000 0.454 303 L N 0.761 121.910 121.223 -0.124 0.000 2.189 303 L HA -0.186 4.169 4.340 0.026 0.000 0.214 303 L C 2.027 178.847 176.870 -0.082 0.000 1.097 303 L CA 2.248 57.007 54.840 -0.135 0.000 0.764 303 L CB -0.736 41.189 42.059 -0.223 0.000 0.900 303 L HN 0.230 nan 8.230 nan 0.000 0.436 304 A N -0.220 122.559 122.820 -0.067 0.000 1.832 304 A HA -0.197 4.139 4.320 0.026 0.000 0.214 304 A C 2.060 179.621 177.584 -0.038 0.000 1.200 304 A CA 1.512 53.525 52.037 -0.040 0.000 0.610 304 A CB -0.762 18.218 19.000 -0.033 0.000 0.842 304 A HN 0.599 nan 8.150 nan 0.000 0.444 305 E N 0.446 120.621 120.200 -0.042 0.000 2.097 305 E HA -0.240 4.125 4.350 0.026 0.000 0.196 305 E C 1.806 178.378 176.600 -0.047 0.000 1.000 305 E CA 1.344 57.721 56.400 -0.038 0.000 0.804 305 E CB -0.352 29.325 29.700 -0.039 0.000 0.740 305 E HN 0.525 nan 8.360 nan 0.000 0.454 306 N N 0.973 119.637 118.700 -0.060 0.000 2.069 306 N HA -0.151 4.605 4.740 0.026 0.000 0.191 306 N C 1.730 177.187 175.510 -0.087 0.000 1.031 306 N CA 1.149 54.151 53.050 -0.080 0.000 0.852 306 N CB -0.252 38.184 38.487 -0.085 0.000 1.018 306 N HN 0.170 nan 8.380 nan 0.000 0.423 307 R N 1.023 121.488 120.500 -0.058 0.000 2.105 307 R HA -0.088 4.268 4.340 0.026 0.000 0.239 307 R C 1.990 178.263 176.300 -0.044 0.000 1.135 307 R CA 1.234 57.308 56.100 -0.044 0.000 0.967 307 R CB -0.132 30.160 30.300 -0.013 0.000 0.861 307 R HN 0.485 nan 8.270 nan 0.000 0.442 308 E N 0.218 120.397 120.200 -0.035 0.000 2.072 308 E HA -0.134 4.232 4.350 0.026 0.000 0.190 308 E C 1.998 178.588 176.600 -0.017 0.000 0.982 308 E CA 0.750 57.139 56.400 -0.019 0.000 0.803 308 E CB 0.023 29.715 29.700 -0.014 0.000 0.755 308 E HN 0.228 nan 8.360 nan 0.000 0.453 309 I N 1.331 121.878 120.570 -0.038 0.000 2.179 309 I HA -0.242 3.944 4.170 0.026 0.000 0.242 309 I C 2.396 178.484 176.117 -0.047 0.000 1.088 309 I CA 1.303 62.594 61.300 -0.015 0.000 1.357 309 I CB -1.002 36.976 38.000 -0.037 0.000 1.051 309 I HN 0.177 nan 8.210 nan 0.000 0.409 310 L N 0.399 121.477 121.223 -0.242 0.000 2.551 310 L HA -0.169 4.187 4.340 0.026 0.000 0.230 310 L C 1.907 178.740 176.870 -0.061 0.000 1.163 310 L CA 0.941 55.527 54.840 -0.423 0.000 0.826 310 L CB -0.514 41.323 42.059 -0.371 0.000 0.943 310 L HN 0.268 nan 8.230 nan 0.000 0.452 311 K N -0.216 120.193 120.400 0.014 0.000 2.444 311 K HA -0.001 4.335 4.320 0.026 0.000 0.193 311 K C 0.441 177.109 176.600 0.114 0.000 1.024 311 K CA -0.130 56.193 56.287 0.060 0.000 1.077 311 K CB 0.179 32.698 32.500 0.032 0.000 0.833 311 K HN 0.029 nan 8.250 nan 0.000 0.517 312 E N 2.409 122.725 120.200 0.193 0.000 2.313 312 E HA 0.044 4.409 4.350 0.026 0.000 0.276 312 E C -2.304 174.417 176.600 0.201 0.000 1.031 312 E CA -2.466 54.049 56.400 0.191 0.000 0.857 312 E CB 0.707 30.536 29.700 0.215 0.000 1.040 312 E HN -0.085 nan 8.360 nan 0.000 0.408 313 P HA 0.086 nan 4.420 nan 0.000 0.219 313 P C -0.613 176.742 177.300 0.092 0.000 1.847 313 P CA -0.431 62.734 63.100 0.107 0.000 1.059 313 P CB -0.215 31.528 31.700 0.071 0.000 1.900 314 V N 1.807 121.710 119.914 -0.018 0.000 2.529 314 V HA 0.221 4.356 4.120 0.026 0.000 0.292 314 V C 0.613 176.662 176.094 -0.075 0.000 1.028 314 V CA -0.040 62.171 62.300 -0.149 0.000 1.074 314 V CB -0.512 31.081 31.823 -0.383 0.000 0.958 314 V HN 0.531 nan 8.190 nan 0.000 0.481 315 H N 3.134 122.025 119.070 -0.297 0.000 2.797 315 H HA 0.941 5.513 4.556 0.026 0.000 0.362 315 H C -0.075 174.571 175.328 -1.136 0.000 1.183 315 H CA -0.513 55.206 56.048 -0.547 0.000 1.197 315 H CB 2.145 31.683 29.762 -0.373 0.000 1.835 315 H HN 0.880 nan 8.280 nan 0.000 0.567 316 G N -0.342 107.255 108.800 -2.005 0.000 2.766 316 G HA2 0.511 4.487 3.960 0.026 0.000 0.288 316 G HA3 0.511 4.487 3.960 0.026 0.000 0.288 316 G C -1.379 172.693 174.900 -1.380 0.000 1.408 316 G CA -0.572 43.153 45.100 -2.292 0.000 0.852 316 G HN 0.530 nan 8.290 nan 0.000 0.487 317 V N -0.847 118.739 119.914 -0.546 0.000 3.158 317 V HA 0.622 4.758 4.120 0.026 0.000 0.315 317 V C -1.082 175.036 176.094 0.041 0.000 1.148 317 V CA -0.723 61.447 62.300 -0.217 0.000 1.042 317 V CB 1.904 33.712 31.823 -0.024 0.000 1.101 317 V HN 0.628 nan 8.190 nan 0.000 0.448 318 Y N -0.478 119.981 120.300 0.265 0.000 2.488 318 Y HA 0.429 4.995 4.550 0.027 0.000 0.325 318 Y C -0.154 175.939 175.900 0.321 0.000 1.204 318 Y CA -0.937 57.350 58.100 0.311 0.000 1.229 318 Y CB 0.799 39.395 38.460 0.225 0.000 1.274 318 Y HN 0.569 nan 8.280 nan 0.000 0.493 319 Y N 1.959 122.500 120.300 0.402 0.000 2.496 319 Y HA 0.093 4.659 4.550 0.026 0.000 0.334 319 Y C -0.294 175.708 175.900 0.170 0.000 1.080 319 Y CA -0.388 57.878 58.100 0.277 0.000 1.355 319 Y CB 0.420 39.113 38.460 0.388 0.000 1.193 319 Y HN 0.565 nan 8.280 nan 0.000 0.523 320 D N 9.042 129.362 120.400 -0.133 0.000 2.472 320 D HA 0.282 4.937 4.640 0.026 0.000 0.234 320 D C -2.097 173.852 176.300 -0.585 0.000 1.088 320 D CA -2.702 51.130 54.000 -0.280 0.000 0.882 320 D CB 1.723 42.476 40.800 -0.079 0.000 1.037 320 D HN 0.289 nan 8.370 nan 0.000 0.520 321 P HA -0.191 nan 4.420 nan 0.000 0.217 321 P C 1.311 178.460 177.300 -0.251 0.000 1.148 321 P CA 0.968 63.702 63.100 -0.611 0.000 0.834 321 P CB 0.299 31.783 31.700 -0.361 0.000 0.783 322 S N -1.675 113.914 115.700 -0.185 0.000 2.474 322 S HA -0.056 4.430 4.470 0.026 0.000 0.235 322 S C 0.760 175.312 174.600 -0.079 0.000 0.997 322 S CA 0.755 58.895 58.200 -0.101 0.000 0.949 322 S CB -0.532 62.621 63.200 -0.077 0.000 0.766 322 S HN 0.092 nan 8.310 nan 0.000 0.517 323 K N 1.748 122.095 120.400 -0.088 0.000 2.123 323 K HA 0.313 4.648 4.320 0.026 0.000 0.259 323 K C -0.640 175.928 176.600 -0.054 0.000 0.960 323 K CA -0.864 55.387 56.287 -0.059 0.000 0.872 323 K CB 0.741 33.214 32.500 -0.046 0.000 1.079 323 K HN 0.187 nan 8.250 nan 0.000 0.440 324 D N 1.439 121.790 120.400 -0.081 0.000 2.406 324 D HA -0.043 4.613 4.640 0.026 0.000 0.234 324 D C -0.274 175.908 176.300 -0.196 0.000 1.196 324 D CA 0.589 54.513 54.000 -0.126 0.000 0.881 324 D CB 0.661 41.374 40.800 -0.145 0.000 1.205 324 D HN 0.204 nan 8.370 nan 0.000 0.453 325 L N 2.639 123.695 121.223 -0.279 0.000 2.318 325 L HA 0.304 4.660 4.340 0.026 0.000 0.277 325 L C -0.671 175.891 176.870 -0.513 0.000 1.008 325 L CA -0.692 53.877 54.840 -0.452 0.000 0.846 325 L CB 0.785 42.536 42.059 -0.514 0.000 1.220 325 L HN 0.147 nan 8.230 nan 0.000 0.423 326 I N 3.274 123.454 120.570 -0.650 0.000 2.525 326 I HA 0.635 4.821 4.170 0.026 0.000 0.301 326 I C 0.160 175.848 176.117 -0.716 0.000 0.992 326 I CA -0.224 60.631 61.300 -0.742 0.000 1.162 326 I CB 2.016 39.390 38.000 -1.043 0.000 1.332 326 I HN 0.514 nan 8.210 nan 0.000 0.458 327 A N 4.467 126.965 122.820 -0.537 0.000 2.385 327 A HA 0.674 5.009 4.320 0.026 0.000 0.290 327 A C -0.792 176.766 177.584 -0.043 0.000 1.094 327 A CA -0.523 51.331 52.037 -0.306 0.000 0.729 327 A CB 0.945 19.632 19.000 -0.522 0.000 1.194 327 A HN 0.695 nan 8.150 nan 0.000 0.442 328 E N 2.957 123.244 120.200 0.145 0.000 2.187 328 E HA 0.667 5.033 4.350 0.026 0.000 0.268 328 E C -1.238 175.499 176.600 0.228 0.000 0.896 328 E CA -0.471 56.051 56.400 0.204 0.000 0.766 328 E CB 1.116 30.970 29.700 0.256 0.000 1.142 328 E HN 0.649 nan 8.360 nan 0.000 0.408 329 I N 2.814 123.509 120.570 0.209 0.000 2.693 329 I HA 0.329 4.515 4.170 0.026 0.000 0.303 329 I C -0.763 175.490 176.117 0.226 0.000 1.025 329 I CA -0.992 60.451 61.300 0.239 0.000 1.086 329 I CB 1.984 40.104 38.000 0.200 0.000 1.268 329 I HN 0.440 nan 8.210 nan 0.000 0.440 330 Q N 3.439 123.399 119.800 0.266 0.000 2.347 330 Q HA 0.339 4.695 4.340 0.026 0.000 0.271 330 Q C -0.852 175.277 176.000 0.215 0.000 1.064 330 Q CA -0.812 55.110 55.803 0.198 0.000 0.800 330 Q CB 2.431 31.229 28.738 0.099 0.000 1.304 330 Q HN 0.345 nan 8.270 nan 0.000 0.438 331 K N 2.041 122.479 120.400 0.064 0.000 2.250 331 K HA 0.065 4.400 4.320 0.026 0.000 0.285 331 K C 0.290 176.737 176.600 -0.255 0.000 1.097 331 K CA 0.116 56.174 56.287 -0.381 0.000 0.913 331 K CB 0.565 32.770 32.500 -0.493 0.000 1.179 331 K HN 0.717 nan 8.250 nan 0.000 0.462 332 Q N 2.659 122.317 119.800 -0.236 0.000 2.482 332 Q HA 0.033 4.389 4.340 0.026 0.000 0.209 332 Q C -0.071 175.830 176.000 -0.165 0.000 0.961 332 Q CA 0.548 56.266 55.803 -0.142 0.000 0.945 