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 3dm2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXXK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSIXXETP 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 0.000 177.336 177.300 0.060 0.000 1.155 1 P CA 0.000 63.126 63.100 0.044 0.000 0.800 1 P CB 0.000 31.723 31.700 0.039 0.000 0.726 2 I N 0.323 120.928 120.570 0.059 0.000 2.834 2 I HA 0.366 4.548 4.170 0.021 0.000 0.305 2 I C 0.633 176.794 176.117 0.072 0.000 1.008 2 I CA -0.473 60.868 61.300 0.070 0.000 1.273 2 I CB 1.241 39.282 38.000 0.068 0.000 1.432 2 I HN 0.258 nan 8.210 nan 0.000 0.557 3 S N 3.979 119.729 115.700 0.084 0.000 2.541 3 S HA 0.307 4.790 4.470 0.021 0.000 0.283 3 S C -2.036 172.642 174.600 0.130 0.000 1.196 3 S CA -0.951 57.325 58.200 0.126 0.000 1.062 3 S CB 1.284 64.567 63.200 0.139 0.000 1.009 3 S HN 0.482 nan 8.310 nan 0.000 0.502 4 P HA 0.283 nan 4.420 nan 0.000 0.220 4 P C -0.585 176.836 177.300 0.202 0.000 1.793 4 P CA 0.089 63.253 63.100 0.106 0.000 0.917 4 P CB -0.321 31.381 31.700 0.004 0.000 1.755 5 I N -0.878 119.828 120.570 0.226 0.000 2.441 5 I HA 0.304 4.486 4.170 0.021 0.000 0.295 5 I C 0.520 176.716 176.117 0.132 0.000 0.994 5 I CA -1.006 60.435 61.300 0.235 0.000 1.144 5 I CB 1.737 39.855 38.000 0.197 0.000 1.314 5 I HN -0.199 nan 8.210 nan 0.000 0.445 6 E N 3.970 124.242 120.200 0.120 0.000 2.537 6 E HA -0.061 4.302 4.350 0.021 0.000 0.269 6 E C -0.398 176.243 176.600 0.070 0.000 1.038 6 E CA 0.431 56.882 56.400 0.085 0.000 0.977 6 E CB 0.657 30.404 29.700 0.077 0.000 0.973 6 E HN 0.689 nan 8.360 nan 0.000 0.456 7 T N -1.666 112.928 114.554 0.066 0.000 2.927 7 T HA 0.485 4.847 4.350 0.021 0.000 0.281 7 T C 0.092 174.831 174.700 0.065 0.000 0.998 7 T CA -0.964 61.175 62.100 0.066 0.000 1.019 7 T CB 1.297 70.208 68.868 0.072 0.000 1.061 7 T HN 0.106 nan 8.240 nan 0.000 0.518 8 V N 3.725 123.682 119.914 0.072 0.000 2.394 8 V HA 0.400 4.533 4.120 0.021 0.000 0.282 8 V C -1.956 174.192 176.094 0.090 0.000 1.031 8 V CA -2.122 60.226 62.300 0.080 0.000 0.881 8 V CB 1.359 33.239 31.823 0.095 0.000 0.982 8 V HN 0.858 nan 8.190 nan 0.000 0.451 9 P HA 0.090 nan 4.420 nan 0.000 0.263 9 P C -0.533 176.803 177.300 0.060 0.000 1.247 9 P CA 0.297 63.439 63.100 0.071 0.000 0.876 9 P CB 0.572 32.304 31.700 0.053 0.000 0.928 10 V N 5.498 125.443 119.914 0.053 0.000 2.539 10 V HA 0.343 4.476 4.120 0.021 0.000 0.292 10 V C 0.681 176.764 176.094 -0.019 0.000 1.045 10 V CA -0.253 62.017 62.300 -0.050 0.000 0.945 10 V CB 1.634 33.296 31.823 -0.267 0.000 0.993 10 V HN 0.444 nan 8.190 nan 0.000 0.464 11 K N 3.748 124.106 120.400 -0.070 0.000 2.443 11 K HA 0.676 5.009 4.320 0.021 0.000 0.251 11 K C -1.369 175.257 176.600 0.044 0.000 0.972 11 K CA -0.897 55.414 56.287 0.041 0.000 0.833 11 K CB 2.559 35.054 32.500 -0.007 0.000 1.317 11 K HN 0.373 nan 8.250 nan 0.000 0.441 12 L N 1.716 122.983 121.223 0.073 0.000 2.379 12 L HA 0.328 4.681 4.340 0.021 0.000 0.269 12 L C 0.458 177.317 176.870 -0.019 0.000 1.084 12 L CA -0.584 54.276 54.840 0.032 0.000 0.802 12 L CB 0.679 42.660 42.059 -0.130 0.000 1.175 12 L HN 0.405 nan 8.230 nan 0.000 0.448 13 K N 1.723 122.114 120.400 -0.015 0.000 2.455 13 K HA 0.007 4.340 4.320 0.021 0.000 0.269 13 K C -2.198 174.389 176.600 -0.021 0.000 0.972 13 K CA -1.117 55.154 56.287 -0.027 0.000 0.938 13 K CB -0.112 32.381 32.500 -0.012 0.000 0.931 13 K HN 0.286 nan 8.250 nan 0.000 0.507 14 P HA -0.184 nan 4.420 nan 0.000 0.249 14 P C 0.527 177.826 177.300 -0.002 0.000 1.140 14 P CA 1.532 64.626 63.100 -0.011 0.000 0.803 14 P CB -0.106 31.588 31.700 -0.011 0.000 0.745 15 G N 2.956 111.757 108.800 0.002 0.000 2.451 15 G HA2 -0.379 3.594 3.960 0.021 0.000 0.253 15 G HA3 -0.379 3.594 3.960 0.021 0.000 0.253 15 G C 0.489 175.399 174.900 0.015 0.000 1.033 15 G CA 0.413 45.521 45.100 0.012 0.000 0.633 15 G HN 0.456 nan 8.290 nan 0.000 0.537 16 M N 0.573 120.178 119.600 0.008 0.000 2.231 16 M HA 0.389 4.881 4.480 0.021 0.000 0.299 16 M C 0.569 176.871 176.300 0.004 0.000 1.076 16 M CA 0.771 56.078 55.300 0.013 0.000 1.152 16 M CB 0.142 32.748 32.600 0.010 0.000 1.414 16 M HN 0.340 nan 8.290 nan 0.000 0.439 17 D N -0.406 120.014 120.400 0.032 0.000 2.467 17 D HA 0.530 5.182 4.640 0.021 0.000 0.245 17 D C -0.367 175.945 176.300 0.020 0.000 1.038 17 D CA -0.250 53.787 54.000 0.062 0.000 1.038 17 D CB 1.271 42.181 40.800 0.183 0.000 1.278 17 D HN 0.619 nan 8.370 nan 0.000 0.564 18 G N 0.350 109.159 108.800 0.015 0.000 2.554 18 G HA2 0.358 4.331 3.960 0.021 0.000 0.238 18 G HA3 0.358 4.331 3.960 0.021 0.000 0.238 18 G C -2.362 172.705 174.900 0.279 0.000 1.259 18 G CA -0.754 44.266 45.100 -0.133 0.000 0.843 18 G HN 0.346 nan 8.290 nan 0.000 0.582 19 P HA 0.232 nan 4.420 nan 0.000 0.271 19 P C -0.455 177.020 177.300 0.291 0.000 1.218 19 P CA 0.028 63.275 63.100 0.244 0.000 0.780 19 P CB 0.693 32.522 31.700 0.216 0.000 0.901 20 K N 1.332 121.846 120.400 0.190 0.000 3.084 20 K HA 0.298 4.631 4.320 0.021 0.000 0.172 20 K C -1.173 175.477 176.600 0.082 0.000 1.078 20 K CA -0.385 55.977 56.287 0.126 0.000 0.875 20 K CB 0.813 33.364 32.500 0.084 0.000 1.064 20 K HN 0.139 nan 8.250 nan 0.000 0.597 21 V N 1.815 121.784 119.914 0.090 0.000 2.383 21 V HA 0.164 4.296 4.120 0.021 0.000 0.275 21 V C 0.471 176.584 176.094 0.032 0.000 1.036 21 V CA -0.796 61.540 62.300 0.059 0.000 0.889 21 V CB 1.069 32.941 31.823 0.083 0.000 0.985 21 V HN 0.417 nan 8.190 nan 0.000 0.459 22 K N 3.228 123.625 120.400 -0.004 0.000 2.524 22 K HA -0.009 4.324 4.320 0.021 0.000 0.279 22 K C 0.275 176.865 176.600 -0.017 0.000 0.993 22 K CA -0.102 56.171 56.287 -0.025 0.000 1.030 22 K CB 0.374 32.836 32.500 -0.064 0.000 0.891 22 K HN 0.703 nan 8.250 nan 0.000 0.488 23 Q N 4.670 124.468 119.800 -0.002 0.000 2.296 23 Q HA -0.015 4.338 4.340 0.021 0.000 0.263 23 Q C -1.248 174.792 176.000 0.066 0.000 1.026 23 Q CA -0.103 55.709 55.803 0.014 0.000 0.912 23 Q CB 0.406 29.152 28.738 0.013 0.000 1.198 23 Q HN 0.462 nan 8.270 nan 0.000 0.407 24 W N 8.190 129.444 121.300 -0.077 0.000 2.417 24 W HA 0.098 4.771 4.660 0.021 0.000 0.332 24 W C -2.125 174.390 176.519 -0.006 0.000 1.413 24 W CA -1.732 55.623 57.345 0.016 0.000 1.299 24 W CB 0.295 29.857 29.460 0.169 0.000 1.304 24 W HN 0.597 nan 8.180 nan 0.000 0.565 25 P HA 0.109 nan 4.420 nan 0.000 0.268 25 P C -0.695 176.706 177.300 0.168 0.000 1.204 25 P CA 0.446 63.654 63.100 0.179 0.000 0.768 25 P CB 1.195 32.977 31.700 0.136 0.000 0.842 26 L N 1.566 122.832 121.223 0.072 0.000 2.256 26 L HA 0.543 4.895 4.340 0.021 0.000 0.261 26 L C 1.192 178.061 176.870 -0.001 0.000 1.022 26 L CA -0.890 53.961 54.840 0.018 0.000 0.828 26 L CB 1.619 43.651 42.059 -0.045 0.000 1.374 26 L HN 0.350 nan 8.230 nan 0.000 0.436 27 T N -3.783 110.753 114.554 -0.030 0.000 2.882 27 T HA 0.084 4.446 4.350 0.021 0.000 0.287 27 T C 0.793 175.469 174.700 -0.039 0.000 1.014 27 T CA -0.467 61.621 62.100 -0.020 0.000 1.049 27 T CB 1.292 70.154 68.868 -0.009 0.000 1.001 27 T HN 0.783 nan 8.240 nan 0.000 0.525 28 E N 0.426 120.618 120.200 -0.014 0.000 2.209 28 E HA -0.246 4.117 4.350 0.021 0.000 0.196 28 E C 1.679 178.265 176.600 -0.024 0.000 0.993 28 E CA 1.304 57.695 56.400 -0.015 0.000 0.819 28 E CB -0.010 29.692 29.700 0.003 0.000 0.745 28 E HN 0.904 nan 8.360 nan 0.000 0.477 29 E N 0.294 120.485 120.200 -0.015 0.000 2.208 29 E HA -0.145 4.218 4.350 0.021 0.000 0.193 29 E C 1.688 178.214 176.600 -0.123 0.000 0.988 29 E CA 0.759 57.164 56.400 0.009 0.000 0.828 29 E CB 0.220 29.979 29.700 0.098 0.000 0.763 29 E HN 0.191 nan 8.360 nan 0.000 0.478 30 K N -0.052 120.195 120.400 -0.255 0.000 2.202 30 K HA 0.080 4.412 4.320 0.021 0.000 0.201 30 K C 2.175 178.582 176.600 -0.322 0.000 1.051 30 K CA 0.465 56.435 56.287 -0.529 0.000 0.977 30 K CB 0.145 32.309 32.500 -0.560 0.000 0.792 30 K HN 0.125 nan 8.250 nan 0.000 0.469 31 I N 1.763 122.230 120.570 -0.172 0.000 2.208 31 I HA -0.312 3.870 4.170 0.021 0.000 0.245 31 I C 2.169 178.243 176.117 -0.073 0.000 1.097 31 I CA 1.433 62.675 61.300 -0.096 0.000 1.363 31 I CB -0.267 37.704 38.000 -0.049 0.000 1.051 31 I HN 0.104 nan 8.210 nan 0.000 0.413 32 K N 0.919 121.280 120.400 -0.065 0.000 2.063 32 K HA -0.177 4.155 4.320 0.021 0.000 0.208 32 K C 2.304 178.890 176.600 -0.024 0.000 1.048 32 K CA 1.624 57.896 56.287 -0.025 0.000 0.928 32 K CB -0.283 32.217 32.500 -0.001 0.000 0.713 32 K HN 0.348 nan 8.250 nan 0.000 0.442 33 A N 1.280 124.055 122.820 -0.076 0.000 1.933 33 A HA -0.124 4.208 4.320 0.021 0.000 0.218 33 A C 2.105 179.666 177.584 -0.038 0.000 1.175 33 A CA 1.202 53.215 52.037 -0.041 0.000 0.628 33 A CB -0.526 18.382 19.000 -0.153 0.000 0.814 33 A HN 0.142 nan 8.150 nan 0.000 0.444 34 L N -0.747 120.426 121.223 -0.083 0.000 2.005 34 L HA -0.144 4.209 4.340 0.021 0.000 0.207 34 L C 2.532 179.416 176.870 0.024 0.000 1.072 34 L CA 1.122 55.940 54.840 -0.036 0.000 0.744 34 L CB -0.825 41.209 42.059 -0.042 0.000 0.895 34 L HN 0.218 nan 8.230 nan 0.000 0.433 35 V N 0.206 120.144 119.914 0.039 0.000 2.277 35 V HA -0.400 3.733 4.120 0.021 0.000 0.253 35 V C 2.512 178.642 176.094 0.059 0.000 1.067 35 V CA 2.332 64.679 62.300 0.078 0.000 1.047 35 V CB -0.549 31.304 31.823 0.049 0.000 0.649 35 V HN 0.514 nan 8.190 nan 0.000 0.447 36 E N -0.227 119.992 120.200 0.032 0.000 2.007 36 E HA -0.206 4.156 4.350 0.021 0.000 0.194 36 E C 2.222 178.823 176.600 0.003 0.000 0.999 36 E CA 1.783 58.197 56.400 0.023 0.000 0.811 36 E CB -0.208 29.509 29.700 0.029 0.000 0.762 36 E HN 0.584 nan 8.360 nan 0.000 0.450 37 I N 0.815 121.382 120.570 -0.005 0.000 2.236 37 I HA -0.386 3.797 4.170 0.021 0.000 0.249 37 I C 2.496 178.562 176.117 -0.085 0.000 1.102 37 I CA 0.883 62.160 61.300 -0.038 0.000 1.365 37 I CB -0.329 37.651 38.000 -0.034 0.000 1.051 37 I HN 0.380 nan 8.210 nan 0.000 0.420 38 C N 0.022 119.278 119.300 -0.072 0.000 2.450 38 C HA -0.082 4.390 4.460 0.021 0.000 0.279 38 C C 2.931 177.811 174.990 -0.184 0.000 1.335 38 C CA 1.134 60.043 59.018 -0.182 0.000 1.749 38 C CB -1.026 26.649 27.740 -0.108 0.000 1.963 38 C HN 0.510 nan 8.230 nan 0.000 0.501 39 T N 0.737 115.268 114.554 -0.040 0.000 2.904 39 T HA -0.152 4.211 4.350 0.021 0.000 0.267 39 T C 1.709 176.383 174.700 -0.043 0.000 1.059 39 T CA 1.683 63.782 62.100 -0.002 0.000 1.137 39 T CB -0.222 68.666 68.868 0.034 0.000 0.879 39 T HN 0.631 nan 8.240 nan 0.000 0.467 40 E N 1.467 121.631 120.200 -0.060 0.000 2.072 40 E HA -0.041 4.321 4.350 0.021 0.000 0.191 40 E C 2.084 178.624 176.600 -0.100 0.000 0.985 40 E CA 1.282 57.642 56.400 -0.066 0.000 0.801 40 E CB -0.362 29.299 29.700 -0.065 0.000 0.750 40 E HN 0.453 nan 8.360 nan 0.000 0.452 41 M N 0.099 119.607 119.600 -0.154 0.000 2.099 41 M HA -0.105 4.387 4.480 0.021 0.000 0.262 41 M C 2.423 178.631 176.300 -0.154 0.000 1.067 41 M CA 1.847 57.034 55.300 -0.189 0.000 1.124 41 M CB -0.356 32.079 32.600 -0.275 0.000 1.353 41 M HN 0.207 nan 8.290 nan 0.000 0.410 42 E N 1.594 121.690 120.200 -0.174 0.000 2.086 42 E HA -0.304 4.058 4.350 0.021 0.000 0.200 42 E C 1.840 178.414 176.600 -0.043 0.000 1.012 42 E CA 2.294 