332 Q CB 0.319 29.004 28.738 -0.088 0.000 1.012 332 Q HN 0.913 nan 8.270 nan 0.000 0.515 333 G N 0.055 108.697 108.800 -0.263 0.000 2.321 333 G HA2 -0.061 3.915 3.960 0.026 0.000 0.298 333 G HA3 -0.061 3.915 3.960 0.026 0.000 0.298 333 G C -1.855 172.875 174.900 -0.284 0.000 1.385 333 G CA -0.939 44.040 45.100 -0.201 0.000 0.856 333 G HN 0.156 nan 8.290 nan 0.000 0.584 334 Q N 0.026 119.721 119.800 -0.174 0.000 2.247 334 Q HA 0.383 4.739 4.340 0.026 0.000 0.288 334 Q C 1.526 177.433 176.000 -0.155 0.000 1.079 334 Q CA 1.935 57.646 55.803 -0.152 0.000 0.932 334 Q CB 0.084 28.765 28.738 -0.095 0.000 1.133 334 Q HN 2.313 nan 8.270 nan 0.000 0.377 335 G N 3.220 111.922 108.800 -0.164 0.000 2.347 335 G HA2 -0.327 3.648 3.960 0.026 0.000 0.247 335 G HA3 -0.327 3.648 3.960 0.026 0.000 0.247 335 G C 0.046 174.881 174.900 -0.108 0.000 1.037 335 G CA 0.344 45.425 45.100 -0.032 0.000 0.622 335 G HN 0.616 nan 8.290 nan 0.000 0.521 336 Q N -0.453 119.164 119.800 -0.305 0.000 2.243 336 Q HA 0.571 4.927 4.340 0.026 0.000 0.252 336 Q C -0.890 174.829 176.000 -0.468 0.000 0.909 336 Q CA -0.521 55.154 55.803 -0.213 0.000 0.922 336 Q CB 0.860 29.523 28.738 -0.125 0.000 1.215 336 Q HN 0.457 nan 8.270 nan 0.000 0.427 337 W N 0.504 121.870 121.300 0.111 0.000 3.033 337 W HA 0.495 5.172 4.660 0.027 0.000 0.336 337 W C -0.555 176.013 176.519 0.083 0.000 1.173 337 W CA -0.610 56.807 57.345 0.120 0.000 1.185 337 W CB 1.710 31.291 29.460 0.202 0.000 1.425 337 W HN 0.515 nan 8.180 nan 0.000 0.536 338 T N -0.669 114.072 114.554 0.313 0.000 2.906 338 T HA 0.844 5.210 4.350 0.026 0.000 0.295 338 T C -1.295 173.543 174.700 0.231 0.000 1.075 338 T CA -0.817 61.360 62.100 0.128 0.000 1.005 338 T CB 2.165 71.043 68.868 0.016 0.000 1.136 338 T HN 0.647 nan 8.240 nan 0.000 0.498 339 Y N -1.117 119.192 120.300 0.015 0.000 2.656 339 Y HA 0.727 5.292 4.550 0.024 0.000 0.334 339 Y C -1.865 174.056 175.900 0.036 0.000 1.179 339 Y CA -1.313 56.815 58.100 0.046 0.000 1.050 339 Y CB 1.495 39.983 38.460 0.047 0.000 1.308 339 Y HN 0.813 nan 8.280 nan 0.000 0.456 340 Q N 3.057 123.013 119.800 0.260 0.000 2.280 340 Q HA 0.408 4.763 4.340 0.026 0.000 0.259 340 Q C -1.789 174.384 176.000 0.288 0.000 0.964 340 Q CA -0.699 55.219 55.803 0.192 0.000 0.844 340 Q CB 2.584 31.395 28.738 0.120 0.000 1.334 340 Q HN 0.758 nan 8.270 nan 0.000 0.423 341 I N 3.842 124.558 120.570 0.243 0.000 2.304 341 I HA 0.417 4.603 4.170 0.026 0.000 0.291 341 I C -0.338 175.822 176.117 0.071 0.000 1.018 341 I CA -0.719 60.608 61.300 0.045 0.000 1.260 341 I CB -0.602 37.390 38.000 -0.013 0.000 1.390 341 I HN 0.650 nan 8.210 nan 0.000 0.475 342 Y N 4.003 124.237 120.300 -0.110 0.000 2.581 342 Y HA 0.556 5.121 4.550 0.025 0.000 0.345 342 Y C 0.377 176.196 175.900 -0.135 0.000 1.036 342 Y CA -0.923 57.126 58.100 -0.086 0.000 1.042 342 Y CB 1.409 39.844 38.460 -0.042 0.000 1.289 342 Y HN 0.465 nan 8.280 nan 0.000 0.471 343 Q N 0.953 120.772 119.800 0.033 0.000 2.387 343 Q HA 0.106 4.461 4.340 0.026 0.000 0.208 343 Q C -0.636 175.407 176.000 0.072 0.000 0.935 343 Q CA 0.680 56.453 55.803 -0.049 0.000 0.891 343 Q CB 0.678 29.410 28.738 -0.009 0.000 1.007 343 Q HN 0.847 nan 8.270 nan 0.000 0.548 344 E N 1.497 121.786 120.200 0.148 0.000 2.199 344 E HA 0.423 4.789 4.350 0.026 0.000 0.269 344 E C -2.733 173.890 176.600 0.038 0.000 0.899 344 E CA -2.631 53.823 56.400 0.090 0.000 0.772 344 E CB 1.424 31.128 29.700 0.006 0.000 1.155 344 E HN -0.222 nan 8.360 nan 0.000 0.408 345 P HA -0.191 nan 4.420 nan 0.000 0.261 345 P C -0.439 176.538 177.300 -0.537 0.000 1.140 345 P CA 1.081 63.793 63.100 -0.646 0.000 0.757 345 P CB -0.229 30.972 31.700 -0.832 0.000 0.735 346 F N -0.395 119.320 119.950 -0.390 0.000 2.825 346 F HA -0.301 4.239 4.527 0.022 0.000 0.358 346 F C 0.661 176.343 175.800 -0.197 0.000 0.639 346 F CA 0.436 58.276 58.000 -0.266 0.000 1.153 346 F CB -1.246 37.646 39.000 -0.179 0.000 1.610 346 F HN 0.345 nan 8.300 nan 0.000 0.305 347 K N 2.137 122.544 120.400 0.011 0.000 2.357 347 K HA 0.277 4.613 4.320 0.026 0.000 0.251 347 K C -0.227 176.390 176.600 0.027 0.000 1.069 347 K CA -0.476 55.804 56.287 -0.011 0.000 0.994 347 K CB 0.577 33.084 32.500 0.012 0.000 1.411 347 K HN 0.035 nan 8.250 nan 0.000 0.450 348 N N 2.525 121.218 118.700 -0.013 0.000 2.513 348 N HA 0.155 4.911 4.740 0.026 0.000 0.274 348 N C 0.821 176.474 175.510 0.239 0.000 1.189 348 N CA -0.156 52.968 53.050 0.122 0.000 0.975 348 N CB 1.430 39.985 38.487 0.113 0.000 1.157 348 N HN 0.330 nan 8.380 nan 0.000 0.465 349 L N 0.289 121.707 121.223 0.326 0.000 2.269 349 L HA 0.208 4.564 4.340 0.026 0.000 0.200 349 L C 0.828 177.994 176.870 0.494 0.000 1.069 349 L CA 0.771 55.886 54.840 0.457 0.000 0.804 349 L CB 0.130 42.405 42.059 0.361 0.000 0.987 349 L HN 0.480 nan 8.230 nan 0.000 0.468 350 K N -0.561 120.065 120.400 0.377 0.000 2.527 350 K HA 0.395 4.730 4.320 0.026 0.000 0.260 350 K C -1.167 175.532 176.600 0.165 0.000 0.937 350 K CA -0.492 55.957 56.287 0.269 0.000 0.826 350 K CB 2.082 34.752 32.500 0.282 0.000 1.359 350 K HN 0.011 nan 8.250 nan 0.000 0.434 351 T N -1.018 113.533 114.554 -0.005 0.000 2.907 351 T HA 0.928 5.293 4.350 0.026 0.000 0.290 351 T C -0.067 174.247 174.700 -0.644 0.000 1.066 351 T CA -0.741 61.200 62.100 -0.265 0.000 1.012 351 T CB 1.933 70.695 68.868 -0.178 0.000 1.184 351 T HN 0.733 nan 8.240 nan 0.000 0.522 352 G N -0.143 107.956 108.800 -1.168 0.000 2.489 352 G HA2 0.555 4.530 3.960 0.026 0.000 0.291 352 G HA3 0.555 4.530 3.960 0.026 0.000 0.291 352 G C -2.115 172.236 174.900 -0.916 0.000 1.487 352 G CA -0.964 43.396 45.100 -1.232 0.000 0.795 352 G HN 0.819 nan 8.290 nan 0.000 0.513 353 K N -0.588 119.517 120.400 -0.492 0.000 2.508 353 K HA 0.695 5.031 4.320 0.026 0.000 0.260 353 K C -1.861 174.615 176.600 -0.207 0.000 0.949 353 K CA -0.918 55.219 56.287 -0.250 0.000 0.834 353 K CB 2.077 34.497 32.500 -0.135 0.000 1.365 353 K HN 0.424 nan 8.250 nan 0.000 0.437 354 Y N 0.835 121.264 120.300 0.215 0.000 2.326 354 Y HA 0.409 4.974 4.550 0.024 0.000 0.331 354 Y C 0.015 176.015 175.900 0.165 0.000 0.962 354 Y CA -1.020 57.201 58.100 0.202 0.000 1.167 354 Y CB 1.882 40.487 38.460 0.243 0.000 1.148 354 Y HN 0.714 nan 8.280 nan 0.000 0.463 355 A N 3.409 126.394 122.820 0.276 0.000 2.580 355 A HA 0.058 4.393 4.320 0.026 0.000 0.244 355 A C 0.720 178.402 177.584 0.164 0.000 1.045 355 A CA -0.297 51.842 52.037 0.170 0.000 0.761 355 A CB -0.250 18.831 19.000 0.134 0.000 0.962 355 A HN 0.836 nan 8.150 nan 0.000 0.512 356 R N 3.208 123.774 120.500 0.111 0.000 4.190 356 R HA -0.126 4.230 4.340 0.026 0.000 0.233 356 R C 0.071 176.434 176.300 0.106 0.000 0.471 356 R CA 0.593 56.744 56.100 0.085 0.000 0.966 356 R CB -0.409 29.913 30.300 0.038 0.000 0.942 356 R HN 0.599 nan 8.270 nan 0.000 0.304 357 M N 6.606 126.296 119.600 0.150 0.000 2.266 357 M HA 0.079 4.574 4.480 0.026 0.000 0.340 357 M C -0.262 176.100 176.300 0.103 0.000 1.486 357 M CA -0.023 55.353 55.300 0.126 0.000 1.209 357 M CB 0.292 32.978 32.600 0.142 0.000 1.714 357 M HN 0.567 nan 8.290 nan 0.000 0.459 358 R N 3.791 124.339 120.500 0.080 0.000 2.338 358 R HA 0.802 5.157 4.340 0.026 0.000 0.317 358 R C -0.272 176.075 176.300 0.079 0.000 0.968 358 R CA -0.533 55.611 56.100 0.073 0.000 0.849 358 R CB 0.451 30.784 30.300 0.055 0.000 1.128 358 R HN 0.649 nan 8.270 nan 0.000 0.448 359 G N 0.456 109.313 108.800 0.095 0.000 3.217 359 G HA2 0.506 4.482 3.960 0.026 0.000 0.213 359 G HA3 0.506 4.482 3.960 0.026 0.000 0.213 359 G C -0.093 174.892 174.900 0.142 0.000 1.294 359 G CA -0.170 44.997 45.100 0.111 0.000 0.987 359 G HN 0.563 nan 8.290 nan 0.000 0.584 360 A N -1.495 121.447 122.820 0.203 0.000 2.044 360 A HA 0.475 4.810 4.320 0.026 0.000 0.213 360 A C 0.599 178.437 177.584 0.423 0.000 1.169 360 A CA 1.620 53.819 52.037 0.270 0.000 0.724 360 A CB -0.549 18.632 19.000 0.303 0.000 0.840 360 A HN 1.377 nan 8.150 nan 0.000 0.463 361 H N -3.383 115.764 119.070 0.128 0.000 3.411 361 H HA 0.432 5.003 4.556 0.025 0.000 0.378 361 H C -0.619 174.828 175.328 0.198 0.000 1.619 361 H CA -0.339 55.807 56.048 0.163 0.000 1.657 361 H CB -0.306 29.570 29.762 0.190 0.000 2.666 361 H HN 0.241 nan 8.280 nan 0.000 0.380 362 T N 1.175 115.847 114.554 0.197 0.000 2.606 362 T HA 0.606 4.972 4.350 0.026 0.000 0.289 362 T C -0.769 174.044 174.700 0.188 0.000 1.113 362 T CA -0.499 61.706 62.100 0.176 0.000 1.106 362 T CB 1.425 70.369 68.868 0.127 0.000 1.611 362 T HN 0.921 nan 8.240 nan 0.000 0.471 363 N N -1.221 117.558 118.700 0.131 0.000 2.732 363 N HA 0.434 5.190 4.740 0.026 0.000 0.259 363 N C -0.328 175.202 175.510 0.033 0.000 1.402 363 N CA -0.731 52.378 53.050 0.099 0.000 0.829 363 N CB 0.681 39.219 38.487 0.085 0.000 1.495 363 N HN 0.388 nan 8.380 nan 0.000 0.511 364 D N -0.058 120.401 120.400 0.099 0.000 2.092 364 D HA -0.126 4.530 4.640 0.026 0.000 0.193 364 D C 1.784 178.052 176.300 -0.054 0.000 0.994 364 D CA 1.513 55.616 54.000 0.171 0.000 0.828 364 D CB -0.416 40.538 40.800 0.256 0.000 0.963 364 D HN 0.359 nan 8.370 nan 0.000 0.450 365 V N 1.243 120.933 119.914 -0.372 0.000 2.282 365 V HA -0.297 3.838 4.120 0.026 0.000 0.249 365 V C 2.417 177.997 176.094 -0.857 0.000 1.057 365 V CA 1.890 63.754 62.300 -0.727 0.000 1.032 365 V CB -0.621 30.409 31.823 -1.322 0.000 0.645 365 V HN 0.096 nan 8.190 nan 0.000 0.447 366 K N 0.512 120.369 120.400 -0.906 0.000 2.032 366 K HA -0.218 4.118 4.320 0.026 0.000 0.209 366 K C 2.211 178.627 176.600 -0.307 0.000 1.048 366 K CA 1.832 57.816 56.287 -0.505 0.000 0.927 366 K CB -0.539 31.862 32.500 -0.166 0.000 0.712 366 K HN 0.575 nan 8.250 nan 0.000 0.441 367 Q N -0.014 119.666 119.800 -0.200 0.000 2.124 367 Q HA -0.139 4.217 4.340 0.026 0.000 0.202 367 Q C 2.055 177.715 176.000 -0.567 0.000 0.977 367 Q CA 1.224 56.931 55.803 -0.161 0.000 0.850 367 Q CB -0.265 28.614 28.738 0.236 0.000 0.901 367 Q HN 0.354 nan 8.270 nan 0.000 0.429 368 L N 0.781 121.605 121.223 -0.664 0.000 1.989 368 L HA -0.216 4.140 4.340 0.026 0.000 0.211 368 L C 2.061 178.435 176.870 -0.827 0.000 1.071 368 L CA 1.860 56.069 54.840 -1.051 0.000 0.749 368 L CB -0.818 40.833 42.059 -0.679 0.000 0.890 368 L HN 0.274 nan 8.230 nan 0.000 0.431 369 T N -0.146 114.038 114.554 -0.617 0.000 2.665 369 T HA -0.259 4.106 4.350 0.026 0.000 0.268 369 T C 1.675 176.100 174.700 -0.458 0.000 1.035 369 T CA 1.935 63.730 62.100 -0.508 0.000 1.151 369 T CB -0.203 68.512 68.868 -0.254 0.000 0.862 369 T HN 0.430 nan 8.240 nan 0.000 0.438 370 E N 0.700 120.659 120.200 -0.401 0.000 2.077 370 E HA -0.086 4.280 4.350 0.026 0.000 0.193 370 E C 2.560 178.877 176.600 -0.471 0.000 0.989 370 E CA 0.980 57.167 56.400 -0.355 0.000 0.800 370 E CB -0.261 29.274 29.700 -0.276 0.000 0.746 370 E HN 0.482 nan 8.360 nan 0.000 0.452 371 A N 0.800 123.249 122.820 -0.618 0.000 1.892 371 A HA -0.206 4.129 4.320 0.026 0.000 0.218 371 A C 2.507 179.830 177.584 -0.435 0.000 1.188 371 A CA 1.583 53.264 52.037 -0.592 0.000 0.631 371 A CB -0.890 17.666 19.000 -0.741 0.000 0.822 371 A HN 0.144 nan 8.150 nan 0.000 0.447 372 V N 0.955 120.537 119.914 -0.553 0.000 2.287 372 V HA -0.372 3.763 4.120 0.026 0.000 0.248 372 V C 2.886 178.733 176.094 -0.412 0.000 1.053 372 V CA 2.629 64.546 62.300 -0.638 0.000 1.027 372 V CB -1.092 30.132 31.823 -0.999 0.000 0.646 372 V HN 0.930 nan 8.190 nan 0.000 0.447 373 Q N 0.804 120.392 119.800 -0.354 0.000 2.079 373 Q HA -0.196 4.159 4.340 0.026 0.000 0.200 373 Q C 2.066 177.973 176.000 -0.156 0.000 0.974 373 Q CA 1.933 57.610 55.803 -0.210 0.000 0.840 373 Q CB -0.591 28.045 28.738 -0.169 0.000 0.898 373 Q HN 0.477 nan 8.270 nan 0.000 0.430 374 K N 0.185 120.449 120.400 -0.227 0.000 2.103 374 K HA -0.067 4.268 4.320 0.026 0.000 0.207 374 K C 2.055 178.600 176.600 -0.092 0.000 1.048 374 K CA 1.576 57.743 56.287 -0.199 0.000 0.930 374 K CB -0.182 32.060 32.500 -0.429 0.000 0.716 374 K HN 0.320 nan 8.250 nan 0.000 0.444 375 I N 0.420 120.936 120.570 -0.091 0.000 2.202 375 I HA -0.257 3.929 4.170 0.026 0.000 0.242 375 I C 2.085 178.215 176.117 0.023 0.000 1.091 375 I CA 1.268 62.530 61.300 -0.064 0.000 1.368 375 I CB -0.403 37.561 38.000 -0.061 0.000 1.058 375 I HN 0.192 nan 8.210 nan 0.000 0.410 376 T N 0.171 114.769 114.554 0.074 0.000 2.746 376 T HA -0.165 4.201 4.350 0.026 0.000 0.267 376 T C 1.855 176.580 174.700 0.042 0.000 1.039 376 T CA 2.034 64.193 62.100 0.097 0.000 1.142 376 T CB -0.365 68.557 68.868 0.089 0.000 0.866 376 T HN 0.376 nan 8.240 nan 0.000 0.444 377 T N 1.588 116.145 114.554 0.005 0.000 2.746 377 T HA -0.101 4.264 4.350 0.026 0.000 0.267 377 T C 1.879 176.567 174.700 -0.021 0.000 1.039 377 T CA 1.213 63.309 62.100 -0.005 0.000 1.142 377 T CB -0.239 68.617 68.868 -0.021 0.000 0.866 377 T HN 0.490 nan 8.240 nan 0.000 0.444 378 E N 0.701 120.883 120.200 -0.030 0.000 2.058 378 E HA -0.137 4.228 4.350 0.026 0.000 0.194 378 E C 2.463 178.996 176.600 -0.111 0.000 0.997 378 E CA 1.332 57.689 56.400 -0.073 0.000 0.801 378 E CB -0.023 29.643 29.700 -0.056 0.000 0.746 378 E HN 0.384 nan 8.360 nan 0.000 0.450 379 S N 0.720 116.429 115.700 0.015 0.000 2.356 379 S HA -0.154 4.331 4.470 0.026 0.000 0.223 379 S C 1.960 176.602 174.600 0.071 0.000 1.032 379 S CA 0.866 59.170 58.200 0.173 0.000 1.005 379 S CB -0.178 63.189 63.200 0.278 0.000 0.867 379 S HN 0.267 nan 8.310 nan 0.000 0.449 380 I N 1.715 122.310 120.570 0.041 0.000 2.194 380 I HA -0.144 4.041 4.170 0.026 0.000 0.246 380 I C 2.309 178.411 176.117 -0.025 0.000 1.093 380 I CA 1.221 62.538 61.300 0.030 0.000 1.355 380 I CB -1.605 36.415 38.000 0.032 0.000 1.046 380 I HN 0.170 nan 8.210 nan 0.000 0.413 381 V N 0.982 120.850 119.914 -0.076 0.000 2.307 381 V HA -0.231 3.904 4.120 0.026 0.000 0.245 381 V C 2.451 178.420 176.094 -0.207 0.000 1.045 381 V CA 1.649 63.884 62.300 -0.108 0.000 1.024 381 V CB -0.393 31.365 31.823 -0.108 0.000 0.651 381 V HN 0.267 nan 8.190 nan 0.000 0.449 382 I N -1.644 118.689 120.570 -0.396 0.000 2.286 382 I HA -0.156 4.030 4.170 0.026 0.000 0.245 382 I C 1.840 177.466 176.117 -0.817 0.000 1.104 382 I CA 1.486 62.329 61.300 -0.761 0.000 1.397 382 I CB -0.148 37.007 38.000 -1.409 0.000 1.072 382 I HN 0.408 nan 8.210 nan 0.000 0.417 383 W N 0.327 121.518 121.300 -0.181 0.000 2.702 383 W HA 0.387 5.063 4.660 0.026 0.000 0.369 383 W C 1.291 177.766 176.519 -0.074 0.000 0.987 383 W CA 0.270 57.467 57.345 -0.246 0.000 1.702 383 W CB -0.318 28.831 29.460 -0.518 0.000 1.138 383 W HN 0.254 nan 8.180 nan 0.000 0.552 384 G N 2.913 111.774 108.800 0.101 0.000 2.296 384 G HA2 -0.337 3.639 3.960 0.026 0.000 0.282 384 G HA3 -0.337 3.639 3.960 0.026 0.000 0.282 384 G C 0.236 175.205 174.900 0.116 0.000 1.014 384 G CA 1.440 46.597 45.100 0.096 0.000 0.812 384 G HN 0.418 nan 8.290 nan 0.000 0.508 385 K N -2.296 118.184 120.400 0.133 0.000 2.615 385 K HA 0.708 5.044 4.320 0.026 0.000 0.291 385 K C -0.449 176.199 176.600 0.080 0.000 1.017 385 K CA -0.540 55.806 56.287 0.099 0.000 0.882 385 K CB 0.649 33.204 32.500 0.092 0.000 1.522 385 K HN 0.499 nan 8.250 nan 0.000 0.412 386 T N -1.000 113.574 114.554 0.033 0.000 2.902 386 T HA 0.589 4.955 4.350 0.026 0.000 0.283 386 T C -2.566 172.047 174.700 -0.145 0.000 1.009 386 T CA -1.859 60.235 62.100 -0.010 0.000 1.051 386 T CB 1.195 70.092 68.868 0.048 0.000 0.999 386 T HN 0.354 nan 8.240 nan 0.000 0.474 387 P HA 0.297 nan 4.420 nan 0.000 0.281 387 P C -0.556 176.365 177.300 -0.631 0.000 1.249 387 P CA -0.877 61.892 63.100 -0.552 0.000 0.810 387 P CB 0.591 31.847 31.700 -0.741 0.000 1.008 388 K N 2.874 122.998 120.400 -0.460 0.000 2.298 388 K HA 0.203 4.539 4.320 0.026 0.000 0.280 388 K C -1.136 175.229 176.600 -0.391 0.000 1.032 388 K CA -0.078 56.034 56.287 -0.292 0.000 0.958 388 K CB -0.003 32.376 32.500 -0.202 0.000 0.978 388 K HN 0.306 nan 8.250 nan 0.000 0.472 389 F N 3.221 123.127 119.950 -0.074 0.000 2.420 389 F HA 0.321 4.862 4.527 0.023 0.000 0.342 389 F C 0.492 176.319 175.800 0.044 0.000 1.113 389 F CA -0.545 57.426 58.000 -0.048 0.000 1.059 389 F CB 1.490 40.434 39.000 -0.094 0.000 1.128 389 F HN 0.262 nan 8.300 nan 0.000 0.475 390 K N 5.440 125.960 120.400 0.201 0.000 2.316 390 K HA 0.578 4.914 4.320 0.026 0.000 0.267 390 K C -1.188 175.523 176.600 0.185 0.000 1.025 390 K CA -0.347 56.040 56.287 0.168 0.000 0.896 390 K CB 1.140 33.700 32.500 0.100 0.000 1.124 390 K HN 0.536 nan 8.250 nan 0.000 0.451 391 L N 4.640 126.002 121.223 0.231 0.000 2.365 391 L HA 0.446 4.801 4.340 0.026 0.000 0.273 391 L C -2.095 174.898 176.870 0.205 0.000 1.000 391 L CA -2.237 52.680 54.840 