58.633 56.400 -0.102 0.000 0.812 42 E CB -0.116 29.562 29.700 -0.036 0.000 0.743 42 E HN 0.569 nan 8.360 nan 0.000 0.453 43 K N 0.096 120.473 120.400 -0.037 0.000 2.148 43 K HA -0.153 4.180 4.320 0.021 0.000 0.204 43 K C 1.647 178.234 176.600 -0.022 0.000 1.050 43 K CA 1.676 57.952 56.287 -0.019 0.000 0.942 43 K CB -0.110 32.381 32.500 -0.015 0.000 0.724 43 K HN 0.177 nan 8.250 nan 0.000 0.446 44 E N 0.250 120.427 120.200 -0.039 0.000 2.478 44 E HA -0.020 4.343 4.350 0.021 0.000 0.198 44 E C 0.834 177.427 176.600 -0.012 0.000 1.046 44 E CA 0.438 56.821 56.400 -0.029 0.000 0.870 44 E CB 0.016 29.686 29.700 -0.050 0.000 0.818 44 E HN 0.698 nan 8.360 nan 0.000 0.527 45 G N 1.602 110.392 108.800 -0.016 0.000 2.176 45 G HA2 -0.353 3.619 3.960 0.021 0.000 0.253 45 G HA3 -0.353 3.619 3.960 0.021 0.000 0.253 45 G C 0.917 175.823 174.900 0.010 0.000 0.979 45 G CA 0.634 45.736 45.100 0.003 0.000 0.641 45 G HN 0.250 nan 8.290 nan 0.000 0.530 46 K N -0.113 120.281 120.400 -0.011 0.000 2.097 46 K HA 0.177 4.509 4.320 0.021 0.000 0.205 46 K C 1.488 178.057 176.600 -0.052 0.000 1.050 46 K CA 1.485 57.779 56.287 0.012 0.000 0.938 46 K CB 0.017 32.513 32.500 -0.007 0.000 0.718 46 K HN 0.804 nan 8.250 nan 0.000 0.442 47 I N -3.024 117.472 120.570 -0.123 0.000 2.785 47 I HA 0.381 4.563 4.170 0.021 0.000 0.302 47 I C -0.934 175.165 176.117 -0.031 0.000 1.069 47 I CA -0.946 60.272 61.300 -0.137 0.000 1.045 47 I CB 2.455 40.257 38.000 -0.330 0.000 1.236 47 I HN -0.325 nan 8.210 nan 0.000 0.429 48 S N 2.716 118.454 115.700 0.063 0.000 2.502 48 S HA 0.376 4.859 4.470 0.021 0.000 0.304 48 S C -0.512 174.216 174.600 0.214 0.000 1.097 48 S CA -0.715 57.553 58.200 0.113 0.000 1.045 48 S CB 1.595 64.829 63.200 0.056 0.000 1.019 48 S HN 0.577 nan 8.310 nan 0.000 0.481 49 K N 3.203 123.721 120.400 0.197 0.000 2.412 49 K HA 0.320 4.653 4.320 0.021 0.000 0.281 49 K C -0.153 176.394 176.600 -0.088 0.000 1.027 49 K CA 0.068 56.337 56.287 -0.030 0.000 0.989 49 K CB 0.117 32.580 32.500 -0.062 0.000 0.935 49 K HN 0.658 nan 8.250 nan 0.000 0.475 50 I N -0.309 120.155 120.570 -0.177 0.000 3.239 50 I HA 0.654 4.837 4.170 0.021 0.000 0.314 50 I C 0.196 176.226 176.117 -0.144 0.000 1.126 50 I CA -1.134 60.090 61.300 -0.128 0.000 0.973 50 I CB 1.920 39.858 38.000 -0.104 0.000 1.252 50 I HN 0.575 nan 8.210 nan 0.000 0.463 51 G N 0.732 109.468 108.800 -0.108 0.000 2.543 51 G HA2 0.550 4.522 3.960 0.021 0.000 0.267 51 G HA3 0.550 4.522 3.960 0.021 0.000 0.267 51 G C -2.206 172.632 174.900 -0.102 0.000 1.406 51 G CA -1.063 43.976 45.100 -0.102 0.000 1.048 51 G HN 0.547 nan 8.290 nan 0.000 0.548 52 P HA 0.062 nan 4.420 nan 0.000 0.231 52 P C 1.514 178.757 177.300 -0.096 0.000 1.168 52 P CA 0.257 63.303 63.100 -0.090 0.000 0.779 52 P CB 0.362 32.016 31.700 -0.076 0.000 0.844 53 E N 0.742 120.889 120.200 -0.088 0.000 2.108 53 E HA -0.210 4.152 4.350 0.021 0.000 0.203 53 E C 0.743 177.268 176.600 -0.124 0.000 1.022 53 E CA 1.017 57.362 56.400 -0.090 0.000 0.823 53 E CB -1.025 28.631 29.700 -0.072 0.000 0.744 53 E HN 0.169 nan 8.360 nan 0.000 0.456 54 N N 1.135 119.762 118.700 -0.122 0.000 2.438 54 N HA -0.024 4.729 4.740 0.021 0.000 0.267 54 N C -1.821 173.546 175.510 -0.237 0.000 1.222 54 N CA -0.747 52.211 53.050 -0.153 0.000 0.930 54 N CB 1.089 39.532 38.487 -0.073 0.000 1.083 54 N HN 0.065 nan 8.380 nan 0.000 0.476 55 P HA 0.042 nan 4.420 nan 0.000 0.251 55 P C -0.603 176.423 177.300 -0.455 0.000 1.223 55 P CA 0.400 63.205 63.100 -0.492 0.000 0.796 55 P CB 0.207 31.539 31.700 -0.614 0.000 1.068 56 Y N 0.469 120.759 120.300 -0.017 0.000 2.403 56 Y HA 0.599 5.162 4.550 0.021 0.000 0.323 56 Y C 1.044 176.959 175.900 0.024 0.000 1.226 56 Y CA -0.774 57.339 58.100 0.021 0.000 1.235 56 Y CB 0.685 39.161 38.460 0.028 0.000 1.248 56 Y HN -0.127 nan 8.280 nan 0.000 0.489 57 N N -0.634 118.205 118.700 0.230 0.000 2.928 57 N HA 0.212 4.964 4.740 0.021 0.000 0.247 57 N C -2.025 173.588 175.510 0.172 0.000 1.141 57 N CA -0.266 52.884 53.050 0.166 0.000 0.977 57 N CB 1.975 40.516 38.487 0.090 0.000 1.663 57 N HN 0.674 nan 8.380 nan 0.000 0.509 58 T N 2.889 117.549 114.554 0.178 0.000 2.876 58 T HA 0.538 4.901 4.350 0.021 0.000 0.289 58 T C -2.709 172.000 174.700 0.015 0.000 1.014 58 T CA -0.980 61.176 62.100 0.093 0.000 0.986 58 T CB 2.175 71.059 68.868 0.027 0.000 1.021 58 T HN 0.346 nan 8.240 nan 0.000 0.458 59 P HA 0.222 nan 4.420 nan 0.000 0.271 59 P C -0.639 176.366 177.300 -0.492 0.000 1.220 59 P CA -0.227 62.728 63.100 -0.241 0.000 0.768 59 P CB 0.996 32.604 31.700 -0.154 0.000 0.848 60 V N 5.098 124.689 119.914 -0.539 0.000 2.667 60 V HA 0.609 4.741 4.120 0.021 0.000 0.308 60 V C -0.843 174.811 176.094 -0.733 0.000 1.048 60 V CA -0.482 61.508 62.300 -0.516 0.000 0.928 60 V CB 0.897 32.544 31.823 -0.293 0.000 1.004 60 V HN 0.338 nan 8.190 nan 0.000 0.444 61 F N 3.127 123.013 119.950 -0.107 0.000 2.782 61 F HA 0.919 5.458 4.527 0.021 0.000 0.366 61 F C 0.288 176.000 175.800 -0.147 0.000 1.171 61 F CA -0.371 57.550 58.000 -0.132 0.000 1.064 61 F CB 1.775 40.689 39.000 -0.143 0.000 1.449 61 F HN 0.643 nan 8.300 nan 0.000 0.520 62 A N 1.149 124.012 122.820 0.072 0.000 2.414 62 A HA 0.786 5.119 4.320 0.021 0.000 0.286 62 A C -1.292 176.422 177.584 0.215 0.000 1.073 62 A CA -0.372 51.619 52.037 -0.076 0.000 0.727 62 A CB 0.654 19.282 19.000 -0.620 0.000 1.215 62 A HN 0.692 nan 8.150 nan 0.000 0.430 63 I N 0.041 120.876 120.570 0.440 0.000 3.457 63 I HA 0.948 5.131 4.170 0.021 0.000 0.307 63 I C -0.517 175.834 176.117 0.391 0.000 1.138 63 I CA -0.942 60.617 61.300 0.433 0.000 0.974 63 I CB 1.986 40.087 38.000 0.169 0.000 1.324 63 I HN 0.752 nan 8.210 nan 0.000 0.485 71 W N 0.775 122.073 121.300 -0.003 0.000 2.415 71 W HA 0.553 5.226 4.660 0.021 0.000 0.355 71 W C -0.090 176.425 176.519 -0.007 0.000 1.161 71 W CA -0.536 56.807 57.345 -0.003 0.000 1.315 71 W CB 1.412 30.872 29.460 -0.000 0.000 1.261 71 W HN 0.332 nan 8.180 nan 0.000 0.636 72 R N 1.569 122.262 120.500 0.323 0.000 2.621 72 R HA 0.344 4.696 4.340 0.021 0.000 0.284 72 R C -0.853 175.538 176.300 0.152 0.000 0.998 72 R CA -1.279 54.921 56.100 0.167 0.000 0.895 72 R CB 1.906 32.275 30.300 0.114 0.000 1.195 72 R HN 0.423 nan 8.270 nan 0.000 0.450 73 K N 3.123 123.569 120.400 0.075 0.000 2.144 73 K HA 0.458 4.791 4.320 0.021 0.000 0.270 73 K C -0.861 175.768 176.600 0.047 0.000 1.005 73 K CA -0.581 55.724 56.287 0.030 0.000 0.932 73 K CB 1.299 33.775 32.500 -0.041 0.000 1.021 73 K HN 0.554 nan 8.250 nan 0.000 0.462 74 L N 3.667 124.918 121.223 0.047 0.000 2.439 74 L HA 0.383 4.735 4.340 0.021 0.000 0.270 74 L C -1.573 175.309 176.870 0.021 0.000 0.972 74 L CA -1.058 53.828 54.840 0.077 0.000 0.836 74 L CB 2.012 44.152 42.059 0.134 0.000 1.255 74 L HN 0.585 nan 8.230 nan 0.000 0.404 75 V N 2.946 122.810 119.914 -0.083 0.000 2.427 75 V HA 0.293 4.426 4.120 0.021 0.000 0.286 75 V C -0.453 175.471 176.094 -0.284 0.000 1.034 75 V CA -0.560 61.546 62.300 -0.324 0.000 0.893 75 V CB 1.639 33.097 31.823 -0.608 0.000 0.982 75 V HN 0.605 nan 8.190 nan 0.000 0.452 76 D N 3.164 123.443 120.400 -0.200 0.000 2.456 76 D HA 0.333 4.986 4.640 0.021 0.000 0.219 76 D C 0.330 176.588 176.300 -0.069 0.000 1.126 76 D CA -0.146 53.853 54.000 -0.001 0.000 0.890 76 D CB 0.422 41.384 40.800 0.270 0.000 1.025 76 D HN 0.450 nan 8.370 nan 0.000 0.511 77 F N 1.724 121.771 119.950 0.161 0.000 2.797 77 F HA 0.158 4.698 4.527 0.021 0.000 0.302 77 F C 2.173 178.090 175.800 0.195 0.000 1.130 77 F CA -0.334 57.782 58.000 0.193 0.000 1.387 77 F CB 0.230 39.384 39.000 0.257 0.000 1.107 77 F HN 0.183 nan 8.300 nan 0.000 0.577 78 R N 0.422 121.098 120.500 0.293 0.000 2.165 78 R HA -0.289 4.063 4.340 0.021 0.000 0.254 78 R C 1.970 178.396 176.300 0.210 0.000 1.153 78 R CA 2.083 58.312 56.100 0.215 0.000 0.971 78 R CB -0.434 29.964 30.300 0.164 0.000 0.878 78 R HN 0.227 nan 8.270 nan 0.000 0.449 79 E N 0.805 121.138 120.200 0.222 0.000 2.047 79 E HA -0.143 4.220 4.350 0.021 0.000 0.191 79 E C 1.771 178.510 176.600 0.232 0.000 0.987 79 E CA 0.828 57.346 56.400 0.197 0.000 0.799 79 E CB -0.251 29.557 29.700 0.180 0.000 0.752 79 E HN 0.142 nan 8.360 nan 0.000 0.449 80 L N 1.160 122.580 121.223 0.328 0.000 2.042 80 L HA -0.174 4.178 4.340 0.021 0.000 0.210 80 L C 1.504 178.604 176.870 0.383 0.000 1.076 80 L CA 1.896 56.959 54.840 0.371 0.000 0.749 80 L CB -0.869 41.492 42.059 0.503 0.000 0.893 80 L HN 0.133 nan 8.230 nan 0.000 0.432 81 N N 0.028 118.945 118.700 0.363 0.000 2.205 81 N HA -0.193 4.560 4.740 0.021 0.000 0.186 81 N C 1.703 177.297 175.510 0.140 0.000 1.015 81 N CA 1.321 54.497 53.050 0.210 0.000 0.862 81 N CB -0.271 38.293 38.487 0.128 0.000 0.986 81 N HN 0.487 nan 8.380 nan 0.000 0.429 82 K N 0.574 121.060 120.400 0.144 0.000 2.148 82 K HA 0.039 4.371 4.320 0.021 0.000 0.204 82 K C 1.308 177.962 176.600 0.089 0.000 1.050 82 K CA 0.780 57.125 56.287 0.097 0.000 0.942 82 K CB 0.100 32.657 32.500 0.094 0.000 0.724 82 K HN 0.268 nan 8.250 nan 0.000 0.446 83 R N 0.256 120.829 120.500 0.121 0.000 2.393 83 R HA 0.121 4.473 4.340 0.021 0.000 0.244 83 R C 0.063 176.432 176.300 0.115 0.000 0.920 83 R CA 0.134 56.288 56.100 0.090 0.000 1.076 83 R CB 0.566 30.906 30.300 0.067 0.000 1.119 83 R HN -0.079 nan 8.270 nan 0.000 0.524 84 T N 2.648 117.309 114.554 0.179 0.000 2.875 84 T HA 0.106 4.468 4.350 0.021 0.000 0.284 84 T C 0.189 174.903 174.700 0.024 0.000 0.995 84 T CA -0.615 61.614 62.100 0.215 0.000 1.060 84 T CB 1.606 70.723 68.868 0.415 0.000 0.967 84 T HN 0.237 nan 8.240 nan 0.000 0.476 85 Q N 2.622 122.361 119.800 -0.101 0.000 2.616 85 Q HA 0.075 4.428 4.340 0.021 0.000 0.269 85 Q C -0.590 175.149 176.000 -0.434 0.000 1.148 85 Q CA 0.045 55.680 55.803 -0.281 0.000 1.003 85 Q CB 0.450 28.943 28.738 -0.410 0.000 1.322 85 Q HN 0.482 nan 8.270 nan 0.000 0.518 86 D N -0.060 120.106 120.400 -0.390 0.000 2.294 86 D HA 0.376 5.029 4.640 0.021 0.000 0.250 86 D C -0.796 175.186 176.300 -0.530 0.000 1.058 86 D CA -0.063 53.763 54.000 -0.291 0.000 0.950 86 D CB 0.644 41.376 40.800 -0.114 0.000 1.158 86 D HN 0.334 nan 8.370 nan 0.000 0.453 87 F N -0.460 119.452 119.950 -0.063 0.000 2.654 87 F HA 0.271 4.810 4.527 0.021 0.000 0.334 87 F C 0.126 175.976 175.800 0.084 0.000 1.078 87 F CA -1.165 56.827 58.000 -0.013 0.000 0.986 87 F CB 0.974 39.917 39.000 -0.096 0.000 1.362 87 F HN 0.279 nan 8.300 nan 0.000 0.498 88 W N 4.292 125.652 121.300 0.101 0.000 2.381 88 W HA 0.078 4.750 4.660 0.021 0.000 0.321 88 W C 0.043 176.564 176.519 0.004 0.000 1.407 88 W CA -0.696 56.661 57.345 0.021 0.000 1.274 88 W CB 0.650 30.112 29.460 0.003 0.000 1.310 88 W HN 0.530 nan 8.180 nan 0.000 0.551 89 E N 3.849 123.652 120.200 -0.661 0.000 2.820 89 E HA -0.115 4.248 4.350 0.021 0.000 0.251 89 E C 0.316 176.631 176.600 -0.476 0.000 0.944 89 E CA 0.048 56.119 56.400 -0.548 0.000 0.955 89 E CB -0.084 29.243 29.700 -0.621 0.000 0.904 89 E HN 0.386 nan 8.360 nan 0.000 0.513 90 V N 1.649 121.386 119.914 -0.296 0.000 2.416 90 V HA -0.068 4.065 4.120 0.021 0.000 0.260 90 V C 0.779 176.720 176.094 -0.255 0.000 1.018 90 V CA -0.071 62.078 