0.128 0.000 0.819 391 L CB 2.096 44.082 42.059 -0.122 0.000 1.284 391 L HN 0.418 nan 8.230 nan 0.000 0.418 392 P HA 0.218 nan 4.420 nan 0.000 0.225 392 P C -0.693 176.807 177.300 0.333 0.000 1.813 392 P CA 0.311 63.543 63.100 0.219 0.000 1.013 392 P CB 0.262 32.047 31.700 0.141 0.000 1.961 393 I N -0.112 120.772 120.570 0.523 0.000 2.715 393 I HA 0.177 4.363 4.170 0.026 0.000 0.288 393 I C -0.878 175.371 176.117 0.219 0.000 1.371 393 I CA -0.728 60.733 61.300 0.269 0.000 1.056 393 I CB 2.383 40.408 38.000 0.041 0.000 1.339 393 I HN -0.058 nan 8.210 nan 0.000 0.425 394 Q N 6.066 125.731 119.800 -0.224 0.000 2.454 394 Q HA 0.197 4.553 4.340 0.026 0.000 0.247 394 Q C 0.429 176.500 176.000 0.117 0.000 1.028 394 Q CA -0.532 55.002 55.803 -0.449 0.000 0.910 394 Q CB 0.947 29.399 28.738 -0.477 0.000 1.276 394 Q HN 0.507 nan 8.270 nan 0.000 0.489 395 K N 1.834 122.327 120.400 0.155 0.000 2.211 395 K HA -0.144 4.192 4.320 0.026 0.000 0.203 395 K C 1.464 178.273 176.600 0.349 0.000 1.050 395 K CA 1.281 57.798 56.287 0.384 0.000 0.945 395 K CB 0.080 32.657 32.500 0.128 0.000 0.732 395 K HN 0.537 nan 8.250 nan 0.000 0.451 396 E N 0.459 120.756 120.200 0.161 0.000 2.106 396 E HA -0.089 4.277 4.350 0.026 0.000 0.192 396 E C 1.989 178.683 176.600 0.157 0.000 0.984 396 E CA 1.361 57.838 56.400 0.129 0.000 0.806 396 E CB -0.430 29.296 29.700 0.044 0.000 0.750 396 E HN 0.180 nan 8.360 nan 0.000 0.458 397 T N 0.560 115.205 114.554 0.153 0.000 2.708 397 T HA -0.179 4.187 4.350 0.026 0.000 0.266 397 T C 1.268 176.146 174.700 0.296 0.000 1.037 397 T CA 1.203 63.396 62.100 0.154 0.000 1.146 397 T CB -0.420 68.499 68.868 0.086 0.000 0.865 397 T HN 0.429 nan 8.240 nan 0.000 0.435 398 W N 1.944 123.362 121.300 0.197 0.000 2.332 398 W HA -0.221 4.453 4.660 0.023 0.000 0.321 398 W C 2.220 179.041 176.519 0.503 0.000 1.219 398 W CA 1.728 59.257 57.345 0.306 0.000 1.277 398 W CB -0.328 29.326 29.460 0.322 0.000 1.161 398 W HN 0.260 nan 8.180 nan 0.000 0.476 399 E N 0.155 120.607 120.200 0.420 0.000 2.070 399 E HA -0.230 4.135 4.350 0.026 0.000 0.197 399 E C 2.134 178.697 176.600 -0.062 0.000 1.004 399 E CA 3.214 59.753 56.400 0.232 0.000 0.805 399 E CB -0.601 29.255 29.700 0.260 0.000 0.744 399 E HN 0.131 nan 8.360 nan 0.000 0.451 400 T N -0.467 114.110 114.554 0.038 0.000 2.652 400 T HA -0.194 4.172 4.350 0.026 0.000 0.267 400 T C 1.214 175.898 174.700 -0.027 0.000 1.039 400 T CA 1.469 63.564 62.100 -0.009 0.000 1.153 400 T CB -0.654 68.247 68.868 0.054 0.000 0.863 400 T HN 0.410 nan 8.240 nan 0.000 0.428 401 W N 0.911 122.132 121.300 -0.131 0.000 2.338 401 W HA -0.106 4.573 4.660 0.031 0.000 0.325 401 W C 2.308 178.680 176.519 -0.245 0.000 1.206 401 W CA 1.224 58.476 57.345 -0.155 0.000 1.257 401 W CB -0.982 28.400 29.460 -0.131 0.000 1.184 401 W HN 0.396 nan 8.180 nan 0.000 0.456 402 W N 1.400 122.370 121.300 -0.550 0.000 2.305 402 W HA -0.299 4.375 4.660 0.023 0.000 0.308 402 W C 2.303 178.476 176.519 -0.576 0.000 1.226 402 W CA 3.200 60.019 57.345 -0.878 0.000 1.253 402 W CB -1.426 27.200 29.460 -1.389 0.000 1.146 402 W HN -0.066 nan 8.180 nan 0.000 0.507 403 T N -0.022 113.815 114.554 -1.194 0.000 2.778 403 T HA -0.264 4.101 4.350 0.026 0.000 0.269 403 T C 1.343 175.654 174.700 -0.648 0.000 1.050 403 T CA 2.207 63.594 62.100 -1.189 0.000 1.137 403 T CB -0.233 68.106 68.868 -0.882 0.000 0.860 403 T HN 0.269 nan 8.240 nan 0.000 0.468 404 E N -1.286 118.623 120.200 -0.484 0.000 2.514 404 E HA 0.263 4.629 4.350 0.026 0.000 0.215 404 E C -0.402 176.034 176.600 -0.274 0.000 0.946 404 E CA -0.367 55.846 56.400 -0.312 0.000 1.038 404 E CB 0.133 29.707 29.700 -0.209 0.000 1.069 404 E HN 0.493 nan 8.360 nan 0.000 0.503 405 Y N 1.690 121.627 120.300 -0.606 0.000 2.811 405 Y HA -0.175 4.392 4.550 0.028 0.000 0.334 405 Y C 1.356 177.011 175.900 -0.408 0.000 1.247 405 Y CA 0.326 58.035 58.100 -0.652 0.000 1.526 405 Y CB 0.410 38.084 38.460 -1.309 0.000 1.284 405 Y HN 0.247 nan 8.280 nan 0.000 0.586 406 W N 4.213 125.101 121.300 -0.686 0.000 2.421 406 W HA -0.104 4.572 4.660 0.026 0.000 0.270 406 W C -0.295 176.032 176.519 -0.320 0.000 1.233 406 W CA 0.571 57.641 57.345 -0.458 0.000 1.226 406 W CB -0.348 28.833 29.460 -0.466 0.000 1.121 406 W HN 0.562 nan 8.180 nan 0.000 0.579 407 Q N 1.092 120.117 119.800 -1.291 0.000 2.226 407 Q HA 0.551 4.907 4.340 0.026 0.000 0.256 407 Q C -0.395 175.397 176.000 -0.347 0.000 0.962 407 Q CA -0.521 54.675 55.803 -1.011 0.000 0.887 407 Q CB 2.017 29.829 28.738 -1.544 0.000 1.282 407 Q HN 0.031 nan 8.270 nan 0.000 0.449 408 A N 1.982 124.687 122.820 -0.192 0.000 2.401 408 A HA 0.496 4.831 4.320 0.026 0.000 0.259 408 A C -0.199 177.400 177.584 0.025 0.000 1.103 408 A CA 0.271 52.286 52.037 -0.037 0.000 0.789 408 A CB 0.798 19.789 19.000 -0.015 0.000 1.035 408 A HN 0.670 nan 8.150 nan 0.000 0.491 409 T N 0.848 115.486 114.554 0.140 0.000 2.821 409 T HA 0.605 4.971 4.350 0.026 0.000 0.306 409 T C -1.986 172.944 174.700 0.384 0.000 1.313 409 T CA -0.305 61.940 62.100 0.240 0.000 1.012 409 T CB 0.914 69.975 68.868 0.323 0.000 1.298 409 T HN 1.328 nan 8.240 nan 0.000 0.502 410 W N 2.245 123.614 121.300 0.116 0.000 3.161 410 W HA 0.705 5.382 4.660 0.029 0.000 0.314 410 W C -2.610 173.806 176.519 -0.171 0.000 1.245 410 W CA -0.961 56.404 57.345 0.033 0.000 1.191 410 W CB 0.876 30.313 29.460 -0.038 0.000 1.392 410 W HN 0.718 nan 8.180 nan 0.000 0.568 411 I N 4.922 124.810 120.570 -1.136 0.000 2.512 411 I HA 0.289 4.475 4.170 0.026 0.000 0.287 411 I C -2.042 173.045 176.117 -1.716 0.000 1.069 411 I CA -2.026 58.446 61.300 -1.381 0.000 1.056 411 I CB 2.164 39.197 38.000 -1.612 0.000 1.229 411 I HN 0.055 nan 8.210 nan 0.000 0.429 412 P HA -0.023 nan 4.420 nan 0.000 0.274 412 P C -0.273 176.837 177.300 -0.318 0.000 1.264 412 P CA -0.387 62.083 63.100 -1.049 0.000 0.795 412 P CB 0.407 31.862 31.700 -0.409 0.000 1.064 413 E N 0.976 121.138 120.200 -0.063 0.000 2.708 413 E HA -0.077 4.289 4.350 0.026 0.000 0.260 413 E C -0.912 175.779 176.600 0.151 0.000 0.937 413 E CA 0.688 57.103 56.400 0.025 0.000 0.953 413 E CB 0.100 29.809 29.700 0.015 0.000 0.915 413 E HN 0.389 nan 8.360 nan 0.000 0.487 414 W N 3.074 124.303 121.300 -0.119 0.000 3.005 414 W HA 0.583 5.254 4.660 0.019 0.000 0.343 414 W C -1.450 175.035 176.519 -0.057 0.000 1.243 414 W CA -0.867 56.431 57.345 -0.077 0.000 1.186 414 W CB 0.520 29.872 29.460 -0.180 0.000 1.453 414 W HN 0.579 nan 8.180 nan 0.000 0.575 415 E N 0.785 121.033 120.200 0.079 0.000 2.408 415 E HA 0.512 4.878 4.350 0.026 0.000 0.275 415 E C -1.951 174.787 176.600 0.230 0.000 0.935 415 E CA -0.748 55.594 56.400 -0.097 0.000 0.775 415 E CB 3.064 32.734 29.700 -0.050 0.000 1.277 415 E HN 0.265 nan 8.360 nan 0.000 0.455 416 F N 3.092 123.044 119.950 0.004 0.000 2.371 416 F HA 0.568 5.099 4.527 0.007 0.000 0.329 416 F C -1.082 174.783 175.800 0.108 0.000 1.107 416 F CA -0.469 57.632 58.000 0.168 0.000 1.137 416 F CB 1.487 40.559 39.000 0.119 0.000 1.214 416 F HN 0.146 nan 8.300 nan 0.000 0.536 417 V N 6.412 125.737 119.914 -0.980 0.000 2.624 417 V HA 0.260 4.395 4.120 0.026 0.000 0.294 417 V C -1.110 174.311 176.094 -1.123 0.000 1.077 417 V CA -0.818 60.994 62.300 -0.813 0.000 0.905 417 V CB 1.232 32.896 31.823 -0.265 0.000 1.025 417 V HN 0.863 nan 8.190 nan 0.000 0.440 418 N N 4.391 122.472 118.700 -1.031 0.000 2.605 418 N HA 0.157 4.912 4.740 0.026 0.000 0.282 418 N C -0.340 175.073 175.510 -0.162 0.000 1.206 418 N CA 0.286 53.077 53.050 -0.430 0.000 1.074 418 N CB 0.260 38.720 38.487 -0.045 0.000 1.434 418 N HN 0.760 nan 8.380 nan 0.000 0.506 419 T N 4.779 119.263 114.554 -0.116 0.000 3.241 419 T HA 0.261 4.627 4.350 0.026 0.000 0.387 419 T C -2.429 172.277 174.700 0.010 0.000 1.451 419 T CA -1.039 61.037 62.100 -0.039 0.000 1.363 419 T CB 1.485 70.331 68.868 -0.036 0.000 1.074 419 T HN 0.353 nan 8.240 nan 0.000 0.598 420 P HA 0.087 nan 4.420 nan 0.000 0.267 420 P C -2.434 174.881 177.300 0.023 0.000 1.195 420 P CA -0.808 62.314 63.100 0.036 0.000 0.773 420 P CB -0.150 31.570 31.700 0.033 0.000 0.837 421 P HA 0.277 nan 4.420 nan 0.000 0.279 421 P C -0.319 177.008 177.300 0.044 0.000 1.239 421 P CA -0.168 62.948 63.100 0.027 0.000 0.789 421 P CB 0.900 32.611 31.700 0.019 0.000 0.933 422 L N 2.152 123.406 121.223 0.052 0.000 2.416 422 L HA 0.485 4.841 4.340 0.026 0.000 0.262 422 L C 0.966 177.845 176.870 0.015 0.000 1.093 422 L CA -1.307 53.586 54.840 0.089 0.000 0.801 422 L CB 1.151 43.297 42.059 0.144 0.000 1.191 422 L HN 0.221 nan 8.230 nan 0.000 0.459 423 V N 0.916 120.851 119.914 0.036 0.000 2.567 423 V HA 0.625 4.761 4.120 0.026 0.000 0.289 423 V C -0.354 175.661 176.094 -0.131 0.000 1.049 423 V CA -0.280 62.001 62.300 -0.031 0.000 0.969 423 V CB 1.341 33.201 31.823 0.061 0.000 0.995 423 V HN 0.964 nan 8.190 nan 0.000 0.471 424 K N 4.493 124.716 120.400 -0.295 0.000 2.507 424 K HA 0.584 4.919 4.320 0.026 0.000 0.284 424 K C -1.659 174.696 176.600 -0.408 0.000 1.038 424 K CA -1.139 54.956 56.287 -0.320 0.000 0.903 424 K CB 1.866 34.149 32.500 -0.362 0.000 1.531 424 K HN 0.619 nan 8.250 nan 0.000 0.430 425 L N 2.330 123.398 121.223 -0.259 0.000 2.268 425 L HA 0.270 4.625 4.340 0.026 0.000 0.289 425 L C 0.229 177.004 176.870 -0.159 0.000 1.064 425 L CA -0.808 53.934 54.840 -0.164 0.000 0.824 425 L CB 0.036 42.067 42.059 -0.047 0.000 1.202 425 L HN 0.688 nan 8.230 nan 0.000 0.433 426 W N 3.041 124.329 121.300 -0.019 0.000 2.387 426 W HA -0.143 4.534 4.660 0.029 0.000 0.272 426 W C 0.584 177.219 176.519 0.194 0.000 1.224 426 W CA 0.518 57.916 57.345 0.088 0.000 1.210 426 W CB -0.477 29.073 29.460 0.149 0.000 1.125 426 W HN 0.538 nan 8.180 nan 0.000 0.572 427 Y N -3.857 116.597 120.300 0.257 0.000 2.741 427 Y HA 0.511 5.076 4.550 0.024 0.000 0.339 427 Y C -1.214 174.782 175.900 0.159 0.000 1.226 427 Y CA -2.109 56.099 58.100 0.180 0.000 1.072 427 Y CB 0.482 39.047 38.460 0.175 0.000 1.331 427 Y HN -0.158 nan 8.280 nan 0.000 0.453 428 Q N 2.689 122.702 119.800 0.355 0.000 2.483 428 Q HA 0.423 4.778 4.340 0.026 0.000 0.245 428 Q C -1.433 174.744 176.000 0.296 0.000 0.902 428 Q CA -0.653 55.291 55.803 0.236 0.000 0.767 428 Q CB 2.338 31.155 28.738 0.132 0.000 1.341 428 Q HN 0.701 nan 8.270 nan 0.000 0.453 429 L N 2.296 123.727 121.223 0.347 0.000 2.593 429 L HA -0.067 4.288 4.340 0.026 0.000 0.287 429 L C 0.914 177.897 176.870 0.188 0.000 1.243 429 L CA 0.443 55.421 54.840 0.230 0.000 0.890 429 L CB 0.103 42.262 42.059 0.167 0.000 1.134 429 L HN 0.420 nan 8.230 nan 0.000 0.502 430 E N 2.476 122.804 120.200 0.213 0.000 2.418 430 E HA -0.072 4.294 4.350 0.026 0.000 0.261 430 E C 0.575 177.347 176.600 0.287 0.000 1.070 430 E CA 0.001 56.546 56.400 0.241 0.000 0.931 430 E CB 0.723 30.586 29.700 0.272 0.000 0.954 430 E HN 0.328 nan 8.360 nan 0.000 0.439 431 K N 0.810 121.328 120.400 0.197 0.000 2.116 431 K HA -0.035 4.300 4.320 0.026 0.000 0.203 431 K C 0.256 177.003 176.600 0.244 0.000 1.052 431 K CA 1.165 57.560 56.287 0.179 0.000 0.952 431 K CB 0.439 32.992 32.500 0.089 0.000 0.729 431 K HN 0.297 nan 8.250 nan 0.000 0.446 432 E N -0.078 120.184 120.200 0.103 0.000 2.369 432 E HA 0.294 4.660 4.350 0.026 0.000 0.270 432 E C -2.678 173.451 176.600 -0.785 0.000 0.909 432 E CA -2.513 53.760 56.400 -0.213 0.000 0.775 432 E CB 1.564 31.181 29.700 -0.138 0.000 1.270 432 E HN -0.082 nan 8.360 nan 0.000 0.445 433 P HA 0.053 nan 4.420 nan 0.000 0.269 433 P C -0.093 176.946 177.300 -0.435 0.000 1.211 433 P CA 0.367 62.750 63.100 -1.194 0.000 0.781 433 P CB 0.538 31.828 31.700 -0.684 0.000 0.877 434 I N 1.426 121.870 120.570 -0.211 0.000 2.304 434 I HA 0.134 4.319 4.170 0.026 0.000 0.291 434 I C 0.558 176.644 176.117 -0.052 0.000 1.018 434 I CA -1.008 60.245 61.300 -0.080 0.000 1.260 434 I CB 1.206 39.207 38.000 0.001 0.000 1.390 434 I HN 0.006 nan 8.210 nan 0.000 0.475 435 V N 6.965 126.850 119.914 -0.048 0.000 2.521 435 V HA 0.291 4.427 4.120 0.026 0.000 0.286 435 V C 1.172 177.261 176.094 -0.008 0.000 1.034 435 V CA 1.608 63.892 62.300 -0.028 0.000 1.045 435 V CB 0.400 32.207 31.823 -0.027 0.000 0.974 435 V HN 1.170 nan 8.190 nan 0.000 0.480 436 G N 4.543 113.344 108.800 0.001 0.000 2.659 436 G HA2 -0.164 3.812 3.960 0.026 0.000 0.212 436 G HA3 -0.164 3.812 3.960 0.026 0.000 0.212 436 G C 0.661 175.574 174.900 0.022 0.000 1.226 436 G CA 0.118 45.224 45.100 0.010 0.000 0.739 436 G HN 1.562 nan 8.290 nan 0.000 0.528 437 A N 1.122 123.958 122.820 0.027 0.000 2.547 437 A HA 0.478 4.813 4.320 0.026 0.000 0.233 437 A C 0.618 178.241 177.584 0.065 0.000 1.067 437 A CA 1.363 53.428 52.037 0.047 0.000 0.763 437 A CB 0.066 19.096 19.000 0.050 0.000 1.007 437 A HN 0.975 nan 8.150 nan 0.000 0.506 438 E N -0.253 120.007 120.200 0.100 0.000 2.410 438 E HA 0.327 4.692 4.350 0.026 0.000 0.255 438 E C -0.687 176.011 176.600 0.164 0.000 1.194 438 E CA 0.103 56.572 56.400 0.115 0.000 0.955 438 E CB 0.482 30.280 29.700 0.163 0.000 0.988 438 E HN 0.557 nan 8.360 nan 0.000 0.461 439 T N 2.757 117.381 114.554 0.117 0.000 2.847 439 T HA 0.370 4.735 4.350 0.026 0.000 0.291 439 T C -1.278 173.504 174.700 0.138 0.000 0.998 439 T CA -0.473 61.720 62.100 0.155 0.000 0.967 439 T CB 0.119 69.067 68.868 0.133 0.000 0.954 439 T HN 0.225 nan 8.240 nan 0.000 0.441 440 F N 2.291 122.222 119.950 -0.030 0.000 2.420 440 F HA 0.469 5.012 4.527 0.027 0.000 0.342 440 F C -0.202 175.595 175.800 -0.006 0.000 1.113 440 F CA -1.265 56.737 58.000 0.002 0.000 1.059 440 F CB 0.970 39.867 39.000 -0.171 0.000 1.128 440 F HN 0.520 nan 8.300 nan 0.000 0.475 441 Y N 3.267 123.672 120.300 0.175 0.000 2.944 441 Y HA 0.395 4.961 4.550 0.026 0.000 0.335 441 Y C 0.220 176.221 175.900 0.169 0.000 1.075 441 Y CA -1.070 57.103 58.100 0.121 0.000 1.240 441 Y CB 0.597 39.093 38.460 0.060 0.000 1.167 441 Y HN 0.404 nan 8.280 nan 0.000 0.555 442 V N -0.687 119.379 119.914 0.253 0.000 3.133 442 V HA 0.609 4.744 4.120 0.026 0.000 0.305 442 V C -0.286 175.902 176.094 0.157 0.000 1.084 442 V CA -0.147 62.300 62.300 0.245 0.000 1.089 442 V CB 1.909 33.843 31.823 0.185 0.000 1.073 442 V HN 0.570 nan 8.190 nan 0.000 0.477 443 D N 0.667 121.151 120.400 0.140 0.000 2.745 443 D HA 0.558 5.213 4.640 0.026 0.000 0.221 443 D C -0.723 175.624 176.300 0.078 0.000 1.237 443 D CA 0.274 54.326 54.000 0.088 0.000 0.781 443 D CB 2.005 42.850 40.800 0.075 0.000 1.575 443 D HN 1.185 nan 8.370 nan 0.000 0.482 444 G N 0.236 109.073 108.800 0.061 0.000 2.662 444 G HA2 0.775 4.750 3.960 0.026 0.000 0.302 444 G HA3 0.775 4.750 3.960 0.026 0.000 0.302 444 G C -1.451 173.478 174.900 0.049 0.000 1.389 444 G CA -0.403 44.729 45.100 0.054 0.000 0.998 444 G HN 0.477 nan 8.290 nan 0.000 0.502 445 A N 0.305 123.151 122.820 0.044 0.000 2.449 445 A HA 1.025 5.361 4.320 0.026 0.000 0.302 445 A C -0.335 177.271 177.584 0.036 0.000 1.048 445 A CA -0.123 51.941 52.037 0.045 0.000 0.708 445 A CB 1.861 20.889 19.000 0.047 0.000 1.274 445 A HN 2.290 nan 8.150 nan 0.000 0.410 446 A N 1.650 124.492 122.820 0.036 0.000 2.574 446 A HA 0.683 5.019 4.320 0.026 0.000 0.297 446 A C -1.034 176.566 177.584 0.027 0.000 1.062 446 A CA -0.676 51.378 52.037 0.028 0.000 0.686 446 A CB 1.148 20.163 19.000 0.025 0.000 1.285 446 A HN 0.781 nan 8.150 nan 0.000 0.403 447 N N 1.333 120.046 118.700 0.021 0.000 2.401 447 N HA 0.047 4.803 4.740 0.026 0.000 0.255 447 N C 0.945 176.466 175.510 0.019 0.000 1.110 447 N CA -0.321 52.740 53.050 0.019 0.000 0.949 447 N CB 0.797 39.293 38.487 0.014 0.000 1.110 447 N HN 0.661 nan 8.380 nan 0.000 0.490 448 R N 2.979 123.492 120.500 0.021 0.000 2.170 448 R HA -0.146 4.210 4.340 0.026 0.000 0.242 448 R C 0.703 177.013 176.300 0.016 0.000 1.145 448 R CA 1.558 57.670 56.100 0.020 0.000 0.984 448 R CB 0.281 30.594 30.300 0.023 0.000 0.869 448 R HN 0.706 nan 8.270 nan 0.000 0.455 449 E N -1.645 118.563 120.200 0.014 0.000 2.079 449 E HA -0.048 4.318 4.350 0.026 0.000 0.191 449 E C 1.660 178.266 176.600 0.010 0.000 0.961 449 E CA 1.306 57.713 56.400 0.011 0.000 0.823 449 E CB -0.058 29.647 29.700 0.010 0.000 0.789 449 E HN 0.371 nan 8.360 nan 0.000 0.459 450 T N -0.698 113.862 114.554 0.010 0.000 3.118 450 T HA -0.001 4.365 4.350 0.026 0.000 0.260 450 T C 0.778 175.483 174.700 0.009 0.000 1.139 450 T CA 0.367 62.472 62.100 0.008 0.000 1.085 450 T CB -0.278 68.594 68.868 0.008 0.000 0.934 450 T HN 0.071 nan 8.240 nan 0.000 0.518 451 K N 0.200 120.606 120.400 0.010 0.000 2.971 451 K HA -0.152 4.184 4.320 0.026 0.000 0.265 451 K C -0.470 176.136 176.600 0.010 0.000 1.052 451 K CA 0.449 56.742 56.287 0.011 0.000 0.780 451 K