62.300 -0.252 0.000 1.120 90 V CB -0.730 30.947 31.823 -0.244 0.000 1.081 90 V HN 0.860 nan 8.190 nan 0.000 0.474 91 Q N 2.730 122.387 119.800 -0.237 0.000 2.655 91 Q HA -0.213 4.139 4.340 0.021 0.000 0.153 91 Q C 0.347 176.235 176.000 -0.186 0.000 1.393 91 Q CA 0.588 56.276 55.803 -0.190 0.000 0.622 91 Q CB -0.144 28.504 28.738 -0.150 0.000 0.750 91 Q HN 0.973 nan 8.270 nan 0.000 0.315 92 L N 2.614 123.724 121.223 -0.189 0.000 2.209 92 L HA 0.100 4.452 4.340 0.021 0.000 0.207 92 L C 1.357 178.170 176.870 -0.095 0.000 1.094 92 L CA 0.789 55.537 54.840 -0.153 0.000 0.790 92 L CB 0.025 41.983 42.059 -0.169 0.000 0.932 92 L HN 0.644 nan 8.230 nan 0.000 0.447 93 G N 0.584 109.338 108.800 -0.076 0.000 2.390 93 G HA2 0.399 4.371 3.960 0.021 0.000 0.270 93 G HA3 0.399 4.371 3.960 0.021 0.000 0.270 93 G C -0.610 174.298 174.900 0.013 0.000 1.211 93 G CA -0.356 44.722 45.100 -0.036 0.000 0.842 93 G HN 0.112 nan 8.290 nan 0.000 0.519 94 I N 2.234 122.835 120.570 0.051 0.000 2.428 94 I HA 0.509 4.692 4.170 0.021 0.000 0.296 94 I C -2.098 174.096 176.117 0.129 0.000 0.985 94 I CA -2.419 58.977 61.300 0.160 0.000 1.260 94 I CB 2.026 40.115 38.000 0.149 0.000 1.389 94 I HN 0.218 nan 8.210 nan 0.000 0.484 95 P HA 0.111 nan 4.420 nan 0.000 0.267 95 P C -1.222 176.147 177.300 0.116 0.000 1.209 95 P CA 0.264 63.409 63.100 0.074 0.000 0.763 95 P CB 0.156 31.844 31.700 -0.021 0.000 0.816 96 H N 4.968 123.981 119.070 -0.096 0.000 2.488 96 H HA 0.204 4.772 4.556 0.021 0.000 0.322 96 H C -1.754 173.443 175.328 -0.218 0.000 1.078 96 H CA -2.279 53.673 56.048 -0.159 0.000 1.260 96 H CB 1.487 31.098 29.762 -0.253 0.000 1.425 96 H HN 0.218 nan 8.280 nan 0.000 0.471 97 P HA -0.195 nan 4.420 nan 0.000 0.218 97 P C 1.041 178.413 177.300 0.120 0.000 1.150 97 P CA 2.125 65.153 63.100 -0.119 0.000 0.841 97 P CB 0.145 31.588 31.700 -0.429 0.000 0.784 98 A N -0.736 122.230 122.820 0.243 0.000 2.121 98 A HA 0.025 4.357 4.320 0.021 0.000 0.218 98 A C 2.067 179.785 177.584 0.222 0.000 1.154 98 A CA 1.601 53.773 52.037 0.225 0.000 0.679 98 A CB -1.342 17.672 19.000 0.024 0.000 0.795 98 A HN 0.319 nan 8.150 nan 0.000 0.458 99 G N -0.803 107.951 108.800 -0.077 0.000 3.434 99 G HA2 0.452 4.424 3.960 0.021 0.000 0.258 99 G HA3 0.452 4.424 3.960 0.021 0.000 0.258 99 G C 0.078 175.040 174.900 0.104 0.000 1.128 99 G CA -0.340 44.620 45.100 -0.234 0.000 0.792 99 G HN 0.328 nan 8.290 nan 0.000 0.539 100 L N 1.021 122.393 121.223 0.248 0.000 2.272 100 L HA 0.387 4.740 4.340 0.021 0.000 0.289 100 L C 0.254 177.304 176.870 0.300 0.000 1.032 100 L CA -0.752 54.217 54.840 0.215 0.000 0.810 100 L CB 1.689 43.749 42.059 0.002 0.000 1.205 100 L HN -0.044 nan 8.230 nan 0.000 0.422 101 K N 2.591 123.157 120.400 0.276 0.000 2.355 101 K HA 0.098 4.430 4.320 0.021 0.000 0.270 101 K C -0.009 176.620 176.600 0.048 0.000 1.003 101 K CA -0.205 56.211 56.287 0.214 0.000 0.957 101 K CB 0.821 33.416 32.500 0.157 0.000 0.939 101 K HN 0.384 nan 8.250 nan 0.000 0.482 102 K N 3.196 123.633 120.400 0.061 0.000 2.349 102 K HA 0.030 4.362 4.320 0.021 0.000 0.289 102 K C -0.520 176.052 176.600 -0.046 0.000 1.064 102 K CA -0.085 56.198 56.287 -0.008 0.000 0.947 102 K CB 0.361 32.942 32.500 0.135 0.000 1.007 102 K HN 0.478 nan 8.250 nan 0.000 0.478 103 N N 3.496 122.127 118.700 -0.115 0.000 2.466 103 N HA 0.109 4.862 4.740 0.021 0.000 0.294 103 N C 0.216 175.669 175.510 -0.095 0.000 1.129 103 N CA -0.462 52.526 53.050 -0.104 0.000 0.931 103 N CB 1.535 39.933 38.487 -0.149 0.000 1.193 103 N HN 0.491 nan 8.380 nan 0.000 0.500 104 K N 0.087 120.430 120.400 -0.096 0.000 2.296 104 K HA 0.073 4.405 4.320 0.021 0.000 0.200 104 K C -0.107 176.406 176.600 -0.145 0.000 1.048 104 K CA 0.733 56.967 56.287 -0.087 0.000 0.966 104 K CB 0.245 32.704 32.500 -0.068 0.000 0.754 104 K HN 0.379 nan 8.250 nan 0.000 0.466 105 S N -0.011 115.524 115.700 -0.274 0.000 2.533 105 S HA 0.424 4.906 4.470 0.021 0.000 0.271 105 S C -1.096 173.253 174.600 -0.418 0.000 1.143 105 S CA -0.945 57.007 58.200 -0.413 0.000 0.891 105 S CB 2.638 65.381 63.200 -0.761 0.000 1.105 105 S HN -0.161 nan 8.310 nan 0.000 0.468 106 V N 1.846 121.693 119.914 -0.110 0.000 2.841 106 V HA 0.769 4.902 4.120 0.021 0.000 0.310 106 V C -0.763 175.444 176.094 0.188 0.000 1.090 106 V CA -0.521 61.810 62.300 0.052 0.000 0.930 106 V CB 2.500 34.319 31.823 -0.007 0.000 1.014 106 V HN 0.993 nan 8.190 nan 0.000 0.425 107 T N 2.647 117.284 114.554 0.138 0.000 2.921 107 T HA 0.538 4.900 4.350 0.021 0.000 0.297 107 T C -0.706 173.921 174.700 -0.122 0.000 1.013 107 T CA -0.495 61.644 62.100 0.065 0.000 0.990 107 T CB 1.762 70.671 68.868 0.069 0.000 1.023 107 T HN 0.353 nan 8.240 nan 0.000 0.447 108 V N 4.205 124.009 119.914 -0.183 0.000 2.383 108 V HA 0.428 4.561 4.120 0.021 0.000 0.275 108 V C -0.675 175.277 176.094 -0.238 0.000 1.036 108 V CA -0.746 61.321 62.300 -0.387 0.000 0.889 108 V CB 0.827 32.390 31.823 -0.433 0.000 0.985 108 V HN 0.622 nan 8.190 nan 0.000 0.459 109 L N 4.259 125.314 121.223 -0.280 0.000 2.318 109 L HA 0.415 4.767 4.340 0.021 0.000 0.277 109 L C 0.086 176.894 176.870 -0.104 0.000 1.008 109 L CA -0.188 54.571 54.840 -0.134 0.000 0.846 109 L CB 1.183 43.183 42.059 -0.097 0.000 1.220 109 L HN 0.586 nan 8.230 nan 0.000 0.423 110 D N 2.586 122.966 120.400 -0.034 0.000 2.441 110 D HA 0.027 4.679 4.640 0.021 0.000 0.243 110 D C 0.643 176.992 176.300 0.082 0.000 1.257 110 D CA -0.133 53.882 54.000 0.024 0.000 1.027 110 D CB 0.616 41.443 40.800 0.046 0.000 1.084 110 D HN 0.283 nan 8.370 nan 0.000 0.514 111 V N 2.855 122.843 119.914 0.123 0.000 2.670 111 V HA 0.357 4.490 4.120 0.021 0.000 0.344 111 V C 1.609 177.888 176.094 0.308 0.000 1.648 111 V CA -0.119 62.296 62.300 0.192 0.000 1.673 111 V CB -0.498 31.477 31.823 0.252 0.000 1.382 111 V HN 0.354 nan 8.190 nan 0.000 0.503 112 G N 3.562 112.498 108.800 0.228 0.000 2.950 112 G HA2 -0.311 3.661 3.960 0.021 0.000 0.190 112 G HA3 -0.311 3.661 3.960 0.021 0.000 0.190 112 G C 0.604 175.734 174.900 0.385 0.000 1.458 112 G CA 0.926 46.189 45.100 0.270 0.000 0.800 112 G HN 0.925 nan 8.290 nan 0.000 0.685 113 D N 0.875 121.448 120.400 0.288 0.000 2.801 113 D HA 0.365 5.018 4.640 0.021 0.000 0.249 113 D C 1.323 177.795 176.300 0.285 0.000 1.273 113 D CA 0.679 54.904 54.000 0.375 0.000 0.953 113 D CB -0.179 40.819 40.800 0.330 0.000 1.134 113 D HN 0.329 nan 8.370 nan 0.000 0.449 114 A N -0.584 122.338 122.820 0.169 0.000 2.208 114 A HA -0.009 4.323 4.320 0.021 0.000 0.209 114 A C 1.212 178.532 177.584 -0.439 0.000 1.161 114 A CA 0.129 52.008 52.037 -0.264 0.000 0.782 114 A CB -0.585 18.022 19.000 -0.655 0.000 0.816 114 A HN 0.357 nan 8.150 nan 0.000 0.477 115 Y N -1.088 119.086 120.300 -0.210 0.000 2.133 115 Y HA -0.139 4.424 4.550 0.021 0.000 0.287 115 Y C 1.812 177.598 175.900 -0.189 0.000 1.134 115 Y CA 1.936 59.932 58.100 -0.174 0.000 1.133 115 Y CB -0.639 37.721 38.460 -0.168 0.000 0.987 115 Y HN 0.371 nan 8.280 nan 0.000 0.502 116 F N -0.732 119.351 119.950 0.221 0.000 2.546 116 F HA -0.125 4.415 4.527 0.021 0.000 0.298 116 F C 2.251 178.091 175.800 0.068 0.000 1.120 116 F CA 0.966 59.058 58.000 0.153 0.000 1.456 116 F CB -0.561 38.519 39.000 0.133 0.000 1.088 116 F HN -0.092 nan 8.300 nan 0.000 0.572 117 S N -0.912 114.870 115.700 0.136 0.000 2.436 117 S HA 0.028 4.510 4.470 0.021 0.000 0.228 117 S C 0.788 175.393 174.600 0.009 0.000 1.014 117 S CA 0.264 58.491 58.200 0.045 0.000 0.950 117 S CB -0.050 63.119 63.200 -0.052 0.000 0.784 117 S HN -0.057 nan 8.310 nan 0.000 0.504 118 V N 4.878 124.771 119.914 -0.035 0.000 2.407 118 V HA 0.310 4.442 4.120 0.021 0.000 0.278 118 V C -2.167 173.951 176.094 0.040 0.000 1.037 118 V CA -2.351 59.935 62.300 -0.023 0.000 0.900 118 V CB 1.174 32.939 31.823 -0.097 0.000 0.983 118 V HN 0.139 nan 8.190 nan 0.000 0.459 119 P HA 0.127 nan 4.420 nan 0.000 0.269 119 P C -0.816 176.527 177.300 0.072 0.000 1.215 119 P CA -0.313 62.831 63.100 0.075 0.000 0.780 119 P CB 1.262 33.005 31.700 0.072 0.000 0.898 120 L N 1.947 123.220 121.223 0.083 0.000 2.309 120 L HA 0.372 4.725 4.340 0.021 0.000 0.282 120 L C -0.019 176.905 176.870 0.090 0.000 1.036 120 L CA -0.592 54.291 54.840 0.072 0.000 0.806 120 L CB 0.606 42.702 42.059 0.061 0.000 1.220 120 L HN 0.229 nan 8.230 nan 0.000 0.429 121 D N 3.222 123.682 120.400 0.099 0.000 2.518 121 D HA -0.088 4.564 4.640 0.021 0.000 0.270 121 D C 1.197 177.585 176.300 0.148 0.000 1.338 121 D CA 0.540 54.613 54.000 0.122 0.000 0.983 121 D CB 0.761 41.641 40.800 0.134 0.000 1.126 121 D HN 0.624 nan 8.370 nan 0.000 0.543 122 E N 3.175 123.439 120.200 0.107 0.000 2.164 122 E HA -0.344 4.018 4.350 0.021 0.000 0.206 122 E C 1.070 177.726 176.600 0.092 0.000 1.032 122 E CA 1.452 57.904 56.400 0.086 0.000 0.832 122 E CB -0.389 29.350 29.700 0.064 0.000 0.742 122 E HN 0.658 nan 8.360 nan 0.000 0.460 123 D N -0.366 120.109 120.400 0.125 0.000 2.158 123 D HA -0.136 4.516 4.640 0.021 0.000 0.197 123 D C 1.627 178.046 176.300 0.198 0.000 0.995 123 D CA 1.033 55.120 54.000 0.145 0.000 0.846 123 D CB -0.203 40.702 40.800 0.174 0.000 0.941 123 D HN 0.190 nan 8.370 nan 0.000 0.456 124 F N 1.456 121.461 119.950 0.092 0.000 2.473 124 F HA 0.076 4.616 4.527 0.021 0.000 0.294 124 F C 2.281 178.097 175.800 0.028 0.000 1.103 124 F CA 0.313 58.409 58.000 0.161 0.000 1.442 124 F CB 0.079 39.135 39.000 0.093 0.000 1.097 124 F HN -0.242 nan 8.300 nan 0.000 0.547 125 R N 0.977 121.504 120.500 0.045 0.000 2.153 125 R HA -0.281 4.071 4.340 0.021 0.000 0.252 125 R C 2.113 178.312 176.300 -0.168 0.000 1.158 125 R CA 2.277 58.358 56.100 -0.032 0.000 0.975 125 R CB -0.748 29.569 30.300 0.028 0.000 0.871 125 R HN 0.405 nan 8.270 nan 0.000 0.450 126 K N -0.262 119.940 120.400 -0.330 0.000 2.152 126 K HA -0.188 4.144 4.320 0.021 0.000 0.206 126 K C 1.356 177.674 176.600 -0.471 0.000 1.048 126 K CA 1.754 57.810 56.287 -0.385 0.000 0.933 126 K CB -0.426 31.798 32.500 -0.460 0.000 0.721 126 K HN 0.254 nan 8.250 nan 0.000 0.447 127 Y N 2.383 122.394 120.300 -0.481 0.000 2.571 127 Y HA -0.059 4.504 4.550 0.021 0.000 0.294 127 Y C 2.330 178.096 175.900 -0.223 0.000 1.141 127 Y CA 1.152 58.898 58.100 -0.591 0.000 1.308 127 Y CB -0.465 37.368 38.460 -1.045 0.000 1.002 127 Y HN 0.320 nan 8.280 nan 0.000 0.551 128 T N -2.593 111.948 114.554 -0.022 0.000 3.107 128 T HA 0.431 4.793 4.350 0.021 0.000 0.249 128 T C 0.935 175.894 174.700 0.432 0.000 1.096 128 T CA 0.037 62.290 62.100 0.256 0.000 1.012 128 T CB -0.513 68.445 68.868 0.150 0.000 0.977 128 T HN 0.199 nan 8.240 nan 0.000 0.527 129 A N 1.854 124.808 122.820 0.224 0.000 2.540 129 A HA 0.510 4.843 4.320 0.021 0.000 0.239 129 A C -0.005 177.713 177.584 0.223 0.000 1.061 129 A CA -0.340 51.774 52.037 0.128 0.000 0.758 129 A CB -0.598 18.434 19.000 0.055 0.000 0.991 129 A HN 0.750 nan 8.150 nan 0.000 0.502 130 F N -0.618 119.427 119.950 0.159 0.000 2.650 130 F HA 0.854 5.394 4.527 0.021 0.000 0.320 130 F C -0.306 175.537 175.800 0.072 0.000 1.091 130 F CA -0.924 57.131 58.000 0.093 0.000 0.962 130 F CB 1.394 40.443 39.000 0.082 0.000 1.363 130 F HN 0.319 nan 8.300 nan 0.000 0.482 131 T N 2.211 116.924 114.554 0.265 0.000 2.881 131 T HA 0.516 4.878 4.350 0.021 0.000 0.290 131 T C -0.609 174.187 174.700 0.159 0.000 1.000 131 T CA -0.421 61.750 62.100 0.118 0.000 0.978 131 T CB 1.360 70.241 68.868 0.021 0.000 0.997 131 T HN 0.573 nan 8.240 nan 0.000 0.443 132 I N 6.320 126.972 120.570 0.137 0.000 2.308 132 I HA 0.220 4.403 4.170 0.021 0.000 0.293 132 I C -1.532 174.603 176.117 0.031 0.000 1.078 132 I CA -2.111 59.253 61.300 0.108 0.000 1.292 132 I CB 0.738 38.825 38.000 0.145 0.000 1.423 132 I HN 0.352 nan 8.210 nan 0.000 0.493 133 P HA -0.073 nan 4.420 nan 0.000 0.277 133 P C -0.116 177.182 177.300 -0.004 0.000 1.269 133 P CA -0.052 63.051 63.100 0.004 0.000 0.840 133 P CB 0.751 32.457 31.700 0.010 0.000 1.156 134 S N -1.808 113.889 115.700 -0.005 0.000 2.715 134 S HA 0.470 4.953 4.470 0.021 0.000 0.307 134 S C 0.231 174.829 174.600 -0.003 0.000 1.119 134 S CA -1.036 57.160 58.200 -0.007 0.000 0.937 134 S CB 0.543 63.736 63.200 -0.011 0.000 1.150 134 S HN 0.404 nan 8.310 nan 0.000 0.521 139 T N -0.678 113.868 114.554 -0.013 0.000 2.936 139 T HA 0.745 5.107 4.350 0.021 0.000 0.282 139 T C -2.474 172.211 174.700 -0.025 0.000 1.003 139 T CA -2.037 60.052 62.100 -0.019 0.000 1.005 139 T CB 1.054 69.911 68.868 -0.018 0.000 1.097 139 T HN -0.155 nan 8.240 nan 0.000 0.532 140 P HA 0.338 nan 4.420 nan 0.000 0.267 140 P C 0.409 177.681 177.300 -0.048 0.000 1.205 140 P CA -0.041 63.034 63.100 -0.042 0.000 0.765 140 P CB 0.181 31.851 31.700 -0.049 0.000 0.828 141 G N 2.500 111.270 108.800 -0.050 0.000 2.563 141 G HA2 0.456 4.428 3.960 0.021 0.000 0.283 141 G HA3 0.456 4.428 3.960 0.021 0.000 0.283 141 G C -0.453 174.391 174.900 -0.094 0.000 1.309 141 G CA -0.800 44.268 45.100 -0.053 0.000 1.022 141 G HN 0.448 nan 8.290 nan 0.000 0.501 142 I N 0.633 121.138 120.570 -0.108 0.000 2.325 142 I HA 0.280 4.462 4.170 0.021 0.000 0.291 142 I C 0.681 176.601 176.117 -0.328 0.000 1.019 142 I CA -0.298 60.867 61.300 -0.225 0.000 1.302 142 I CB 1.082 38.957 38.000 -0.207 0.000 1.401 142 I HN 0.217 nan 8.210 nan 0.000 0.485 143 R N 5.705 125.951 120.500 -0.424 0.000 2.404 143 R HA 0.602 4.954 4.340 0.021 0.000 0.291 143 R C -1.360 174.523 176.300 -0.697 0.000 1.025 143 R CA -0.381 55.458 56.100 -0.435 0.000 0.991 143 R CB 1.441 31.575 30.300 -0.276 0.000 1.053 143 R HN 0.502 nan 8.270 nan 0.000 0.479 144 Y N -0.165 119.812 120.300 -0.540 0.000 2.715 144 Y HA 0.238 4.800 4.550 0.021 0.000 0.331 144 Y C -0.692 174.843 175.900 -0.607 0.000 1.197 144 Y CA -0.923 56.799 58.100 -0.631 0.000 1.079 144 Y CB 2.415 40.329 38.460 -0.911 0.000 1.298 144 Y HN 0.480 nan 8.280 nan 0.000 0.477 145 Q N -0.328 119.410 119.800 -0.103 0.000 2.403 145 Q HA 0.380 4.732 4.340 0.021 0.000 0.267 145 Q C -2.350 173.778 176.000 0.213 0.000 0.991 145 Q CA -0.962 54.891 55.803 0.083 0.000 0.906 145 Q CB 1.274 30.034 28.738 0.036 0.000 1.422 145 Q HN 0.631 nan 8.270 nan 0.000 0.400 146 Y N 2.058 122.486 120.300 0.214 0.000 2.526 146 Y HA 0.122 4.685 4.550 0.021 0.000 0.330 146 Y C 0.938 176.901 175.900 0.105 0.000 1.156 146 Y CA 0.319 58.540 58.100 0.200 0.000 1.419 146 Y CB 0.740 39.326 38.460 0.209 0.000 1.250 146 Y HN 0.721 nan 8.280 nan 0.000 0.540 147 N N 2.174 120.997 118.700 0.204 0.000 2.236 147 N HA 0.078 4.831 4.740 0.021 0.000 0.196 147 N C -0.768 174.838 175.510 0.160 0.000 1.114 147 N CA 0.364 53.500 53.050 0.142 0.000 0.859 147 N CB 0.831 39.371 38.487 0.088 0.000 0.982 147 N HN 0.383 nan 8.380 nan 0.000 0.493 148 V N -2.721 117.340 119.914 0.244 0.000 3.159 148 V HA 0.482 4.615 4.120 0.021 0.000 0.308 148 V C -0.121 176.105 176.094 0.220 0.000 1.190 148 V CA -1.234 61.199 62.300 0.222 0.000 1.037 148 V CB 1.785 33.767 31.823 0.266 0.000 1.060 148 V HN -0.141 nan 8.190 nan 0.000 0.437 149 L N 2.434 123.717 121.223 0.099 0.000 2.667 149 L HA 0.216 4.568 4.340 0.021 0.000 0.278 149 L C -2.167 174.673 176.870 -0.050 0.000 1.217 149 L CA -0.629 54.239 54.840 0.046 0.000 0.935 149 L CB -0.193 41.910 42.059 0.073 0.000 1.193 149 L HN 0.495 nan 8.230 nan 0.000 0.493 150 P HA 0.114 nan 4.420 nan 0.000 0.278 150 P C -0.654 176.530 177.300 -0.192 0.000 1.238 150 P CA -0.584 62.251 63.100 -0.443 0.000 0.794 150 P CB 0.613 31.664 31.700 -1.081 0.000 0.955 151 Q N 1.285 120.992 119.800 -0.154 0.000 2.332 151 Q HA 0.302 4.655 4.340 0.021 0.000 0.263 151 Q C 1.429 177.503 176.000 0.123 0.000 0.979 151 Q CA 1.190 56.931 55.803 -0.103 0.000 0.885 151 Q CB 0.339 29.094 28.738 0.028 0.000 1.218 151 Q HN 0.876 nan 8.270 nan 0.000 0.405 152 G N 2.353 111.205 108.800 0.087 0.000 2.176 152 G HA2 -0.261 3.712 3.960 0.021 0.000 0.253 152 G HA3 -0.261 3.712 3.960 0.021 0.000 0.253 152 G C -0.420 174.644 174.900 0.274 0.000 0.979 152 G CA 0.219 45.433 45.100 0.189 0.000 0.641 152 G HN 0.586 nan 8.290 nan 0.000 0.530 153 W N 1.630 122.894 121.300 -0.059 0.000 2.376 153 W HA 0.665 5.338 4.660 0.021 0.000 0.322 153 W C 1.265 177.705 176.519 -0.133 0.000 1.160 153 W CA -0.699 56.514 57.345 -0.219 0.000 1.218 153 W CB 0.910 30.015 29.460 -0.591 0.000 1.205 153 W HN 0.087 nan 8.180 nan 0.000 0.559 154 K N 2.531 122.357 120.400 -0.956 0.000 2.001 154 K HA -0.223 4.109 4.320 0.021 0.000 0.223 154 K C 1.833 177.770 176.600 -1.105 0.000 1.055 154 K CA 2.568 58.332 56.287 -0.872 0.000 0.965 154 K CB -0.921 31.174 32.500 -0.675 0.000 0.730 154 K HN 0.766 nan 8.250 nan 0.000 0.449 155 G N -0.492 107.104 108.800 -2.007 0.000 2.679 155 G HA2 -0.111 3.862 3.960 0.021 0.000 0.212 155 G HA3 -0.111 3.862 3.960 0.021 0.000 0.212 155 G C 1.251 175.516 174.900 -1.059 0.000 1.137 155 G CA 0.587 44.488 45.100 -1.999 0.000 0.787 155 G HN 0.322 nan 8.290 nan 0.000 0.534 156 S N 1.829 117.194 115.700 -0.557 0.000 2.359 156 S HA -0.116 4.367 4.470 0.021 0.000 0.223 156 S C 0.169 174.658 174.600 -0.186 0.000 1.039 156 S CA 1.615 59.769 58.200 -0.076 0.000 1.042 156 S CB -0.892 62.437 63.200 0.216 0.000 0.915 156 S HN 0.323 nan 8.310 nan 0.000 0.439 157 P HA -0.070 nan 4.420 nan 0.000 0.215 157 P C 1.555 178.656 177.300 -0.331 0.000 1.157 157 P CA 1.582 64.517 63.100 -0.276 0.000 0.868 157 P CB -0.153 31.431 31.700 -0.192 0.000 0.788 158 A N -0.414 122.191 122.820 -0.360 0.000 1.845 158 A HA -0.205 4.128 4.320 0.021 0.000 0.215 158 A C 2.254 179.708 177.584 -0.218 0.000 1.195 158 A CA 1.722 53.579 52.037 -0.300 0.000 0.616 158 A CB -1.703 17.070 19.000 -0.377 0.000 0.832 158 A HN 0.065 nan 8.150 nan 0.000 0.443 159 I N -1.371 119.042 120.570 -0.262 0.000 2.118 159 I HA -0.307 3.875 4.170 0.021 0.000 0.241 159 I C 2.469 178.568 176.117 -0.030 0.000 1.070 159 I CA 2.124 63.352 61.300 -0.121 0.000 1.327 159 I CB -0.621 37.320 38.000 -0.098 0.000 1.034 159 I HN 0.568 nan 8.210 nan 0.000 0.405 160 F N 1.656 121.434 119.950 -0.287 0.000 2.027 160 F HA -0.426 4.114 4.527 0.021 0.000 0.297 160 F C 2.902 178.554 175.800 -0.247 0.000 1.129 160 F CA 2.130 59.936 58.000 -0.323 0.000 1.195 160 F CB -0.305 38.328 39.000 -0.611 0.000 0.960 160 F HN 0.063 nan 8.300 nan 0.000 0.485 161 Q N 0.331 120.148 119.800 0.028 0.000 2.118 161 Q HA -0.328 4.025 4.340 0.021 0.000 0.211 161 Q C 2.310 178.311 176.000 0.001 0.000 0.998 161 Q CA 2.781 58.530 55.803 -0.089 0.000 0.872 161 Q CB -0.509 28.101 28.738 -0.213 0.000 0.925 161 Q HN 0.507 nan 8.270 nan 0.000 0.414 162 S N -0.829 114.865 115.700 -0.009 0.000 2.368 162 S HA -0.167 4.316 4.470 0.021 0.000 0.225 162 S C 1.983 176.571 174.600 -0.020 0.000 1.030 162 S CA 1.614 59.808 58.200 -0.010 0.000 0.999 162 S CB -0.398 62.801 63.200 -0.001 0.000 0.844 162 S HN 0.563 nan 8.310 nan 0.000 0.459 163 S N 1.582 117.275 115.700 -0.012 0.000 2.353 163 S HA -0.182 4.300 4.470 0.021 0.000 0.222 163 S C 1.851 176.390 174.600 -0.101 0.000 1.035 163 S CA 1.837 59.999 58.200 -0.062 0.000 1.025 163 S CB -0.641 62.513 63.200 -0.076 0.000 0.902 163 S HN 0.642 nan 8.310 nan 0.000 0.440 164 M N 2.217 121.809 119.600 -0.014 0.000 2.073 164 M HA -0.171 4.321 4.480 0.021 0.000 0.258 164 M C 2.008 178.252 176.300 -0.093 0.000 1.070 164 M CA 1.950 57.236 55.300 -0.024 0.000 1.103 164 M CB -1.466 31.213 32.600 0.131 0.000 1.321 164 M HN 0.286 nan 8.290 nan 0.000 0.405 165 T N 0.914 115.432 114.554 -0.060 0.000 2.592 165 T HA -0.271 4.091 4.350 0.021 0.000 0.267 165 T C 1.751 176.390 174.700 -0.102 0.000 1.060 165 T CA 2.256 64.313 62.100 -0.071 0.000 1.167 165 T CB -0.508 68.332 68.868 -0.046 0.000 0.863 165 T HN 0.462 nan 8.240 nan 0.000 0.431 166 K N 0.616 120.946 120.400 -0.117 0.000 1.987 166 K HA -0.097 4.235 4.320 0.021 0.000 0.216 166 K C 2.322 178.788 176.600 -0.224 0.000 1.051 166 K CA 1.794 57.998 56.287 -0.139 0.000 0.942 166 K CB -0.597 31.811 32.500 -0.154 0.000 0.722 166 K HN 0.351 nan 8.250 nan 0.000 0.444 167 I N 1.288 121.617 120.570 -0.403 0.000 2.236 167 I HA -0.331 3.852 4.170 0.021 0.000 0.249 167 I C 2.290 178.244 176.117 -0.272 0.000 1.102 167 I CA 1.411 62.358 61.300 -0.588 0.000 1.365 167 I CB -0.492 37.081 38.000 -0.712 0.000 1.051 167 I HN 0.207 nan 8.210 nan 0.000 0.420 168 L N 0.193 121.292 121.223 -0.207 0.000 2.179 168 L HA -0.140 4.213 4.340 0.021 0.000 0.208 168 L C 2.566 179.387 176.870 -0.082 0.000 1.096 168 L CA 0.814 55.554 54.840 -0.167 0.000 0.779 168 L CB -0.482 41.490 42.059 -0.145 0.000 0.922 168 L HN 0.294 nan 8.230 nan 0.000 0.443 169 E N 0.565 120.734 120.200 -0.052 0.000 2.086 169 E HA -0.263 4.099 4.350 0.021 0.000 0.205 169 E C -0.597 176.036 176.600 0.056 0.000 1.027 169 E CA 1.955 58.355 56.400 0.000 0.000 0.830 169 E CB -0.640 29.062 29.700 0.003 0.000 0.751 169 E HN 0.301 nan 8.360 nan 0.000 0.456 170 P HA -0.196 nan 4.420 nan 0.000 0.205 170 P C 1.216 178.627 177.300 0.185 0.000 1.181 170 P CA 1.429 64.626 63.100 0.160 0.000 0.933 170 P CB -0.382 31.483 31.700 0.275 0.000 0.775 171 F N 0.347 120.280 119.950 -0.028 0.000 2.045 171 F HA -0.369 4.171 4.527 0.021 0.000 0.297 171 F C 2.481 178.261 175.800 -0.034 0.000 1.114 171 F CA 1.415 59.382 58.000 -0.055 0.000 1.207 171 F CB -0.242 38.649 39.000 -0.181 0.000 0.964 171 F HN -0.227 nan 8.300 nan 0.000 0.486 172 R N 0.706 121.332 120.500 0.210 0.000 2.159 172 R HA -0.263 4.089 4.340 0.021 0.000 0.249 172 R C 2.030 178.409 176.300 0.133 0.000 1.136 172 R CA 2.335 58.481 56.100 0.076 0.000 0.951 172 R CB -0.860 29.439 30.300 -0.003 0.000 0.876 172 R HN 0.432 nan 8.270 nan 0.000 0.440 173 K N 0.446 120.920 120.400 0.123 0.000 2.147 173 K HA -0.159 4.173 4.320 0.021 0.000 0.205 173 K C 2.137 178.801 176.600 0.107 0.000 1.049 173 K CA 1.320 57.665 56.287 0.097 0.000 0.936 173 K CB -0.019 32.529 32.500 0.080 0.000 0.722 173 K HN 0.397 nan 8.250 nan 0.000 0.446 174 Q N -0.103 119.781 119.800 0.140 0.000 2.354 174 Q HA 0.052 4.404 4.340 0.021 0.000 0.203 174 Q C 0.107 176.174 176.000 0.113 0.000 0.933 174 Q CA 0.454 56.312 55.803 0.090 0.000 0.901 174 Q CB 0.361 29.108 28.738 0.015 0.000 1.007 174 Q HN 0.204 nan 8.270 nan 0.000 0.495 175 N N 1.224 120.063 118.700 0.232 0.000 2.762 175 N HA 0.130 4.883 4.740 0.021 0.000 0.252 175 N C -2.214 173.402 175.510 0.177 0.000 1.269 175 N CA -0.877 52.318 53.050 0.241 0.000 0.799 