CB -1.988 30.517 32.500 0.009 0.000 1.214 451 K HN 0.506 nan 8.250 nan 0.000 0.478 452 L N 0.631 121.860 121.223 0.010 0.000 2.275 452 L HA 0.494 4.849 4.340 0.026 0.000 0.288 452 L C 0.859 177.736 176.870 0.013 0.000 1.046 452 L CA -0.285 54.561 54.840 0.010 0.000 0.805 452 L CB 1.577 43.641 42.059 0.008 0.000 1.193 452 L HN 0.214 nan 8.230 nan 0.000 0.426 453 G N 2.774 111.582 108.800 0.013 0.000 2.708 453 G HA2 0.699 4.675 3.960 0.026 0.000 0.289 453 G HA3 0.699 4.675 3.960 0.026 0.000 0.289 453 G C -1.820 173.090 174.900 0.016 0.000 1.416 453 G CA -0.623 44.487 45.100 0.017 0.000 0.829 453 G HN 0.522 nan 8.290 nan 0.000 0.480 454 K N -1.659 118.752 120.400 0.019 0.000 2.480 454 K HA 0.883 5.219 4.320 0.026 0.000 0.258 454 K C -1.160 175.455 176.600 0.026 0.000 0.990 454 K CA -1.052 55.246 56.287 0.017 0.000 0.857 454 K CB 2.616 35.122 32.500 0.009 0.000 1.384 454 K HN 1.348 nan 8.250 nan 0.000 0.446 455 A N 0.313 123.149 122.820 0.027 0.000 2.540 455 A HA 0.801 5.137 4.320 0.026 0.000 0.297 455 A C -0.830 176.777 177.584 0.037 0.000 1.056 455 A CA -0.057 52.007 52.037 0.044 0.000 0.700 455 A CB 1.741 20.777 19.000 0.061 0.000 1.280 455 A HN 1.061 nan 8.150 nan 0.000 0.398 456 G N -0.172 108.659 108.800 0.050 0.000 2.664 456 G HA2 0.831 4.806 3.960 0.026 0.000 0.303 456 G HA3 0.831 4.806 3.960 0.026 0.000 0.303 456 G C -1.233 173.743 174.900 0.126 0.000 1.243 456 G CA 0.391 45.485 45.100 -0.009 0.000 0.826 456 G HN 2.182 nan 8.290 nan 0.000 0.498 457 Y N -2.874 117.490 120.300 0.105 0.000 2.750 457 Y HA 0.762 5.327 4.550 0.027 0.000 0.335 457 Y C -1.373 174.568 175.900 0.069 0.000 1.252 457 Y CA -1.662 56.522 58.100 0.140 0.000 1.064 457 Y CB 1.144 39.775 38.460 0.285 0.000 1.321 457 Y HN 0.781 nan 8.280 nan 0.000 0.451 458 V N 1.371 121.491 119.914 0.343 0.000 2.777 458 V HA 0.651 4.786 4.120 0.026 0.000 0.306 458 V C -0.420 175.737 176.094 0.105 0.000 1.112 458 V CA -0.194 62.188 62.300 0.138 0.000 0.917 458 V CB 1.597 33.432 31.823 0.019 0.000 1.018 458 V HN 1.156 nan 8.190 nan 0.000 0.426 459 T N -0.338 114.181 114.554 -0.059 0.000 2.945 459 T HA 0.304 4.669 4.350 0.026 0.000 0.286 459 T C 1.083 175.733 174.700 -0.082 0.000 1.025 459 T CA -0.325 61.666 62.100 -0.182 0.000 1.039 459 T CB 1.411 69.930 68.868 -0.581 0.000 1.068 459 T HN 0.720 nan 8.240 nan 0.000 0.497 460 N N 1.393 120.085 118.700 -0.013 0.000 2.519 460 N HA -0.140 4.616 4.740 0.026 0.000 0.186 460 N C 1.171 176.657 175.510 -0.040 0.000 1.062 460 N CA 0.646 53.689 53.050 -0.011 0.000 0.910 460 N CB -0.320 38.202 38.487 0.058 0.000 0.958 460 N HN 0.685 nan 8.380 nan 0.000 0.445 461 R N -0.981 119.478 120.500 -0.068 0.000 2.334 461 R HA 0.210 4.565 4.340 0.026 0.000 0.216 461 R C 0.948 177.214 176.300 -0.057 0.000 0.905 461 R CA 0.460 56.525 56.100 -0.058 0.000 1.064 461 R CB 0.432 30.695 30.300 -0.061 0.000 1.046 461 R HN 0.415 nan 8.270 nan 0.000 0.508 462 G N 1.303 110.063 108.800 -0.067 0.000 2.313 462 G HA2 -0.300 3.675 3.960 0.026 0.000 0.215 462 G HA3 -0.300 3.675 3.960 0.026 0.000 0.215 462 G C 0.224 175.099 174.900 -0.041 0.000 1.023 462 G CA -0.320 44.750 45.100 -0.050 0.000 0.626 462 G HN 0.295 nan 8.290 nan 0.000 0.503 463 R N 1.987 122.463 120.500 -0.041 0.000 2.583 463 R HA 0.349 4.704 4.340 0.026 0.000 0.274 463 R C 0.174 176.516 176.300 0.070 0.000 0.998 463 R CA 1.329 57.447 56.100 0.029 0.000 1.081 463 R CB -0.043 30.286 30.300 0.049 0.000 0.940 463 R HN 0.689 nan 8.270 nan 0.000 0.413 464 Q N 2.889 122.685 119.800 -0.006 0.000 2.353 464 Q HA 0.455 4.810 4.340 0.026 0.000 0.275 464 Q C -1.663 174.119 176.000 -0.364 0.000 1.029 464 Q CA -1.160 54.510 55.803 -0.221 0.000 0.848 464 Q CB 2.479 31.137 28.738 -0.134 0.000 1.390 464 Q HN 0.473 nan 8.270 nan 0.000 0.401 465 K N 1.188 121.177 120.400 -0.685 0.000 2.556 465 K HA 0.761 5.096 4.320 0.026 0.000 0.274 465 K C -1.869 174.519 176.600 -0.354 0.000 0.966 465 K CA -0.740 55.272 56.287 -0.458 0.000 0.865 465 K CB 2.632 34.864 32.500 -0.447 0.000 1.444 465 K HN 0.539 nan 8.250 nan 0.000 0.433 466 V N 1.520 121.329 119.914 -0.175 0.000 3.048 466 V HA 0.527 4.662 4.120 0.026 0.000 0.303 466 V C -1.283 174.782 176.094 -0.048 0.000 1.214 466 V CA -0.880 61.361 62.300 -0.099 0.000 0.984 466 V CB 2.112 33.890 31.823 -0.076 0.000 1.054 466 V HN 0.568 nan 8.190 nan 0.000 0.430 467 V N 1.279 121.182 119.914 -0.018 0.000 2.888 467 V HA 0.582 4.717 4.120 0.026 0.000 0.309 467 V C -0.204 175.895 176.094 0.007 0.000 1.114 467 V CA -0.512 61.789 62.300 0.001 0.000 0.940 467 V CB 2.602 34.438 31.823 0.021 0.000 1.021 467 V HN 0.916 nan 8.190 nan 0.000 0.426 468 T N 5.209 119.767 114.554 0.007 0.000 2.837 468 T HA 0.750 5.115 4.350 0.026 0.000 0.285 468 T C -0.574 174.134 174.700 0.012 0.000 0.984 468 T CA -0.208 61.897 62.100 0.008 0.000 1.049 468 T CB 0.622 69.492 68.868 0.005 0.000 0.947 468 T HN 0.399 nan 8.240 nan 0.000 0.472 469 L N 3.245 124.475 121.223 0.013 0.000 2.409 469 L HA 0.534 4.889 4.340 0.026 0.000 0.272 469 L C 0.503 177.379 176.870 0.010 0.000 0.980 469 L CA -1.041 53.807 54.840 0.013 0.000 0.826 469 L CB 2.196 44.264 42.059 0.015 0.000 1.268 469 L HN 0.686 nan 8.230 nan 0.000 0.407 470 T N -2.237 112.322 114.554 0.008 0.000 2.929 470 T HA 0.417 4.782 4.350 0.026 0.000 0.284 470 T C 0.010 174.713 174.700 0.005 0.000 1.014 470 T CA -0.509 61.595 62.100 0.006 0.000 1.051 470 T CB 1.591 70.462 68.868 0.005 0.000 1.028 470 T HN 0.670 nan 8.240 nan 0.000 0.485 471 D N 0.066 120.469 120.400 0.005 0.000 2.828 471 D HA -0.165 4.490 4.640 0.026 0.000 0.241 471 D C -0.364 175.938 176.300 0.002 0.000 1.142 471 D CA 1.623 55.625 54.000 0.003 0.000 0.755 471 D CB -1.137 39.664 40.800 0.002 0.000 1.014 471 D HN 0.982 nan 8.370 nan 0.000 0.420 472 T N -0.508 114.049 114.554 0.005 0.000 2.864 472 T HA 0.778 5.144 4.350 0.026 0.000 0.299 472 T C -0.324 174.380 174.700 0.007 0.000 1.166 472 T CA 0.206 62.309 62.100 0.004 0.000 1.007 472 T CB 1.659 70.530 68.868 0.005 0.000 1.219 472 T HN 0.326 nan 8.240 nan 0.000 0.506 473 T N 0.329 114.887 114.554 0.007 0.000 2.942 473 T HA 0.402 4.767 4.350 0.026 0.000 0.289 473 T C 1.061 175.771 174.700 0.018 0.000 1.044 473 T CA -0.581 61.527 62.100 0.013 0.000 1.023 473 T CB 1.479 70.355 68.868 0.013 0.000 1.123 473 T HN 0.560 nan 8.240 nan 0.000 0.512 474 N N 0.571 119.287 118.700 0.027 0.000 2.104 474 N HA -0.211 4.545 4.740 0.026 0.000 0.190 474 N C 2.067 177.597 175.510 0.033 0.000 1.024 474 N CA 2.304 55.375 53.050 0.035 0.000 0.853 474 N CB -0.385 38.130 38.487 0.047 0.000 1.008 474 N HN 0.835 nan 8.380 nan 0.000 0.424 475 Q N 0.449 120.268 119.800 0.032 0.000 2.030 475 Q HA -0.205 4.151 4.340 0.026 0.000 0.204 475 Q C 1.755 177.746 176.000 -0.016 0.000 0.986 475 Q CA 1.482 57.300 55.803 0.025 0.000 0.843 475 Q CB -0.331 28.434 28.738 0.044 0.000 0.904 475 Q HN 0.216 nan 8.270 nan 0.000 0.420 476 K N 0.648 121.034 120.400 -0.024 0.000 2.000 476 K HA -0.208 4.128 4.320 0.026 0.000 0.218 476 K C 2.455 179.044 176.600 -0.017 0.000 1.053 476 K CA 2.454 58.716 56.287 -0.041 0.000 0.946 476 K CB -0.806 31.676 32.500 -0.031 0.000 0.723 476 K HN 0.592 nan 8.250 nan 0.000 0.446 477 T N 0.393 114.950 114.554 0.005 0.000 2.620 477 T HA -0.266 4.100 4.350 0.026 0.000 0.267 477 T C 1.782 176.502 174.700 0.033 0.000 1.044 477 T CA 1.862 63.976 62.100 0.024 0.000 1.161 477 T CB -0.643 68.243 68.868 0.030 0.000 0.862 477 T HN 0.345 nan 8.240 nan 0.000 0.438 478 E N 1.269 121.486 120.200 0.029 0.000 2.058 478 E HA -0.060 4.305 4.350 0.026 0.000 0.194 478 E C 2.341 178.954 176.600 0.021 0.000 0.997 478 E CA 1.314 57.736 56.400 0.036 0.000 0.801 478 E CB -0.444 29.281 29.700 0.042 0.000 0.746 478 E HN 0.496 nan 8.360 nan 0.000 0.450 479 L N 0.786 121.995 121.223 -0.022 0.000 2.141 479 L HA -0.191 4.165 4.340 0.026 0.000 0.209 479 L C 2.685 179.556 176.870 0.001 0.000 1.094 479 L CA 0.739 55.541 54.840 -0.063 0.000 0.763 479 L CB -0.313 41.648 42.059 -0.163 0.000 0.908 479 L HN 0.114 nan 8.230 nan 0.000 0.437 480 Q N 0.096 119.911 119.800 0.026 0.000 2.079 480 Q HA -0.122 4.233 4.340 0.026 0.000 0.200 480 Q C 2.434 178.518 176.000 0.140 0.000 0.974 480 Q CA 1.667 57.527 55.803 0.096 0.000 0.840 480 Q CB -0.252 28.529 28.738 0.073 0.000 0.898 480 Q HN 0.499 nan 8.270 