175 N CB 1.634 40.415 38.487 0.490 0.000 1.173 175 N HN 0.052 nan 8.380 nan 0.000 0.516 176 P HA -0.081 nan 4.420 nan 0.000 0.217 176 P C 0.348 177.693 177.300 0.075 0.000 1.151 176 P CA 1.092 64.241 63.100 0.082 0.000 0.828 176 P CB 0.477 32.216 31.700 0.065 0.000 0.788 177 D N 0.061 120.508 120.400 0.079 0.000 2.379 177 D HA 0.087 4.740 4.640 0.021 0.000 0.243 177 D C 0.885 177.231 176.300 0.077 0.000 1.088 177 D CA 0.659 54.701 54.000 0.070 0.000 0.925 177 D CB 0.022 40.861 40.800 0.066 0.000 0.888 177 D HN 0.338 nan 8.370 nan 0.000 0.529 178 I N 0.194 120.813 120.570 0.081 0.000 2.740 178 I HA 0.254 4.437 4.170 0.021 0.000 0.303 178 I C -0.301 175.832 176.117 0.027 0.000 1.044 178 I CA -1.268 60.069 61.300 0.061 0.000 1.064 178 I CB 2.665 40.709 38.000 0.074 0.000 1.249 178 I HN -0.320 nan 8.210 nan 0.000 0.433 179 V N 3.382 123.301 119.914 0.008 0.000 2.577 179 V HA 0.638 4.770 4.120 0.021 0.000 0.303 179 V C -0.752 175.345 176.094 0.004 0.000 1.042 179 V CA -0.499 61.828 62.300 0.046 0.000 0.872 179 V CB 1.634 33.522 31.823 0.108 0.000 0.998 179 V HN 0.538 nan 8.190 nan 0.000 0.423 180 I N 5.203 125.815 120.570 0.071 0.000 2.441 180 I HA 0.514 4.696 4.170 0.021 0.000 0.295 180 I C -1.018 175.311 176.117 0.355 0.000 0.994 180 I CA -0.600 60.736 61.300 0.060 0.000 1.144 180 I CB 2.076 40.025 38.000 -0.085 0.000 1.314 180 I HN 0.644 nan 8.210 nan 0.000 0.445 181 Y N 4.743 125.029 120.300 -0.024 0.000 2.328 181 Y HA 0.344 4.907 4.550 0.020 0.000 0.333 181 Y C -0.030 175.920 175.900 0.084 0.000 0.958 181 Y CA -1.037 57.073 58.100 0.017 0.000 1.167 181 Y CB 1.691 40.144 38.460 -0.011 0.000 1.151 181 Y HN 0.443 nan 8.280 nan 0.000 0.470 182 Q N 3.631 123.529 119.800 0.164 0.000 2.279 182 Q HA 0.218 4.571 4.340 0.021 0.000 0.256 182 Q C -1.623 174.492 176.000 0.192 0.000 0.937 182 Q CA -0.412 55.456 55.803 0.108 0.000 0.933 182 Q CB 1.654 30.390 28.738 -0.003 0.000 1.189 182 Q HN 0.632 nan 8.270 nan 0.000 0.417 183 Y N 4.409 124.749 120.300 0.065 0.000 2.287 183 Y HA 0.146 4.709 4.550 0.021 0.000 0.321 183 Y C -0.140 175.790 175.900 0.049 0.000 1.173 183 Y CA -0.372 57.786 58.100 0.097 0.000 1.124 183 Y CB 0.517 39.123 38.460 0.243 0.000 1.201 183 Y HN 0.846 nan 8.280 nan 0.000 0.421 184 M N 1.407 120.775 119.600 -0.387 0.000 7.319 184 M HA -0.424 4.069 4.480 0.021 0.000 0.312 184 M C 0.479 176.625 176.300 -0.256 0.000 0.480 184 M CA 2.076 57.176 55.300 -0.333 0.000 1.311 184 M CB -0.949 31.529 32.600 -0.204 0.000 0.421 184 M HN 0.649 nan 8.290 nan 0.000 0.892 185 D N 0.943 121.316 120.400 -0.046 0.000 2.309 185 D HA 0.021 4.673 4.640 0.021 0.000 0.212 185 D C -0.037 176.307 176.300 0.073 0.000 0.968 185 D CA 1.345 55.382 54.000 0.061 0.000 0.882 185 D CB -0.326 40.585 40.800 0.185 0.000 0.918 185 D HN 0.385 nan 8.370 nan 0.000 0.503 186 D N -1.001 119.438 120.400 0.065 0.000 2.384 186 D HA 0.493 5.145 4.640 0.021 0.000 0.250 186 D C -0.263 175.938 176.300 -0.165 0.000 1.029 186 D CA -0.537 53.407 54.000 -0.094 0.000 0.990 186 D CB 1.901 42.542 40.800 -0.265 0.000 1.175 186 D HN -0.154 nan 8.370 nan 0.000 0.532 187 L N 1.327 122.321 121.223 -0.382 0.000 2.356 187 L HA 0.409 4.762 4.340 0.021 0.000 0.277 187 L C -1.329 175.175 176.870 -0.611 0.000 0.996 187 L CA -0.870 53.793 54.840 -0.294 0.000 0.822 187 L CB 1.127 43.077 42.059 -0.182 0.000 1.256 187 L HN 0.363 nan 8.230 nan 0.000 0.413 188 Y N 2.865 123.089 120.300 -0.126 0.000 2.402 188 Y HA 0.414 4.976 4.550 0.021 0.000 0.332 188 Y C -0.120 175.625 175.900 -0.258 0.000 0.960 188 Y CA -0.794 57.153 58.100 -0.255 0.000 1.228 188 Y CB 1.548 39.785 38.460 -0.371 0.000 1.120 188 Y HN 0.138 nan 8.280 nan 0.000 0.491 189 V N 3.444 123.267 119.914 -0.152 0.000 2.347 189 V HA 0.816 4.949 4.120 0.021 0.000 0.280 189 V C 0.380 176.471 176.094 -0.006 0.000 1.021 189 V CA -0.595 61.634 62.300 -0.118 0.000 0.847 189 V CB 0.988 32.721 31.823 -0.150 0.000 0.990 189 V HN 0.877 nan 8.190 nan 0.000 0.444 190 G N 2.767 111.545 108.800 -0.036 0.000 2.630 190 G HA2 0.861 4.833 3.960 0.021 0.000 0.296 190 G HA3 0.861 4.833 3.960 0.021 0.000 0.296 190 G C -0.698 174.238 174.900 0.060 0.000 1.285 190 G CA -0.032 45.078 45.100 0.017 0.000 0.958 190 G HN 1.061 nan 8.290 nan 0.000 0.479 191 S N -1.510 114.178 115.700 -0.020 0.000 2.683 191 S HA 0.501 4.983 4.470 0.021 0.000 0.269 191 S C -1.428 173.137 174.600 -0.059 0.000 1.165 191 S CA -0.486 57.725 58.200 0.019 0.000 0.840 191 S CB 1.737 65.049 63.200 0.186 0.000 1.169 191 S HN 0.346 nan 8.310 nan 0.000 0.490 192 D N 0.552 120.946 120.400 -0.009 0.000 2.540 192 D HA 0.328 4.981 4.640 0.021 0.000 0.229 192 D C 0.995 177.297 176.300 0.004 0.000 1.250 192 D CA -0.049 53.939 54.000 -0.020 0.000 0.817 192 D CB 0.228 41.023 40.800 -0.008 0.000 1.060 192 D HN 0.443 nan 8.370 nan 0.000 0.508 193 L N 0.429 121.673 121.223 0.034 0.000 2.360 193 L HA 0.127 4.479 4.340 0.021 0.000 0.161 193 L C 0.783 177.675 176.870 0.037 0.000 0.874 193 L CA 0.197 55.068 54.840 0.051 0.000 1.257 193 L CB -0.118 41.996 42.059 0.092 0.000 1.645 193 L HN -0.223 nan 8.230 nan 0.000 0.442 194 E N -0.050 120.183 120.200 0.054 0.000 2.204 194 E HA 0.164 4.527 4.350 0.021 0.000 0.276 194 E C 1.013 177.654 176.600 0.069 0.000 0.974 194 E CA -0.320 56.107 56.400 0.044 0.000 0.815 194 E CB 1.874 31.598 29.700 0.040 0.000 1.119 194 E HN 0.480 nan 8.360 nan 0.000 0.393 195 I N 0.416 121.017 120.570 0.052 0.000 2.381 195 I HA -0.196 3.987 4.170 0.021 0.000 0.255 195 I C 1.533 177.714 176.117 0.107 0.000 1.140 195 I CA 1.910 63.257 61.300 0.078 0.000 1.404 195 I CB -0.261 37.769 38.000 0.049 0.000 1.075 195 I HN 0.586 nan 8.210 nan 0.000 0.433 196 G N 0.810 109.656 108.800 0.077 0.000 2.414 196 G HA2 -0.206 3.767 3.960 0.021 0.000 0.215 196 G HA3 -0.206 3.767 3.960 0.021 0.000 0.215 196 G C 1.537 176.485 174.900 0.079 0.000 1.188 196 G CA 0.839 45.980 45.100 0.068 0.000 0.783 196 G HN 0.608 nan 8.290 nan 0.000 0.537 197 Q N -0.462 119.388 119.800 0.083 0.000 2.061 197 Q HA -0.166 4.186 4.340 0.021 0.000 0.204 197 Q C 2.259 178.329 176.000 0.117 0.000 0.984 197 Q CA 1.544 57.398 55.803 0.084 0.000 0.846 197 Q CB -0.409 28.376 28.738 0.078 0.000 0.902 197 Q HN 0.687 nan 8.270 nan 0.000 0.421 198 H N 1.427 120.524 119.070 0.045 0.000 2.251 198 H HA -0.158 4.411 4.556 0.021 0.000 0.294 198 H C 2.207 177.569 175.328 0.058 0.000 1.078 198 H CA 2.332 58.410 56.048 0.051 0.000 1.246 198 H CB -0.104 29.680 29.762 0.037 0.000 1.358 198 H HN 0.046 nan 8.280 nan 0.000 0.488 199 R N -0.238 120.327 120.500 0.108 0.000 2.153 199 R HA -0.178 4.174 4.340 0.021 0.000 0.252 199 R C 1.881 178.182 176.300 0.001 0.000 1.158 199 R CA 2.229 58.350 56.100 0.035 0.000 0.975 199 R CB -0.831 29.517 30.300 0.081 0.000 0.871 199 R HN 0.491 nan 8.270 nan 0.000 0.450 200 T N 1.238 115.805 114.554 0.022 0.000 2.821 200 T HA -0.040 4.322 4.350 0.021 0.000 0.267 200 T C 1.735 176.444 174.700 0.016 0.000 1.046 200 T CA 1.002 63.114 62.100 0.020 0.000 1.139 200 T CB 0.004 68.887 68.868 0.025 0.000 0.871 200 T HN 0.192 nan 8.240 nan 0.000 0.454 201 K N 1.077 121.488 120.400 0.017 0.000 2.025 201 K HA 0.032 4.365 4.320 0.021 0.000 0.207 201 K C 2.269 178.931 176.600 0.104 0.000 1.049 201 K CA 0.733 57.071 56.287 0.086 0.000 0.933 201 K CB -0.679 31.911 32.500 0.150 0.000 0.714 201 K HN 0.288 nan 8.250 nan 0.000 0.438 202 I N 1.442 121.980 120.570 -0.053 0.000 2.068 202 I HA -0.295 3.888 4.170 0.021 0.000 0.238 202 I C 2.309 178.449 176.117 0.038 0.000 1.046 202 I CA 1.566 62.831 61.300 -0.059 0.000 1.306 202 I CB -1.428 36.496 38.000 -0.127 0.000 1.023 202 I HN 0.198 nan 8.210 nan 0.000 0.399 203 E N 0.883 121.100 120.200 0.028 0.000 2.171 203 E HA -0.259 4.103 4.350 0.021 0.000 0.197 203 E C 2.133 178.777 176.600 0.074 0.000 0.997 203 E CA 1.641 58.069 56.400 0.047 0.000 0.810 203 E CB -0.211 29.509 29.700 0.033 0.000 0.738 203 E HN 0.543 nan 8.360 nan 0.000 0.467 204 E N -0.461 119.788 120.200 0.083 0.000 2.046 204 E HA -0.124 4.239 4.350 0.021 0.000 0.190 204 E C 2.163 178.877 176.600 0.190 0.000 0.982 204 E CA 0.742 57.187 56.400 0.076 0.000 0.800 204 E CB -0.174 29.506 29.700 -0.033 0.000 0.756 204 E HN 0.349 nan 8.360 nan 0.000 0.449 205 L N 0.811 122.243 121.223 0.348 0.000 1.961 205 L HA -0.231 4.121 4.340 0.021 0.000 0.210 205 L C 2.657 179.678 176.870 0.252 0.000 1.072 205 L CA 1.488 56.583 54.840 0.424 0.000 0.749 205 L CB -0.348 41.864 42.059 0.255 0.000 0.889 205 L HN 0.171 nan 8.230 nan 0.000 0.432 206 R N -0.493 120.100 120.500 0.156 0.000 2.196 206 R HA -0.323 4.030 4.340 0.021 0.000 0.244 206 R C 2.214 178.610 176.300 0.159 0.000 1.121 206 R CA 2.580 58.754 56.100 0.123 0.000 0.930 206 R CB -0.788 29.561 30.300 0.083 0.000 0.890 206 R HN 0.563 nan 8.270 nan 0.000 0.435 207 Q N -0.887 119.000 119.800 0.145 0.000 2.096 207 Q HA -0.260 4.092 4.340 0.021 0.000 0.208 207 Q C 2.281 178.394 176.000 0.188 0.000 0.993 207 Q CA 1.813 57.695 55.803 0.130 0.000 0.862 207 Q CB -0.396 28.398 28.738 0.093 0.000 0.915 207 Q HN 0.506 nan 8.270 nan 0.000 0.416 208 H N 0.920 120.078 119.070 0.146 0.000 2.352 208 H HA -0.135 4.434 4.556 0.021 0.000 0.299 208 H C 1.941 177.466 175.328 0.328 0.000 1.097 208 H CA 1.621 57.802 56.048 0.221 0.000 1.311 208 H CB -0.186 29.734 29.762 0.263 0.000 1.377 208 H HN 0.208 nan 8.280 nan 0.000 0.504 209 L N -0.060 121.474 121.223 0.518 0.000 2.017 209 L HA -0.216 4.137 4.340 0.021 0.000 0.208 209 L C 2.806 179.868 176.870 0.321 0.000 1.073 209 L CA 0.779 55.869 54.840 0.417 0.000 0.745 209 L CB -0.551 41.644 42.059 0.226 0.000 0.894 209 L HN 0.174 nan 8.230 nan 0.000 0.432 210 L N -0.211 121.134 121.223 0.204 0.000 2.187 210 L HA -0.188 4.164 4.340 0.021 0.000 0.213 210 L C 2.596 179.524 176.870 0.096 0.000 1.100 210 L CA 1.487 56.403 54.840 0.128 0.000 0.765 210 L CB -0.963 41.147 42.059 0.085 0.000 0.904 210 L HN 0.209 nan 8.230 nan 0.000 0.437 211 R N -1.240 119.308 120.500 0.080 0.000 2.241 211 R HA -0.185 4.167 4.340 0.021 0.000 0.224 211 R C 0.335 176.496 176.300 -0.231 0.000 1.101 211 R CA 0.968 56.993 56.100 -0.124 0.000 0.995 211 R CB -0.057 30.081 30.300 -0.270 0.000 0.870 211 R HN 0.384 nan 8.270 nan 0.000 0.463 212 W N -0.203 121.082 121.300 -0.026 0.000 2.159 212 W HA 0.389 5.062 4.660 0.021 0.000 0.375 212 W C 0.958 177.475 176.519 -0.003 0.000 0.794 212 W CA 0.045 57.383 57.345 -0.012 0.000 2.716 212 W CB 0.471 29.939 29.460 0.013 0.000 1.583 212 W HN 0.189 nan 8.180 nan 0.000 0.702 213 G N 0.918 109.806 108.800 0.147 0.000 2.205 213 G HA2 -0.371 3.601 3.960 0.021 0.000 0.269 213 G HA3 -0.371 3.601 3.960 0.021 0.000 0.269 213 G C 0.159 175.121 174.900 0.103 0.000 0.977 213 G CA 0.412 45.573 45.100 0.101 0.000 0.652 213 G HN 0.383 nan 8.290 nan 0.000 0.539 214 L N 2.295 123.600 121.223 0.138 0.000 2.261 214 L HA 0.578 4.931 4.340 0.021 0.000 0.289 214 L C 0.121 177.050 176.870 0.098 0.000 1.059 214 L CA -0.393 54.502 54.840 0.091 0.000 0.816 214 L CB 0.915 43.018 42.059 0.073 0.000 1.191 214 L HN 0.086 nan 8.230 nan 0.000 0.431 215 T N 2.425 117.026 114.554 0.077 0.000 2.837 215 T HA 0.238 4.601 4.350 0.021 