nan 0.000 0.430 481 A N 0.865 123.749 122.820 0.106 0.000 1.927 481 A HA -0.210 4.125 4.320 0.026 0.000 0.220 481 A C 2.124 179.784 177.584 0.128 0.000 1.185 481 A CA 1.615 53.735 52.037 0.139 0.000 0.639 481 A CB -0.777 18.292 19.000 0.116 0.000 0.820 481 A HN 0.402 nan 8.150 nan 0.000 0.451 482 I N -2.449 118.166 120.570 0.075 0.000 2.439 482 I HA -0.191 3.994 4.170 0.026 0.000 0.251 482 I C 2.431 178.556 176.117 0.013 0.000 1.139 482 I CA 1.233 62.543 61.300 0.017 0.000 1.438 482 I CB -0.394 37.605 38.000 -0.001 0.000 1.085 482 I HN 0.484 nan 8.210 nan 0.000 0.427 483 Y N 2.071 122.330 120.300 -0.069 0.000 2.114 483 Y HA -0.238 4.327 4.550 0.025 0.000 0.284 483 Y C 2.295 178.148 175.900 -0.077 0.000 1.143 483 Y CA 1.598 59.651 58.100 -0.077 0.000 1.135 483 Y CB -0.578 37.851 38.460 -0.052 0.000 0.980 483 Y HN -0.002 nan 8.280 nan 0.000 0.499 484 L N -0.330 120.830 121.223 -0.106 0.000 2.012 484 L HA -0.243 4.113 4.340 0.026 0.000 0.210 484 L C 2.805 179.531 176.870 -0.240 0.000 1.073 484 L CA 1.334 56.105 54.840 -0.114 0.000 0.748 484 L CB -1.307 40.868 42.059 0.193 0.000 0.891 484 L HN 0.263 nan 8.230 nan 0.000 0.431 485 A N 0.364 122.995 122.820 -0.315 0.000 1.927 485 A HA -0.227 4.109 4.320 0.026 0.000 0.220 485 A C 2.284 179.295 177.584 -0.956 0.000 1.185 485 A CA 1.918 53.404 52.037 -0.918 0.000 0.639 485 A CB -0.891 17.721 19.000 -0.648 0.000 0.820 485 A HN 0.414 nan 8.150 nan 0.000 0.451 486 L N -1.126 119.766 121.223 -0.552 0.000 2.217 486 L HA -0.211 4.144 4.340 0.026 0.000 0.211 486 L C 2.859 179.496 176.870 -0.389 0.000 1.107 486 L CA 1.281 55.861 54.840 -0.433 0.000 0.783 486 L CB -0.474 41.417 42.059 -0.280 0.000 0.919 486 L HN 0.549 nan 8.230 nan 0.000 0.442 487 Q N -0.249 119.296 119.800 -0.425 0.000 2.036 487 Q HA -0.119 4.236 4.340 0.026 0.000 0.195 487 Q C 1.207 177.084 176.000 -0.206 0.000 0.971 487 Q CA 1.082 56.689 55.803 -0.326 0.000 0.826 487 Q CB -0.109 28.401 28.738 -0.380 0.000 0.896 487 Q HN 0.372 nan 8.270 nan 0.000 0.449 488 D N 1.277 121.574 120.400 -0.172 0.000 2.390 488 D HA -0.036 4.619 4.640 0.026 0.000 0.235 488 D C 0.316 176.621 176.300 0.009 0.000 1.040 488 D CA 0.437 54.428 54.000 -0.014 0.000 0.923 488 D CB -0.102 40.808 40.800 0.182 0.000 0.886 488 D HN 0.144 nan 8.370 nan 0.000 0.532 489 S N -1.267 114.324 115.700 -0.181 0.000 2.704 489 S HA 0.714 5.200 4.470 0.026 0.000 0.305 489 S C 0.716 175.280 174.600 -0.060 0.000 1.107 489 S CA -0.757 57.373 58.200 -0.117 0.000 0.993 489 S CB 2.223 65.135 63.200 -0.479 0.000 1.110 489 S HN 0.052 nan 8.310 nan 0.000 0.534 490 G N -0.144 108.657 108.800 0.002 0.000 2.489 490 G HA2 0.405 4.381 3.960 0.026 0.000 0.271 490 G HA3 0.405 4.381 3.960 0.026 0.000 0.271 490 G C 0.194 175.081 174.900 -0.021 0.000 1.427 490 G CA -0.714 44.386 45.100 0.001 0.000 1.057 490 G HN 0.540 nan 8.290 nan 0.000 0.532 491 L N -0.066 121.155 121.223 -0.004 0.000 2.610 491 L HA 0.234 4.590 4.340 0.026 0.000 0.232 491 L C 0.911 177.783 176.870 0.004 0.000 1.149 491 L CA 0.748 55.587 54.840 -0.003 0.000 0.872 491 L CB -0.755 41.310 42.059 0.010 0.000 0.992 491 L HN 0.444 nan 8.230 nan 0.000 0.447 492 E N -0.848 119.358 120.200 0.009 0.000 2.265 492 E HA 0.581 4.947 4.350 0.026 0.000 0.262 492 E C -1.294 175.321 176.600 0.026 0.000 0.889 492 E CA -0.300 56.114 56.400 0.022 0.000 0.789 492 E CB 2.508 32.227 29.700 0.032 0.000 1.221 492 E HN -0.204 nan 8.360 nan 0.000 0.414 493 V N 2.198 122.121 119.914 0.015 0.000 3.040 493 V HA 0.468 4.603 4.120 0.026 0.000 0.312 493 V C -0.484 175.649 176.094 0.065 0.000 1.115 493 V CA -1.099 61.213 62.300 0.019 0.000 0.998 493 V CB 2.381 34.126 31.823 -0.130 0.000 1.042 493 V HN 0.603 nan 8.190 nan 0.000 0.433 494 N N 2.532 121.297 118.700 0.110 0.000 2.448 494 N HA 0.653 5.409 4.740 0.026 0.000 0.279 494 N C -1.379 174.184 175.510 0.089 0.000 1.025 494 N CA -0.216 52.919 53.050 0.142 0.000 0.898 494 N CB 2.394 40.959 38.487 0.131 0.000 1.303 494 N HN 0.572 nan 8.380 nan 0.000 0.495 495 I N 1.472 122.057 120.570 0.026 0.000 2.509 495 I HA 0.406 4.591 4.170 0.026 0.000 0.293 495 I C 0.073 176.141 176.117 -0.081 0.000 1.020 495 I CA -1.237 60.045 61.300 -0.030 0.000 1.088 495 I CB 2.218 40.172 38.000 -0.077 0.000 1.267 495 I HN 0.116 nan 8.210 nan 0.000 0.430 496 V N 2.612 122.435 119.914 -0.151 0.000 2.715 496 V HA 0.878 5.013 4.120 0.026 0.000 0.310 496 V C -0.638 175.390 176.094 -0.111 0.000 1.054 496 V CA 0.062 62.252 62.300 -0.183 0.000 0.928 496 V CB 1.938 33.540 31.823 -0.369 0.000 1.007 496 V HN 0.875 nan 8.190 nan 0.000 0.437 497 T N 2.002 116.493 114.554 -0.105 0.000 2.821 497 T HA 0.432 4.798 4.350 0.026 0.000 0.306 497 T C -0.999 173.574 174.700 -0.212 0.000 1.313 497 T CA 0.202 62.261 62.100 -0.068 0.000 1.012 497 T CB 1.952 70.843 68.868 0.039 0.000 1.298 497 T HN 1.039 nan 8.240 nan 0.000 0.502 498 D N 1.111 121.420 120.400 -0.153 0.000 2.559 498 D HA 0.170 4.826 4.640 0.026 0.000 0.234 498 D C 0.072 176.486 176.300 0.190 0.000 1.226 498 D CA -0.319 53.544 54.000 -0.227 0.000 0.830 498 D CB 0.339 40.990 40.800 -0.248 0.000 1.028 498 D HN 0.246 nan 8.370 nan 0.000 0.492 499 S N 0.688 116.568 115.700 0.299 0.000 2.430 499 S HA 0.048 4.533 4.470 0.026 0.000 0.289 499 S C 1.334 176.146 174.600 0.352 0.000 1.143 499 S CA -0.395 57.976 58.200 0.284 0.000 1.067 499 S CB 1.227 64.532 63.200 0.174 0.000 0.964 499 S HN 0.011 nan 8.310 nan 0.000 0.485 500 Q N 3.663 123.606 119.800 0.239 0.000 2.181 500 Q HA -0.183 4.173 4.340 0.026 0.000 0.205 500 Q C 1.244 177.235 176.000 -0.016 0.000 0.980 500 Q CA 1.818 57.635 55.803 0.024 0.000 0.862 500 Q CB -0.388 28.353 28.738 0.006 0.000 0.905 500 Q HN 0.981 nan 8.270 nan 0.000 0.429 501 Y N 0.526 120.799 120.300 -0.045 0.000 2.220 501 Y HA -0.124 4.441 4.550 0.025 0.000 0.291 501 Y C 2.218 178.088 175.900 -0.050 0.000 1.129 501 Y CA 0.948 59.009 58.100 -0.065 0.000 1.161 501 Y CB 0.010 38.439 38.460 -0.051 0.000 0.997 501 Y HN 0.134 nan 8.280 nan 0.000 0.522 502 A N -0.147 122.836 122.820 0.272 0.000 2.131 502 A HA -0.210 4.126 4.320 0.026 0.000 0.220 502 A C 1.918 179.565 177.584 0.104 0.000 1.158 502 A CA 1.506 53.652 52.037 0.180 0.000 0.665 502 A CB -0.851 18.244 19.000 0.159 0.000 0.795 502 A HN 0.545 nan 8.150 nan 0.000 0.460 503 L N -0.807 120.405 121.223 -0.017 0.000 2.209 503 L HA 0.164 4.519 4.340 0.026 0.000 0.207 503 L C 2.335 179.108 176.870 -0.162 0.000 1.094 503 L CA 1.811 56.529 54.840 -0.203 0.000 0.790 503 L CB -0.837 40.871 42.059 -0.584 0.000 0.932 503 L HN 0.277 nan 8.230 nan 0.000 0.447 504 G N -0.710 108.017 108.800 -0.123 0.000 2.421 504 G HA2 -0.157 3.819 3.960 0.026 0.000 0.217 504 G HA3 -0.157 3.819 3.960 0.026 0.000 0.217 504 G C 1.624 176.542 174.900 0.029 0.000 1.143 504 G CA 0.706 45.726 45.100 -0.134 0.000 0.784 504 G HN 0.402 nan 8.290 nan 0.000 0.541 505 I N 0.493 121.153 120.570 0.150 0.000 2.394 505 I HA -0.051 4.135 4.170 0.026 0.000 0.251 505 I C 2.447 178.663 176.117 0.165 0.000 1.136 505 I CA 0.668 62.105 61.300 0.229 0.000 1.425 505 I CB -0.035 38.107 38.000 0.238 0.000 1.079 505 I HN 0.140 nan 8.210 nan 0.000 0.425 506 I N 0.100 120.717 120.570 0.078 0.000 2.546 506 I HA -0.269 3.917 4.170 0.026 0.000 0.255 506 I C 2.532 178.670 176.117 0.035 0.000 1.163 506 I CA 1.178 62.506 61.300 0.046 0.000 1.457 506 I CB -0.226 37.766 38.000 -0.013 0.000 1.092 506 I HN 0.365 nan 8.210 nan 0.000 0.434 507 Q N 0.789 120.581 119.800 -0.013 0.000 2.134 507 Q HA -0.044 4.311 4.340 0.026 0.000 0.195 507 Q C 2.261 178.293 176.000 0.053 0.000 0.958 507 Q CA 1.253 57.019 55.803 -0.061 0.000 0.840 507 Q CB 0.097 28.679 28.738 -0.260 0.000 0.918 507 Q HN 0.462 nan 8.270 nan 0.000 0.467 508 A N 0.003 122.894 122.820 0.119 0.000 2.030 508 A HA -0.008 4.328 4.320 0.026 0.000 0.215 508 A C 0.516 178.346 177.584 0.411 0.000 1.164 508 A CA 0.455 52.692 52.037 0.333 0.000 0.697 508 A CB 0.026 19.222 19.000 0.327 0.000 0.827 508 A HN 0.536 nan 8.150 nan 0.000 0.457 509 Q N -0.601 119.397 119.800 0.330 0.000 2.439 509 Q HA -0.132 4.224 4.340 0.026 0.000 0.325 509 Q C -2.116 174.102 176.000 0.362 0.000 1.372 509 Q CA 0.313 56.337 55.803 0.368 0.000 0.909 509 Q CB -1.641 27.254 28.738 0.262 0.000 1.167 509 Q HN 0.602 nan 8.270 nan 0.000 0.418 510 P HA -0.069 nan 4.420 nan 0.000 0.272 510 P C 0.114 177.607 177.300 0.322 0.000 1.248 510 P CA 0.719 64.027 63.100 0.346 0.000 0.799 510 P CB 0.473 32.397 31.700 0.374 0.000 0.997 511 D N -3.055 117.483 120.400 0.231 0.000 2.562 511 D HA 0.093 4.748 4.640 0.026 0.000 0.246 511 D C -0.056 176.265 176.300 0.034 0.000 1.347 511 D CA -0.172 53.915 54.000 0.145 0.000 0.800 511 D CB 0.014 40.889 40.800 0.125 0.000 1.111 511 D HN 0.544 nan 8.370 nan 0.000 0.508 512 Q N -0.933 118.926 119.800 0.098 0.000 2.617 512 Q HA 0.547 4.903 4.340 0.026 0.000 0.270 512 Q C -1.506 174.572 176.000 0.129 0.000 0.967 512 Q CA -0.923 54.919 55.803 0.065 0.000 0.887 512 Q CB 1.487 30.249 28.738 0.040 0.000 1.516 512 Q HN 0.190 nan 8.270 nan 0.000 0.395 513 S N -0.413 115.346 115.700 0.098 0.000 2.655 513 S HA 0.233 4.718 4.470 0.026 0.000 0.266 513 S C -0.048 174.598 174.600 0.077 0.000 1.149 513 S CA -0.213 58.066 58.200 0.131 0.000 0.818 513 S CB 0.751 64.052 63.200 0.169 0.000 1.130 513 S HN 0.832 nan 8.310 nan 0.000 0.476 514 E N 0.259 120.510 120.200 0.085 0.000 2.478 514 E HA 0.173 4.538 4.350 0.026 0.000 0.198 514 E C 0.501 177.114 176.600 0.021 0.000 1.046 514 E CA 0.667 57.099 56.400 0.053 0.000 0.870 514 E CB 0.014 29.751 29.700 0.063 0.000 0.818 514 E HN 0.424 nan 8.360 nan 0.000 0.527 515 S N 0.266 115.970 115.700 0.007 0.000 2.530 515 S HA 0.148 4.633 4.470 0.026 0.000 0.322 515 S C 0.509 175.070 174.600 -0.065 0.000 1.085 515 S CA -0.742 57.437 58.200 -0.036 0.000 1.096 515 S CB 1.549 64.711 63.200 -0.064 0.000 0.988 515 S HN 0.212 nan 8.310 nan 0.000 0.466 516 E N 4.245 124.402 120.200 -0.072 0.000 2.118 516 E HA -0.138 4.228 4.350 0.026 0.000 0.195 516 E C 1.655 178.165 176.600 -0.150 0.000 0.992 516 E CA 1.563 57.906 56.400 -0.094 0.000 0.804 516 E CB -0.203 29.445 29.700 -0.086 0.000 0.741 516 E HN 0.816 nan 8.360 nan 0.000 0.458 517 L N -0.356 120.766 121.223 -0.168 0.000 1.989 517 L HA -0.215 4.141 4.340 0.026 0.000 0.211 517 L C 2.227 178.948 176.870 -0.249 0.000 1.071 517 L CA 1.479 56.173 54.840 -0.243 0.000 0.749 517 L CB -0.242 41.696 42.059 -0.203 0.000 0.890 517 L HN 0.164 nan 8.230 nan 0.000 0.431 518 V N -0.023 119.773 119.914 -0.197 0.000 2.407 518 V HA -0.259 3.877 4.120 0.026 0.000 0.248 518 V C 2.161 178.187 176.094 -0.113 0.000 1.055 518 V CA 1.756 63.949 62.300 -0.177 0.000 1.049 518 V CB -0.939 30.793 31.823 -0.152 0.000 0.662 518 V HN 0.518 nan 8.190 nan 0.000 0.455 519 N N 0.352 118.990 118.700 -0.104 0.000 2.166 519 N HA -0.184 4.571 4.740 0.026 0.000 0.186 519 N C 1.951 177.398 175.510 -0.106 0.000 1.019 519 N CA 1.380 54.380 53.050 -0.084 0.000 0.856 519 N CB -0.319 38.118 38.487 -0.082 0.000 0.993 519 N HN 0.603 nan 8.380 nan 0.000 0.426 520 Q N 0.419 120.112 119.800 -0.179 0.000 2.084 520 Q HA 0.023 4.379 4.340 0.026 0.000 0.202 520 Q C 2.159 178.116 176.000 -0.072 0.000 0.978 520 Q CA 0.856 56.528 55.803 -0.219 0.000 0.844 520 Q CB -0.061 28.318 28.738 -0.598 0.000 0.898 520 Q HN 0.389 nan 8.270 nan 0.000 0.426 521 I N 0.529 121.038 120.570 -0.101 0.000 2.208 521 I HA -0.305 3.880 4.170 0.026 0.000 0.245 521 I C 2.163 178.264 176.117 -0.027 0.000 1.097 521 I CA 1.186 62.498 61.300 0.020 0.000 1.363 521 I CB -0.337 37.635 38.000 -0.048 0.000 1.051 521 I HN 0.240 nan 8.210 nan 0.000 0.413 522 I N 0.379 120.922 120.570 -0.046 0.000 2.179 522 I HA -0.259 3.926 4.170 0.026 0.000 0.242 522 I C 2.577 178.665 176.117 -0.048 0.000 1.088 522 I CA 1.220 62.493 61.300 -0.044 0.000 1.357 522 I CB -0.543 37.469 38.000 0.019 0.000 1.051 522 I HN 0.233 nan 8.210 nan 0.000 0.409 523 E N 0.746 120.926 120.200 -0.033 0.000 2.097 523 E HA -0.240 4.125 4.350 0.026 0.000 0.196 523 E C 2.195 178.794 176.600 -0.000 0.000 1.000 523 E CA 1.221 57.609 56.400 -0.020 0.000 0.804 523 E CB -0.341 29.353 29.700 -0.010 0.000 0.740 523 E HN 0.549 nan 8.360 nan 0.000 0.454 524 Q N 0.175 119.983 119.800 0.013 0.000 2.079 524 Q HA -0.022 4.333 4.340 0.026 0.000 0.200 524 Q C 2.612 178.562 176.000 -0.083 0.000 0.974 524 Q CA 0.560 56.351 55.803 -0.019 0.000 0.840 524 Q CB -0.325 28.412 28.738 -0.001 0.000 0.898 524 Q HN 0.340 nan 8.270 nan 0.000 0.430 525 L N 0.240 121.373 121.223 -0.151 0.000 2.042 525 L HA -0.205 4.150 4.340 0.026 0.000 0.210 525 L C 2.429 179.169 176.870 -0.216 0.000 1.076 525 L CA 1.043 55.695 54.840 -0.315 0.000 0.749 525 L CB -0.420 41.246 42.059 -0.655 0.000 0.893 525 L HN 0.188 nan 8.230 nan 0.000 0.432 526 I N -0.379 120.153 120.570 -0.063 0.000 2.202 526 I HA -0.299 3.887 4.170 0.026 0.000 0.242 526 I C 2.434 178.619 176.117 0.113 0.000 1.091 526 I CA 1.351 62.743 61.300 0.153 0.000 1.368 526 I CB -0.243 37.885 38.000 0.213 0.000 1.058 526 I HN 0.192 nan 8.210 nan 0.000 0.410 527 K N 0.595 121.026 120.400 0.051 0.000 2.280 527 K HA -0.097 4.239 4.320 0.026 0.000 0.202 527 K C 0.543 177.158 176.600 0.026 0.000 1.047 527 K CA 0.679 56.990 56.287 0.041 0.000 0.942 527 K CB 0.032 32.541 32.500 0.014 0.000 0.739 527 K HN 0.148 nan 8.250 nan 0.000 0.457 528 K N 0.842 121.245 120.400 0.005 0.000 2.202 528 K HA -0.014 4.322 4.320 0.026 0.000 0.264 528 K C 0.821 177.443 176.600 0.036 0.000 1.010 528 K CA 0.302 56.588 56.287 -0.002 0.000 0.940 528 K CB 1.255 33.731 32.500 -0.040 0.000 0.983 528 K HN 0.088 nan 8.250 nan 0.000 0.475 529 E N 1.164 121.383 120.200 0.032 0.000 2.216 529 E HA -0.014 4.351 4.350 0.026 0.000 0.192 529 E C -0.520 176.114 176.600 0.056 0.000 0.973 529 E CA 0.862 57.290 56.400 0.047 0.000 0.851 529 E CB 0.517 30.238 29.700 0.036 0.000 0.804 529 E HN 0.282 nan 8.360 nan 0.000 0.477 530 K N 0.355 120.784 120.400 0.047 0.000 2.589 530 K HA 0.348 4.683 4.320 0.026 0.000 0.253 530 K C -1.817 174.816 176.600 0.055 0.000 0.974 530 K CA -0.510 55.814 56.287 0.063 0.000 0.835 530 K CB 2.706 35.240 32.500 0.058 0.000 1.272 530 K HN -0.147 nan 8.250 nan 0.000 0.444 531 V N 2.820 122.780 119.914 0.077 0.000 2.686 531 V HA 0.366 4.502 4.120 0.026 0.000 0.306 531 V C -1.540 174.635 176.094 0.136 0.000 1.065 531 V CA -0.943 61.393 62.300 0.060 0.000 0.894 531 V CB 1.840 33.650 31.823 -0.021 0.000 1.004 531 V HN 0.728 nan 8.190 nan 0.000 0.424 532 Y N 4.933 125.233 120.300 -0.000 0.000 2.376 532 Y HA 0.639 5.204 4.550 0.025 0.000 0.326 532 Y C -0.721 175.181 175.900 0.002 0.000 0.970 532 Y CA -0.607 57.501 58.100 0.013 0.000 1.248 532 Y CB 1.265 39.731 38.460 0.011 0.000 1.117 532 Y HN 0.589 nan 8.280 nan 0.000 0.476 533 L N 5.632 126.595 121.223 -0.434 0.000 2.326 533 L HA 0.759 5.114 4.340 0.026 0.000 0.278 533 L C -0.284 176.291 176.870 -0.491 0.000 1.092 533 L CA -0.613 54.037 54.840 -0.317 0.000 0.810 533 L CB 1.006 42.970 42.059 -0.158 0.000 1.153 533 L HN 0.808 nan 8.230 nan 0.000 0.439 534 A N 3.854 126.534 122.820 -0.234 0.000 2.393 534 A HA 0.491 4.827 4.320 0.026 0.000 0.306 534 A C -1.893 175.700 177.584 0.015 0.000 1.050 534 A CA -0.433 51.529 52.037 -0.125 0.000 0.724 534 A CB 1.099 20.090 19.000 -0.015 0.000 1.248 534 A HN 0.739 nan 8.150 nan 0.000 0.424 535 W N 3.125 124.375 121.300 -0.083 0.000 2.529 535 W HA 0.598 5.274 4.660 0.025 0.000 0.321 535 W C -0.808 175.694 176.519 -0.029 0.000 1.047 535 W CA -0.377 56.936 57.345 -0.053 0.000 1.216 535 W CB 1.854 31.284 29.460 -0.051 0.000 1.357 535 W HN 0.878 nan 8.180 nan 0.000 0.489 536 V N 4.011 123.210 119.914 -1.192 0.000 2.925 536 V HA 0.678 4.813 4.120 0.026 0.000 0.311 536 V C -2.685 172.493 176.094 -1.527 0.000 1.104 536 V CA -3.168 58.506 62.300 -1.044 0.000 0.954 536 V CB 1.530 33.075 31.823 -0.463 0.000 1.022 536 V HN 0.473 nan 8.190 nan 0.000 0.427 537 P HA 0.286 nan 4.420 nan 0.000 0.266 537 P C -0.291 176.769 177.300 -0.400 0.000 1.193 537 P CA 0.537 63.260 63.100 -0.628 0.000 0.770 537 P CB 0.453 32.014 31.700 -0.233 0.000 0.836 538 A N 3.566 126.222 122.820 -0.273 0.000 2.331 538 A HA 0.538 4.873 4.320 0.026 0.000 0.283 538 A C -0.278 177.072 177.584 -0.391 0.000 1.142 538 A CA 0.032 51.815 52.037 -0.423 0.000 0.812 538 A CB -0.384 18.288 19.000 -0.547 0.000 1.074 538 A HN 0.754 nan 8.150 nan 0.000 0.497 539 H N 0.000 119.057 119.070 -0.022 0.000 2.539 539 H HA 0.000 4.572 4.556 0.026 0.000 0.296 539 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 539 H CB 0.000 29.764 29.762 0.004 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496