0.000 0.285 215 T C 0.030 174.776 174.700 0.077 0.000 0.984 215 T CA -0.287 61.860 62.100 0.077 0.000 1.049 215 T CB 1.517 70.426 68.868 0.068 0.000 0.947 215 T HN 0.565 nan 8.240 nan 0.000 0.472 216 T N 3.041 117.642 114.554 0.077 0.000 2.928 216 T HA 0.451 4.814 4.350 0.021 0.000 0.284 216 T C -1.737 173.010 174.700 0.079 0.000 1.008 216 T CA -1.628 60.516 62.100 0.073 0.000 1.057 216 T CB 0.294 69.201 68.868 0.066 0.000 1.018 216 T HN 0.358 nan 8.240 nan 0.000 0.493 217 P HA -0.073 nan 4.420 nan 0.000 0.295 217 P C -0.976 176.406 177.300 0.136 0.000 1.901 217 P CA 0.547 63.720 63.100 0.121 0.000 1.673 217 P CB 0.268 32.039 31.700 0.120 0.000 0.510 218 D N -2.959 117.542 120.400 0.168 0.000 2.753 218 D HA 0.168 4.820 4.640 0.021 0.000 0.224 218 D C 0.351 176.690 176.300 0.065 0.000 1.213 218 D CA -0.698 53.369 54.000 0.111 0.000 0.833 218 D CB 1.064 41.940 40.800 0.125 0.000 1.607 218 D HN 0.043 nan 8.370 nan 0.000 0.463 219 K N 1.274 121.695 120.400 0.036 0.000 2.242 219 K HA -0.239 4.093 4.320 0.021 0.000 0.206 219 K C 1.480 178.078 176.600 -0.003 0.000 1.045 219 K CA 1.208 57.510 56.287 0.025 0.000 0.930 219 K CB 0.115 32.625 32.500 0.017 0.000 0.726 219 K HN 0.334 nan 8.250 nan 0.000 0.462 220 K N 0.122 120.481 120.400 -0.067 0.000 2.031 220 K HA -0.120 4.212 4.320 0.021 0.000 0.205 220 K C 1.838 178.321 176.600 -0.195 0.000 1.049 220 K CA 1.148 57.330 56.287 -0.175 0.000 0.939 220 K CB 0.105 32.413 32.500 -0.320 0.000 0.717 220 K HN 0.240 nan 8.250 nan 0.000 0.438 221 H N 0.460 119.564 119.070 0.055 0.000 2.535 221 H HA 0.073 4.641 4.556 0.021 0.000 0.273 221 H C 0.182 175.555 175.328 0.076 0.000 0.983 221 H CA 0.273 56.360 56.048 0.065 0.000 1.238 221 H CB 0.179 29.979 29.762 0.063 0.000 1.412 221 H HN 0.209 nan 8.280 nan 0.000 0.562 222 Q N 2.496 122.390 119.800 0.157 0.000 2.320 222 Q HA -0.044 4.309 4.340 0.021 0.000 0.311 222 Q C 0.233 176.328 176.000 0.159 0.000 1.083 222 Q CA 0.816 56.700 55.803 0.136 0.000 1.001 222 Q CB 0.430 29.230 28.738 0.103 0.000 1.074 222 Q HN 0.436 nan 8.270 nan 0.000 0.379 223 K N 2.270 122.791 120.400 0.202 0.000 2.118 223 K HA 0.353 4.686 4.320 0.021 0.000 0.264 223 K C 0.079 176.906 176.600 0.378 0.000 1.000 223 K CA -0.555 55.906 56.287 0.291 0.000 0.929 223 K CB 0.970 33.692 32.500 0.370 0.000 1.021 223 K HN 0.344 nan 8.250 nan 0.000 0.463 224 E N 1.534 121.896 120.200 0.270 0.000 2.293 224 E HA 0.314 4.676 4.350 0.021 0.000 0.270 224 E C -2.569 173.764 176.600 -0.446 0.000 0.879 224 E CA -2.418 54.021 56.400 0.063 0.000 0.756 224 E CB 1.555 31.275 29.700 0.033 0.000 1.208 224 E HN 0.321 nan 8.360 nan 0.000 0.428 225 P HA -0.007 nan 4.420 nan 0.000 0.269 225 P C -2.150 174.877 177.300 -0.455 0.000 1.205 225 P CA -0.406 62.028 63.100 -1.111 0.000 0.780 225 P CB -0.177 31.200 31.700 -0.539 0.000 0.858 226 P HA 0.250 nan 4.420 nan 0.000 0.277 226 P C -1.101 175.881 177.300 -0.530 0.000 1.271 226 P CA 0.018 62.855 63.100 -0.438 0.000 0.795 226 P CB 0.559 31.988 31.700 -0.452 0.000 1.101 227 F N -0.862 119.095 119.950 0.011 0.000 2.469 227 F HA 0.368 4.908 4.527 0.020 0.000 0.332 227 F C 0.521 176.387 175.800 0.110 0.000 1.103 227 F CA -0.874 57.169 58.000 0.072 0.000 0.979 227 F CB 1.099 40.138 39.000 0.064 0.000 1.137 227 F HN -0.017 nan 8.300 nan 0.000 0.463 228 L N 3.537 124.966 121.223 0.343 0.000 2.312 228 L HA 0.136 4.489 4.340 0.021 0.000 0.287 228 L C -0.706 176.365 176.870 0.335 0.000 1.091 228 L CA -0.023 54.979 54.840 0.271 0.000 0.846 228 L CB 0.302 42.474 42.059 0.189 0.000 1.219 228 L HN 0.612 nan 8.230 nan 0.000 0.439 229 W N 7.278 128.606 121.300 0.046 0.000 2.336 229 W HA 0.233 4.905 4.660 0.020 0.000 0.315 229 W C -0.347 176.141 176.519 -0.052 0.000 1.016 229 W CA -1.053 56.238 57.345 -0.089 0.000 1.318 229 W CB 1.458 30.788 29.460 -0.218 0.000 1.247 229 W HN 0.473 nan 8.180 nan 0.000 0.414 230 M N 5.022 124.323 119.600 -0.498 0.000 2.212 230 M HA -0.230 4.262 4.480 0.021 0.000 0.193 230 M C 1.002 177.332 176.300 0.049 0.000 0.493 230 M CA 1.788 56.869 55.300 -0.366 0.000 0.427 230 M CB -2.600 29.675 32.600 -0.542 0.000 1.120 230 M HN 0.887 nan 8.290 nan 0.000 0.929 231 G N -2.025 106.811 108.800 0.060 0.000 2.199 231 G HA2 -0.312 3.660 3.960 0.021 0.000 0.254 231 G HA3 -0.312 3.660 3.960 0.021 0.000 0.254 231 G C -0.141 174.962 174.900 0.338 0.000 0.982 231 G CA 0.492 45.681 45.100 0.148 0.000 0.632 231 G HN 0.585 nan 8.290 nan 0.000 0.529 232 Y N 0.510 120.904 120.300 0.157 0.000 2.480 232 Y HA 0.686 5.248 4.550 0.020 0.000 0.323 232 Y C 0.775 176.785 175.900 0.183 0.000 1.267 232 Y CA -1.170 57.050 58.100 0.201 0.000 1.336 232 Y CB 0.954 39.496 38.460 0.138 0.000 1.361 232 Y HN 0.146 nan 8.280 nan 0.000 0.518 233 E N 1.222 121.636 120.200 0.356 0.000 2.191 233 E HA 0.384 4.747 4.350 0.021 0.000 0.263 233 E C -1.438 175.193 176.600 0.052 0.000 0.881 233 E CA -0.461 56.009 56.400 0.117 0.000 0.757 233 E CB 1.401 31.103 29.700 0.003 0.000 1.147 233 E HN 0.398 nan 8.360 nan 0.000 0.414 234 L N 5.122 126.384 121.223 0.066 0.000 2.302 234 L HA 0.267 4.619 4.340 0.021 0.000 0.285 234 L C -0.107 176.807 176.870 0.074 0.000 1.090 234 L CA -0.462 54.505 54.840 0.211 0.000 0.866 234 L CB -0.163 42.088 42.059 0.321 0.000 1.244 234 L HN 0.427 nan 8.230 nan 0.000 0.435 235 H N 3.469 122.750 119.070 0.352 0.000 2.481 235 H HA 0.183 4.751 4.556 0.020 0.000 0.339 235 H C -1.578 173.966 175.328 0.360 0.000 1.131 235 H CA -2.098 54.091 56.048 0.234 0.000 1.301 235 H CB 1.379 31.228 29.762 0.145 0.000 1.476 235 H HN 0.265 nan 8.280 nan 0.000 0.529 236 P HA -0.219 nan 4.420 nan 0.000 0.217 236 P C 0.474 178.013 177.300 0.399 0.000 1.162 236 P CA 2.158 65.426 63.100 0.280 0.000 0.901 236 P CB 0.205 32.000 31.700 0.158 0.000 0.793 237 D N -3.173 117.425 120.400 0.330 0.000 2.402 237 D HA 0.104 4.757 4.640 0.021 0.000 0.216 237 D C 0.523 176.909 176.300 0.143 0.000 1.128 237 D CA -0.282 53.879 54.000 0.267 0.000 0.833 237 D CB 0.063 40.939 40.800 0.127 0.000 0.971 237 D HN 0.119 nan 8.370 nan 0.000 0.503 238 K N -0.188 120.271 120.400 0.097 0.000 2.842 238 K HA 0.187 4.520 4.320 0.021 0.000 0.293 238 K C -1.796 174.760 176.600 -0.073 0.000 1.068 238 K CA -0.817 55.312 56.287 -0.262 0.000 0.827 238 K CB 0.156 32.563 32.500 -0.154 0.000 1.524 238 K HN 0.215 nan 8.250 nan 0.000 0.368 239 W N 0.393 121.640 121.300 -0.089 0.000 2.950 239 W HA 0.689 5.361 4.660 0.019 0.000 0.340 239 W C -1.027 175.633 176.519 0.236 0.000 1.139 239 W CA -0.829 56.595 57.345 0.132 0.000 1.188 239 W CB 1.215 30.746 29.460 0.117 0.000 1.426 239 W HN 0.891 nan 8.180 nan 0.000 0.531 240 T N -1.063 113.894 114.554 0.672 0.000 2.742 240 T HA 0.600 4.962 4.350 0.021 0.000 0.282 240 T C -1.030 173.932 174.700 0.436 0.000 1.025 240 T CA -0.725 61.658 62.100 0.472 0.000 1.020 240 T CB 1.793 70.877 68.868 0.361 0.000 1.317 240 T HN 0.659 nan 8.240 nan 0.000 0.538 241 V N 0.657 120.705 119.914 0.222 0.000 2.581 241 V HA 0.458 4.590 4.120 0.021 0.000 0.303 241 V C -0.337 175.867 176.094 0.183 0.000 1.041 241 V CA -0.711 61.643 62.300 0.090 0.000 0.907 241 V CB 1.456 33.255 31.823 -0.040 0.000 0.994 241 V HN 0.993 nan 8.190 nan 0.000 0.442 242 Q N 6.147 126.062 119.800 0.191 0.000 2.361 242 Q HA 0.250 4.603 4.340 0.021 0.000 0.276 242 Q C -2.307 173.803 176.000 0.184 0.000 1.022 242 Q CA -1.223 54.683 55.803 0.171 0.000 0.898 242 Q CB 0.225 29.046 28.738 0.139 0.000 1.246 242 Q HN 0.592 nan 8.270 nan 0.000 0.410 243 P HA -0.052 nan 4.420 nan 0.000 0.264 243 P C -0.840 176.538 177.300 0.130 0.000 1.183 243 P CA 0.616 63.797 63.100 0.135 0.000 0.763 243 P CB 0.396 32.151 31.700 0.092 0.000 0.807 244 I N 3.385 124.033 120.570 0.131 0.000 2.304 244 I HA 0.161 4.344 4.170 0.021 0.000 0.291 244 I C 0.270 176.421 176.117 0.058 0.000 1.018 244 I CA -1.007 60.363 61.300 0.118 0.000 1.260 244 I CB 1.141 39.233 38.000 0.153 0.000 1.390 244 I HN 0.097 nan 8.210 nan 0.000 0.475 245 V N 6.127 126.074 119.914 0.055 0.000 2.383 245 V HA 0.457 4.590 4.120 0.021 0.000 0.275 245 V C -0.206 175.922 176.094 0.057 0.000 1.036 245 V CA -0.595 61.731 62.300 0.044 0.000 0.889 245 V CB 1.104 32.948 31.823 0.035 0.000 0.985 245 V HN 0.512 nan 8.190 nan 0.000 0.459 246 L N 7.679 128.939 121.223 0.062 0.000 2.287 246 L HA 0.445 4.797 4.340 0.021 0.000 0.280 246 L C -1.808 175.147 176.870 0.142 0.000 1.055 246 L CA -1.613 53.292 54.840 0.110 0.000 0.863 246 L CB 1.433 43.543 42.059 0.085 0.000 1.245 246 L HN 0.542 nan 8.230 nan 0.000 0.432 247 P HA -0.054 nan 4.420 nan 0.000 0.264 247 P C -0.499 176.865 177.300 0.107 0.000 1.179 247 P CA 0.050 63.186 63.100 0.061 0.000 0.763 247 P CB 1.218 32.896 31.700 -0.037 0.000 0.806 248 E N 2.828 123.044 120.200 0.027 0.000 2.156 248 E HA 0.320 4.682 4.350 0.021 0.000 0.279 248 E C -0.292 176.246 176.600 -0.103 0.000 0.965 248 E CA -0.374 56.066 56.400 0.066 0.000 0.789 248 E CB 1.209 30.944 29.700 0.059 0.000 1.098 248 E HN 0.389 nan 8.360 nan 0.000 0.397 249 K N 2.112 122.412 120.400 -0.167 0.000 2.495 249 K HA 0.391 4.724 4.320 0.021 0.000 0.268 249 K C -0.678 175.825 176.600 -0.161 0.000 1.008 249 K CA -0.694 55.366 56.287 -0.379 0.000 0.882 249 K CB 1.186 33.103 32.500 -0.972 0.000 1.443 249 K HN 0.070 nan 8.250 nan 0.000 0.447 250 D N -0.251 120.054 120.400 -0.157 0.000 2.469 250 D HA 0.062 4.714 4.640 0.021 0.000 0.213 250 D C -0.760 175.528 176.300 -0.020 0.000 1.135 250 D CA 0.180 54.172 54.000 -0.015 0.000 0.834 250 D CB 1.034 41.826 40.800 -0.013 0.000 1.009 250 D HN 0.212 nan 8.370 nan 0.000 0.507 251 S N 0.340 115.937 115.700 -0.173 0.000 2.673 251 S HA 0.368 4.850 4.470 0.021 0.000 0.256 251 S C -1.941 172.530 174.600 -0.215 0.000 1.141 251 S CA -0.689 57.451 58.200 -0.101 0.000 1.109 251 S CB -0.000 63.146 63.200 -0.090 0.000 1.101 251 S HN 0.103 nan 8.310 nan 0.000 0.471 252 W N 3.507 124.805 121.300 -0.004 0.000 2.376 252 W HA 0.479 5.153 4.660 0.022 0.000 0.312 252 W C 0.913 177.430 176.519 -0.004 0.000 1.060 252 W CA -0.547 56.796 57.345 -0.004 0.000 1.221 252 W CB 1.430 30.888 29.460 -0.004 0.000 1.281 252 W HN 0.620 nan 8.180 nan 0.000 0.456 253 T N -1.442 113.225 114.554 0.188 0.000 2.881 253 T HA 0.291 4.654 4.350 0.021 0.000 0.278 253 T C 0.931 175.709 174.700 0.131 0.000 0.982 253 T CA -0.738 61.433 62.100 0.118 0.000 0.989 253 T CB 1.247 70.150 68.868 0.058 0.000 1.058 253 T HN 0.196 nan 8.240 nan 0.000 0.529 254 V N 1.627 121.591 119.914 0.083 0.000 2.231 254 V HA -0.231 3.902 4.120 0.021 0.000 0.248 254 V C 2.998 179.136 176.094 0.073 0.000 1.054 254 V CA 2.248 64.588 62.300 0.067 0.000 1.015 254 V CB -1.095 30.754 31.823 0.043 0.000 0.638 254 V HN 0.947 nan 8.190 nan 0.000 0.444 255 N N 0.209 118.946 118.700 0.061 0.000 2.069 255 N HA -0.240 4.513 4.740 0.021 0.000 0.196 255 N C 1.551 177.110 175.510 0.082 0.000 1.024 255 N CA 2.206 55.289 53.050 0.055 0.000 0.869 255 N CB -0.367 38.144 38.487 0.038 0.000 1.035 255 N HN 0.543 nan 8.380 nan 0.000 0.434 256 D N 0.619 121.092 120.400 0.122 0.000 2.097 256 D HA -0.101 4.551 4.640 0.021 0.000 0.195 256 D C 2.162 178.606 176.300 0.239 0.000 0.989 256 D CA 0.697 54.818 54.000 0.202 0.000 0.827 256 D CB -0.377 40.597 40.800 0.290 0.000 0.966 256 D HN 0.407 nan 8.370 nan 0.000 0.456 257 I N 0.962 121.649 120.570 0.196 0.000 2.286 257 I HA -0.270 3.913 4.170 0.021 0.000 0.248 257 I C 2.485 178.630 176.117 0.046 0.000 1.115 257 I CA 1.059 62.408 61.300 0.081 0.000 1.392 257 I CB -0.277 37.741 38.000 0.029 0.000 1.065 257 I HN -0.002 nan 8.210 nan 0.000 0.418 258 Q N 0.570 120.403 119.800 0.055 0.000 2.049 258 Q HA -0.230 4.122 4.340 0.021 0.000 0.198 258 Q C 2.209 178.237 176.000 0.046 0.000 0.971 258 Q CA 1.234 57.060 55.803 0.039 0.000 0.833 258 Q CB -0.157 28.602 28.738 0.035 0.000 0.896 258 Q HN 0.221 nan 8.270 nan 0.000 0.434 259 K N 1.279 121.715 120.400 0.060 0.000 2.032 259 K HA -0.195 4.137 4.320 0.021 0.000 0.209 259 K C 1.896 178.537 176.600 0.069 0.000 1.048 259 K CA 1.026 57.348 56.287 0.058 0.000 0.927 259 K CB -0.580 31.960 32.500 0.067 0.000 0.712 259 K HN 0.118 nan 8.250 nan 0.000 0.441 260 L N 0.079 121.358 121.223 0.093 0.000 1.989 260 L HA -0.135 4.217 4.340 0.021 0.000 0.211 260 L C 1.968 178.865 176.870 0.046 0.000 1.071 260 L CA 1.646 56.536 54.840 0.083 0.000 0.749 260 L CB -0.700 41.405 42.059 0.077 0.000 0.890 260 L HN 0.064 nan 8.230 nan 0.000 0.431 261 V N 0.458 120.387 119.914 0.026 0.000 2.392 261 V HA -0.243 3.890 4.120 0.021 0.000 0.249 261 V C 2.620 178.745 176.094 0.051 0.000 1.059 261 V CA 1.752 64.064 62.300 0.021 0.000 1.051 261 V CB -1.763 30.067 31.823 0.010 0.000 0.658 261 V HN 0.677 nan 8.190 nan 0.000 0.455 262 G N -0.400 108.433 108.800 0.056 0.000 2.511 262 G HA2 -0.342 3.630 3.960 0.021 0.000 0.216 262 G HA3 -0.342 3.630 3.960 0.021 0.000 0.216 262 G C 1.624 176.589 174.900 0.110 0.000 1.218 262 G CA 1.202 46.345 45.100 0.070 0.000 0.788 262 G HN 0.462 nan 8.290 nan 0.000 0.560 263 K N -0.241 120.217 120.400 0.097 0.000 2.074 263 K HA 0.030 4.363 4.320 0.021 0.000 0.209 263 K C 2.574 179.306 176.600 0.220 0.000 1.048 263 K CA 1.012 57.384 56.287 0.142 0.000 0.926 263 K CB -0.311 32.246 32.500 0.095 0.000 0.713 263 K HN 0.316 nan 8.250 nan 0.000 0.444 264 L N 0.942 122.247 121.223 0.136 0.000 2.141 264 L HA -0.196 4.156 4.340 0.021 0.000 0.209 264 L C 2.433 179.372 176.870 0.115 0.000 1.094 264 L CA 0.880 55.784 54.840 0.106 0.000 0.763 264 L CB -0.510 41.572 42.059 0.038 0.000 0.908 264 L HN 0.405 nan 8.230 nan 0.000 0.437 265 N N -0.066 118.711 118.700 0.128 0.000 2.084 265 N HA -0.268 4.484 4.740 0.021 0.000 0.190 265 N C 1.849 177.452 175.510 0.154 0.000 1.030 265 N CA 1.513 54.633 53.050 0.116 0.000 0.849 265 N CB -0.220 38.335 38.487 0.114 0.000 1.012 265 N HN 0.421 nan 8.380 nan 0.000 0.423 266 W N 1.907 123.231 121.300 0.040 0.000 2.350 266 W HA -0.020 4.655 4.660 0.024 0.000 0.289 266 W C 2.274 178.831 176.519 0.064 0.000 1.215 266 W CA 2.116 59.490 57.345 0.048 0.000 1.236 266 W CB -0.416 29.070 29.460 0.043 0.000 1.130 266 W HN 0.177 nan 8.180 nan 0.000 0.541 267 A N -0.063 122.806 122.820 0.081 0.000 2.014 267 A HA -0.140 4.193 4.320 0.021 0.000 0.218 267 A C 2.049 179.609 177.584 -0.039 0.000 1.163 267 A CA 1.867 53.895 52.037 -0.015 0.000 0.652 267 A CB -1.344 17.778 19.000 0.203 0.000 0.808 267 A HN 0.354 nan 8.150 nan 0.000 0.449 268 S N -0.662 115.015 115.700 -0.038 0.000 2.507 268 S HA -0.154 4.328 4.470 0.021 0.000 0.235 268 S C 1.686 176.205 174.600 -0.136 0.000 0.988 268 S CA 1.058 59.230 58.200 -0.047 0.000 0.944 268 S CB -0.263 62.922 63.200 -0.025 0.000 0.762 268 S HN 0.560 nan 8.310 nan 0.000 0.526 269 Q N 1.180 120.835 119.800 -0.242 0.000 2.083 269 Q HA 0.173 4.525 4.340 0.021 0.000 0.198 269 Q C 2.240 178.041 176.000 -0.331 0.000 0.969 269 Q CA 1.303 56.924 55.803 -0.303 0.000 0.838 269 Q CB -0.333 28.184 28.738 -0.367 0.000 0.900 269 Q HN 0.680 nan 8.270 nan 0.000 0.436 270 I N -1.328 118.992 120.570 -0.417 0.000 2.556 270 I HA -0.087 4.095 4.170 0.021 0.000 0.251 270 I C 0.240 176.091 176.117 -0.443 0.000 1.105 270 I CA 0.239 61.262 61.300 -0.461 0.000 1.436 270 I CB -0.029 37.535 38.000 -0.725 0.000 1.139 270 I HN -0.049 nan 8.210 nan 0.000 0.438 271 Y N 3.174 123.364 120.300 -0.183 0.000 2.304 271 Y HA 0.314 4.876 4.550 0.019 0.000 0.328 271 Y C -2.129 173.701 175.900 -0.116 0.000 1.123 271 Y CA -2.901 55.124 58.100 -0.125 0.000 1.218 271 Y CB 0.017 38.415 38.460 -0.104 0.000 1.207 271 Y HN -0.065 nan 8.280 nan 0.000 0.495 272 P HA 0.271 nan 4.420 nan 0.000 0.290 272 P C 0.434 177.737 177.300 0.004 0.000 1.276 272 P CA 0.024 63.119 63.100 -0.007 0.000 0.808 272 P CB 1.731 33.408 31.700 -0.039 0.000 0.966 273 G N 2.900 111.690 108.800 -0.017 0.000 2.194 273 G HA2 -0.186 3.786 3.960 0.021 0.000 0.236 273 G HA3 -0.186 3.786 3.960 0.021 0.000 0.236 273 G C 0.258 175.143 174.900 -0.025 0.000 0.987 273 G CA -0.475 44.611 45.100 -0.023 0.000 0.635 273 G HN 0.469 nan 8.290 nan 0.000 0.520 274 I N 0.791 121.352 120.570 -0.016 0.000 2.710 274 I HA 0.342 4.525 4.170 0.021 0.000 0.286 274 I C 0.667 176.768 176.117 -0.027 0.000 1.181 274 I CA 0.821 62.107 61.300 -0.024 0.000 1.430 274 I CB 0.938 38.933 38.000 -0.008 0.000 1.367 274 I HN 0.137 nan 8.210 nan 0.000 0.577 275 K N 3.561 123.941 120.400 -0.034 0.000 2.469 275 K HA 0.528 4.861 4.320 0.021 0.000 0.254 275 K C 0.050 176.627 176.600 -0.038 0.000 0.939 275 K CA -0.505 55.761 56.287 -0.034 0.000 0.812 275 K CB 2.649 35.126 32.500 -0.039 0.000 1.301 275 K HN 0.389 nan 8.250 nan 0.000 0.433 276 V N -1.073 118.820 119.914 -0.034 0.000 3.372 276 V HA 0.262 4.395 4.120 0.021 0.000 0.304 276 V C 1.407 177.476 176.094 -0.041 0.000 1.530 276 V CA -0.208 62.068 62.300 -0.039 0.000 1.080 276 V CB 0.390 32.199 31.823 -0.024 0.000 0.929 276 V HN 0.743 nan 8.190 nan 0.000 0.455 277 R N 0.671 121.149 120.500 -0.038 0.000 2.097 277 R HA -0.175 4.177 4.340 0.021 0.000 0.236 277 R C 2.280 178.554 176.300 -0.043 0.000 1.135 277 R CA 2.656 58.735 56.100 -0.035 0.000 0.934 277 R CB -0.136 30.144 30.300 -0.034 0.000 0.846 277 R HN 0.575 nan 8.270 nan 0.000 0.431 278 Q N 0.404 120.173 119.800 -0.051 0.000 2.124 278 Q HA -0.060 4.293 4.340 0.021 0.000 0.202 278 Q C 1.289 177.245 176.000 -0.074 0.000 0.977 278 Q CA 0.889 56.656 55.803 -0.059 0.000 0.850 278 Q CB -0.257 28.443 28.738 -0.064 0.000 0.901 278 Q HN 0.360 nan 8.270 nan 0.000 0.429 282 L N 2.097 123.298 121.223 -0.038 0.000 2.261 282 L HA -0.102 4.251 4.340 0.021 0.000 0.216 282 L C 1.936 178.797 176.870 -0.014 0.000 1.114 282 L CA 1.248 56.069 54.840 -0.032 0.000 0.777 282 L CB -0.429 41.598 42.059 -0.052 0.000 0.910 282 L HN 0.182 nan 8.230 nan 0.000 0.440 283 L N -0.715 120.500 121.223 -0.012 0.000 2.478 283 L HA -0.022 4.330 4.340 0.021 0.000 0.223 283 L C 1.053 177.923 176.870 -0.000 0.000 1.140 283 L CA 0.015 54.854 54.840 -0.002 0.000 0.842 283 L CB -0.406 41.652 42.059 -0.001 0.000 0.953 283 L HN 0.172 nan 8.230 nan 0.000 0.452 284 R N 0.834 121.331 120.500 -0.004 0.000 2.494 284 R HA 0.036 4.388 4.340 0.021 0.000 0.291 284 R C 1.317 177.617 176.300 0.000 0.000 0.953 284 R CA 0.730 56.828 56.100 -0.003 0.000 1.098 284 R CB -0.179 30.117 30.300 -0.006 0.000 0.911 284 R HN 0.320 nan 8.270 nan 0.000 0.407 285 G N 2.405 111.206 108.800 0.002 0.000 2.244 285 G HA2 -0.369 3.603 3.960 0.021 0.000 0.274 285 G HA3 -0.369 3.603 3.960 0.021 0.000 0.274 285 G C 0.357 175.261 174.900 0.006 0.000 1.002 285 G CA 0.889 45.991 45.100 0.003 0.000 0.740 285 G HN 0.791 nan 8.290 nan 0.000 0.516 286 T N -1.528 113.030 114.554 0.008 0.000 2.934 286 T HA 0.400 4.763 4.350 0.021 0.000 0.306 286 T C 1.440 176.146 174.700 0.011 0.000 1.042 286 T CA 0.639 62.746 62.100 0.011 0.000 1.145 286 T CB 1.368 70.244 68.868 0.014 0.000 0.982 286 T HN 0.734 nan 8.240 nan 0.000 0.544 287 K N 1.218 121.625 120.400 0.012 0.000 2.334 287 K HA 0.520 4.852 4.320 0.021 0.000 0.195 287 K C 0.589 177.196 176.600 0.012 0.000 1.045 287 K CA -0.068 56.226 56.287 0.011 0.000 1.004 287 K CB 0.472 32.978 32.500 0.010 0.000 0.837 287 K HN 0.730 nan 8.250 nan 0.000 0.510 288 A N 0.684 123.513 122.820 0.014 0.000 2.612 288 A HA 0.423 4.755 4.320 0.021 0.000 0.293 288 A C 0.246 177.841 177.584 0.019 0.000 1.075 288 A CA -0.826 51.220 52.037 0.015 0.000 0.680 288 A CB 0.732 19.740 19.000 0.013 0.000 1.279 288 A HN 0.094 nan 8.150 nan 0.000 0.411 289 L N 0.340 121.574 121.223 0.018 0.000 2.093 289 L HA -0.091 4.262 4.340 0.021 0.000 0.208 289 L C 2.578 179.463 176.870 0.026 0.000 1.085 289 L CA 2.036 56.890 54.840 0.022 0.000 0.755 289 L CB -0.507 41.563 42.059 0.018 0.000 0.904 289 L HN 0.968 nan 8.230 nan 0.000 0.435 290 T N -3.360 111.205 114.554 0.019 0.000 3.160 290 T HA -0.077 4.285 4.350 0.021 0.000 0.257 290 T C 0.734 175.447 174.700 0.022 0.000 1.147 290 T CA -0.172 61.939 62.100 0.017 0.000 1.064 290 T CB -0.298 68.576 68.868 0.010 0.000 0.949 290 T HN 0.294 nan 8.240 nan 0.000 0.526 291 E N 1.540 121.755 120.200 0.026 0.000 2.414 291 E HA 0.189 4.552 4.350 0.021 0.000 0.263 291 E C -0.869 175.756 176.600 0.042 0.000 1.000 291 E CA -0.402 56.015 56.400 0.029 0.000 0.914 291 E CB 0.645 30.360 29.700 0.026 0.000 0.948 291 E HN 0.147 nan 8.360 nan 0.000 0.444 292 V N 6.451 126.390 119.914 0.042 0.000 2.385 292 V HA 0.199 4.331 4.120 0.021 0.000 0.269 292 V C -0.086 176.047 176.094 0.065 0.000 1.043 292 V CA -0.462 61.874 62.300 0.061 0.000 0.906 292 V CB 0.551 32.403 31.823 0.048 0.000 0.995 292 V HN 0.522 nan 8.190 nan 0.000 0.467 293 I N 8.598 129.220 120.570 0.087 0.000 2.328 293 I HA 0.393 4.575 4.170 0.021 0.000 0.287 293 I C -1.873 174.292 176.117 0.081 0.000 1.012 293 I CA -2.239 59.101 61.300 0.066 0.000 1.195 293 I CB 1.724 39.751 38.000 0.046 0.000 1.350 293 I HN 0.462 nan 8.210 nan 0.000 0.464 294 P HA 0.124 nan 4.420 nan 0.000 0.271 294 P C -0.557 176.758 177.300 0.024 0.000 1.220 294 P CA -0.220 62.919 63.100 0.065 0.000 0.768 294 P CB 0.633 32.360 31.700 0.045 0.000 0.848 295 L N 2.874 124.103 121.223 0.010 0.000 2.416 295 L HA 0.142 4.494 4.340 0.021 0.000 0.272 295 L C 1.832 178.677 176.870 -0.042 0.000 1.161 295 L CA -0.290 54.509 54.840 -0.068 0.000 0.845 295 L CB 0.032 42.005 42.059 -0.144 0.000 1.119 295 L HN 0.489 nan 8.230 nan 0.000 0.464 296 T N -1.656 112.865 114.554 -0.055 0.000 2.689 296 T HA 0.016 4.378 4.350 0.021 0.000 0.308 296 T C 0.929 175.606 174.700 -0.039 0.000 1.021 296 T CA -0.294 61.783 62.100 -0.038 0.000 0.973 296 T CB 1.079 69.923 68.868 -0.040 0.000 1.113 296 T HN 0.759 nan 8.240 nan 0.000 0.522 297 E N 0.013 120.195 120.200 -0.030 0.000 2.072 297 E HA -0.134 4.228 4.350 0.021 0.000 0.190 297 E C 1.966 178.544 176.600 -0.037 0.000 0.982 297 E CA 0.926 57.309 56.400 -0.027 0.000 0.803 297 E CB -0.080 29.608 29.700 -0.019 0.000 0.755 297 E HN 0.749 nan 8.360 nan 0.000 0.453 298 E N 0.664 120.840 120.200 -0.040 0.000 2.077 298 E HA -0.139 4.224 4.350 0.021 0.000 0.193 298 E C 1.856 178.419 176.600 -0.063 0.000 0.989 298 E CA 1.234 57.607 56.400 -0.045 0.000 0.800 298 E CB -0.287 29.388 29.700 -0.041 0.000 0.746 298 E HN 0.374 nan 8.360 nan 0.000 0.452 299 A N 0.912 123.686 122.820 -0.077 0.000 1.908 299 A HA -0.263 4.069 4.320 0.021 0.000 0.218 299 A C 2.165 179.671 177.584 -0.130 0.000 1.181 299 A CA 1.861 53.829 52.037 -0.115 0.000 0.627 299 A CB -0.523 18.396 19.000 -0.136 0.000 0.818 299 A HN 0.173 nan 8.150 nan 0.000 0.445 300 E N -0.579 119.561 120.200 -0.101 0.000 2.110 300 E HA -0.147 4.216 4.350 0.021 0.000 0.193 300 E C 1.774 178.335 176.600 -0.065 0.000 0.988 300 E CA 1.116 57.466 56.400 -0.083 0.000 0.804 300 E CB -0.296 29.378 29.700 -0.043 0.000 0.745 300 E HN 0.458 nan 8.360 nan 0.000 0.458 301 L N 0.827 122.017 121.223 -0.056 0.000 2.044 301 L HA -0.044 4.308 4.340 0.021 0.000 0.205 301 L C 2.155 178.991 176.870 -0.056 0.000 1.075 301 L CA 2.085 56.898 54.840 -0.046 0.000 0.747 301 L CB -0.852 41.184 42.059 -0.039 0.000 0.903 301 L HN 0.206 nan 8.230 nan 0.000 0.435 302 E N -0.502 119.658 120.200 -0.067 0.000 2.026 302 E HA -0.327 4.035 4.350 0.021 0.000 0.206 302 E C 2.231 178.783 176.600 -0.080 0.000 1.028 302 E CA 2.135 58.492 56.400 -0.071 0.000 0.845 302 E CB -0.476 29.175 29.700 -0.081 0.000 0.772 302 E HN 0.395 nan 8.360 nan 0.000 0.462 303 L N 0.742 121.901 121.223 -0.107 0.000 2.103 303 L HA -0.253 4.100 4.340 0.021 0.000 0.215 303 L C 2.145 178.973 176.870 -0.070 0.000 1.080 303 L CA 2.376 57.148 54.840 -0.115 0.000 0.764 303 L CB -0.691 41.260 42.059 -0.179 0.000 0.890 303 L HN 0.289 nan 8.230 nan 0.000 0.435 304 A N -0.957 121.829 122.820 -0.056 0.000 1.841 304 A HA -0.255 4.077 4.320 0.021 0.000 0.214 304 A C 2.320 179.879 177.584 -0.042 0.000 1.195 304 A CA 1.597 53.612 52.037 -0.036 0.000 0.611 304 A CB -0.816 18.167 19.000 -0.029 0.000 0.835 304 A HN 0.562 nan 8.150 nan 0.000 0.443 305 E N -0.176 119.996 120.200 -0.047 0.000 2.160 305 E HA -0.213 4.149 4.350 0.021 0.000 0.195 305 E C 1.619 178.181 176.600 -0.062 0.000 0.991 305 E CA 1.287 57.657 56.400 -0.049 0.000 0.810 305 E CB -0.082 29.590 29.700 -0.046 0.000 0.742 305 E HN 0.568 nan 8.360 nan 0.000 0.466 306 N N 0.401 119.059 118.700 -0.070 0.000 2.216 306 N HA -0.092 4.661 4.740 0.021 0.000 0.183 306 N C 1.644 177.091 175.510 -0.106 0.000 1.017 306 N CA 0.760 53.755 53.050 -0.091 0.000 0.861 306 N CB -0.198 38.239 38.487 -0.083 0.000 0.986 306 N HN 0.163 nan 8.380 nan 0.000 0.428 307 R N 0.915 121.372 120.500 -0.072 0.000 2.127 307 R HA -0.056 4.296 4.340 0.021 0.000 0.238 307 R C 1.578 177.832 176.300 -0.076 0.000 1.134 307 R CA 0.925 56.989 56.100 -0.060 0.000 0.975 307 R CB 0.037 30.323 30.300 -0.024 0.000 0.865 307 R HN 0.262 nan 8.270 nan 0.000 0.447 308 E N 0.428 120.586 120.200 -0.071 0.000 2.158 308 E HA -0.064 4.299 4.350 0.021 0.000 0.191 308 E C 2.002 178.548 176.600 -0.091 0.000 0.982 308 E CA 0.775 57.136 56.400 -0.065 0.000 0.823 308 E CB 0.052 29.724 29.700 -0.047 0.000 0.766 308 E HN 0.395 nan 8.360 nan 0.000 0.468 309 I N 0.914 121.410 120.570 -0.123 0.000 2.493 309 I HA -0.183 3.999 4.170 0.021 0.000 0.254 309 I C 2.029 177.946 176.117 -0.333 0.000 1.160 309 I CA 0.664 61.873 61.300 -0.153 0.000 1.445 309 I CB -0.107 37.810 38.000 -0.137 0.000 1.086 309 I HN 0.005 nan 8.210 nan 0.000 0.433 310 L N 0.250 121.226 121.223 -0.411 0.000 2.599 310 L HA -0.045 4.307 4.340 0.021 0.000 0.230 310 L C 1.688 178.413 176.870 -0.241 0.000 1.141 310 L CA 0.603 55.080 54.840 -0.605 0.000 0.877 310 L CB -0.329 41.483 42.059 -0.412 0.000 1.009 310 L HN 0.108 nan 8.230 nan 0.000 0.447 311 K N 0.219 120.543 120.400 -0.126 0.000 2.417 311 K HA 0.083 4.415 4.320 0.021 0.000 0.196 311 K C -0.044 176.564 176.600 0.014 0.000 1.023 311 K CA 0.027 56.293 56.287 -0.034 0.000 1.122 311 K CB 0.261 32.742 32.500 -0.032 0.000 0.850 311 K HN 0.297 nan 8.250 nan 0.000 0.521 312 E N 1.985 122.214 120.200 0.050 0.000 2.283 312 E HA 0.078 4.441 4.350 0.021 0.000 0.278 312 E C -2.259 174.465 176.600 0.207 0.000 1.027 312 E CA -2.064 54.415 56.400 0.131 0.000 0.843 312 E CB 0.831 30.641 29.700 0.183 0.000 1.062 312 E HN -0.023 nan 8.360 nan 0.000 0.401 313 P HA 0.067 nan 4.420 nan 0.000 0.231 313 P C -0.448 176.914 177.300 0.103 0.000 1.811 313 P CA -0.086 63.062 63.100 0.080 0.000 1.051 313 P CB -0.011 31.687 31.700 -0.004 0.000 1.951 314 V N 5.472 125.431 119.914 0.076 0.000 2.555 314 V HA 0.162 4.294 4.120 0.021 0.000 0.286 314 V C 0.891 176.934 176.094 -0.085 0.000 1.044 314 V CA 0.320 62.580 62.300 -0.067 0.000 1.026 314 V CB -0.077 31.530 31.823 -0.360 0.000 0.981 314 V HN 0.637 nan 8.190 nan 0.000 0.480 315 H N 2.711 121.525 119.070 -0.426 0.000 3.008 315 H HA 0.830 5.398 4.556 0.021 0.000 0.354 315 H C -0.420 174.170 175.328 -1.229 0.000 1.252 315 H CA -0.577 54.995 56.048 -0.792 0.000 1.117 315 H CB 2.087 31.559 29.762 -0.482 0.000 1.857 315 H HN 0.738 nan 8.280 nan 0.000 0.547 316 G N 0.053 107.487 108.800 -2.276 0.000 2.708 316 G HA2 0.552 4.525 3.960 0.021 0.000 0.289 316 G HA3 0.552 4.525 3.960 0.021 0.000 0.289 316 G C -0.379 173.845 174.900 -1.127 0.000 1.416 316 G CA -0.283 43.834 45.100 -1.638 0.000 0.829 316 G HN 0.776 nan 8.290 nan 0.000 0.480 317 V N -2.236 117.509 119.914 -0.281 0.000 3.503 317 V HA 0.801 4.933 4.120 0.021 0.000 0.294 317 V C -0.335 175.823 176.094 0.107 0.000 1.102 317 V CA -1.078 61.145 62.300 -0.128 0.000 0.979 317 V CB 0.919 32.755 31.823 0.021 0.000 1.240 317 V HN 0.603 nan 8.190 nan 0.000 0.444 318 Y N -1.267 119.235 120.300 0.338 0.000 2.654 318 Y HA 0.486 5.049 4.550 0.022 0.000 0.328 318 Y C -0.201 175.917 175.900 0.363 0.000 1.174 318 Y CA -1.377 56.943 58.100 0.368 0.000 1.293 318 Y CB 0.885 39.508 38.460 0.271 0.000 1.464 318 Y HN 0.687 nan 8.280 nan 0.000 0.559 319 Y N 1.663 122.227 120.300 0.439 0.000 2.436 319 Y HA 0.183 4.745 4.550 0.020 0.000 0.343 319 Y C -0.434 175.573 175.900 0.179 0.000 1.008 319 Y CA -0.506 57.773 58.100 0.299 0.000 1.241 319 Y CB 0.355 39.053 38.460 0.398 0.000 1.153 319 Y HN 0.496 nan 8.280 nan 0.000 0.521 320 D N 9.613 129.805 120.400 -0.348 0.000 2.485 320 D HA 0.211 4.864 4.640 0.021 0.000 0.229 320 D C -1.763 174.100 176.300 -0.729 0.000 1.101 320 D CA -2.707 51.056 54.000 -0.396 0.000 0.906 320 D CB 1.257 41.964 40.800 -0.156 0.000 1.019 320 D HN 0.325 nan 8.370 nan 0.000 0.516 321 P HA -0.203 nan 4.420 nan 0.000 0.218 321 P C 1.055 178.187 177.300 -0.281 0.000 1.146 321 P CA 0.880 63.563 63.100 -0.694 0.000 0.813 321 P CB 0.076 31.579 31.700 -0.329 0.000 0.778 322 S N -2.140 113.429 115.700 -0.219 0.000 2.603 322 S HA 0.025 4.507 4.470 0.021 0.000 0.229 322 S C 0.829 175.360 174.600 -0.114 0.000 0.972 322 S CA 0.180 58.306 58.200 -0.124 0.000 0.935 322 S CB -0.600 62.545 63.200 -0.091 0.000 0.769 322 S HN 0.171 nan 8.310 nan 0.000 0.536 323 K N 1.027 121.336 120.400 -0.152 0.000 2.281 323 K HA 0.370 4.703 4.320 0.021 0.000 0.242 323 K C -0.879 175.650 176.600 -0.118 0.000 0.971 323 K CA -0.946 55.271 56.287 -0.117 0.000 0.834 323 K CB 0.801 33.237 32.500 -0.105 0.000 1.181 323 K HN 0.046 nan 8.250 nan 0.000 0.435 324 D N 1.152 121.487 120.400 -0.109 0.000 2.406 324 D HA -0.009 4.643 4.640 0.021 0.000 0.234 324 D C -0.762 175.420 176.300 -0.197 0.000 1.196 324 D CA 0.372 54.291 54.000 -0.135 0.000 0.881 324 D CB 0.639 41.360 40.800 -0.130 0.000 1.205 324 D HN 0.057 nan 8.370 nan 0.000 0.453 325 L N 3.077 124.148 121.223 -0.253 0.000 2.342 325 L HA 0.431 4.784 4.340 0.021 0.000 0.276 325 L C -0.800 175.798 176.870 -0.454 0.000 0.997 325 L CA -0.291 54.312 54.840 -0.395 0.000 0.838 325 L CB 0.938 42.739 42.059 -0.430 0.000 1.224 325 L HN 0.245 nan 8.230 nan 0.000 0.416 326 I N 4.062 124.278 120.570 -0.590 0.000 2.509 326 I HA 0.759 4.941 4.170 0.021 0.000 0.293 326 I C -0.325 175.373 176.117 -0.697 0.000 1.020 326 I CA -0.731 60.165 61.300 -0.674 0.000 1.088 326 I CB 2.104 39.604 38.000 -0.834 0.000 1.267 326 I HN 0.675 nan 8.210 nan 0.000 0.430 327 A N 5.152 127.657 122.820 -0.525 0.000 2.357 327 A HA 0.562 4.894 4.320 0.021 0.000 0.295 327 A C -0.794 176.770 177.584 -0.034 0.000 1.121 327 A CA -0.481 51.376 52.037 -0.300 0.000 0.742 327 A CB 1.127 19.833 19.000 -0.489 0.000 1.181 327 A HN 0.764 nan 8.150 nan 0.000 0.454 328 E N 2.585 122.883 120.200 0.163 0.000 2.191 328 E HA 0.684 5.047 4.350 0.021 0.000 0.274 328 E C -1.147 175.596 176.600 0.239 0.000 0.948 328 E CA -0.466 56.067 56.400 0.222 0.000 0.802 328 E CB 1.067 30.928 29.700 0.269 0.000 1.137 328 E HN 0.646 nan 8.360 nan 0.000 0.397 329 I N 2.813 123.510 120.570 0.212 0.000 2.646 329 I HA 0.311 4.494 4.170 0.021 0.000 0.299 329 I C -0.765 175.481 176.117 0.215 0.000 1.036 329 I CA -0.908 60.528 61.300 0.227 0.000 1.074 329 I CB 2.042 40.145 38.000 0.171 0.000 1.258 329 I HN 0.476 nan 8.210 nan 0.000 0.430 330 Q N 3.503 123.451 119.800 0.247 0.000 2.423 330 Q HA 0.427 4.780 4.340 0.021 0.000 0.278 330 Q C -0.951 175.180 176.000 0.219 0.000 1.097 330 Q CA -0.915 55.003 55.803 0.191 0.000 0.809 330 Q CB 2.497 31.290 28.738 0.091 0.000 1.391 330 Q HN 0.312 nan 8.270 nan 0.000 0.428 331 K N 1.841 122.279 120.400 0.063 0.000 2.299 331 K HA 0.132 4.465 4.320 0.021 0.000 0.268 331 K C 0.144 176.629 176.600 -0.193 0.000 1.075 331 K CA 0.024 56.161 56.287 -0.251 0.000 0.936 331 K CB 0.735 33.006 32.500 -0.382 0.000 1.228 331 K HN 0.767 nan 8.250 nan 0.000 0.454 332 Q N 2.340 122.028 119.800 -0.187 0.000 2.172 332 Q HA -0.011 4.342 4.340 0.021 0.000 0.200 332 Q C 0.235 176.146 176.000 -0.147 0.000 0.964 332 Q CA 1.055 56.782 55.803 -0.126 0.000 0.855 332 Q CB 0.332 29.015 28.738 -0.092 0.000 0.918 332 Q HN 0.830 nan 8.270 nan 0.000 0.444 333 G N -0.345 108.316 108.800 -0.232 0.000 2.548 333 G HA2 0.113 4.085 3.960 0.021 0.000 0.301 333 G HA3 0.113 4.085 3.960 0.021 0.000 0.301 333 G C -1.908 172.822 174.900 -0.284 0.000 1.349 333 G CA -0.813 44.171 45.100 -0.193 0.000 0.792 333 G HN 0.165 nan 8.290 nan 0.000 0.481 334 Q N -0.075 119.603 119.800 -0.203 0.000 2.271 334 Q HA 0.413 4.765 4.340 0.021 0.000 0.273 334 Q C 1.309 177.182 176.000 -0.211 0.000 1.051 334 Q CA 1.279 56.956 55.803 -0.210 0.000 0.901 334 Q CB 0.234 28.877 28.738 -0.158 0.000 1.174 334 Q HN 1.988 nan 8.270 nan 0.000 0.385 335 G N 3.392 112.035 108.800 -0.261 0.000 2.184 335 G HA2 -0.316 3.657 3.960 0.021 0.000 0.264 335 G HA3 -0.316 3.657 3.960 0.021 0.000 0.264 335 G C -0.057 174.749 174.900 -0.157 0.000 0.975 335 G CA 0.394 45.435 45.100 -0.098 0.000 0.642 335 G HN 0.618 nan 8.290 nan 0.000 0.536 336 Q N -0.662 118.899 119.800 -0.398 0.000 2.325 336 Q HA 0.558 4.910 4.340 0.021 0.000 0.262 336 Q C -0.996 174.772 176.000 -0.386 0.000 0.968 336 Q CA -0.720 54.946 55.803 -0.227 0.000 0.877 336 Q CB 0.895 29.545 28.738 -0.148 0.000 1.253 336 Q HN 0.409 nan 8.270 nan 0.000 0.448 337 W N 1.496 122.850 121.300 0.089 0.000 2.702 337 W HA 0.452 5.125 4.660 0.021 0.000 0.331 337 W C -0.131 176.400 176.519 0.021 0.000 1.049 337 W CA -0.670 56.725 57.345 0.082 0.000 1.230 337 W CB 1.787 31.340 29.460 0.155 0.000 1.408 337 W HN 0.429 nan 8.180 nan 0.000 0.492 338 T N -0.027 114.663 114.554 0.227 0.000 2.912 338 T HA 0.821 5.184 4.350 0.021 0.000 0.288 338 T C -1.179 173.608 174.700 0.145 0.000 1.030 338 T CA -0.687 61.443 62.100 0.049 0.000 1.020 338 T CB 1.804 70.658 68.868 -0.023 0.000 1.056 338 T HN 0.510 nan 8.240 nan 0.000 0.480 339 Y N -0.562 119.718 120.300 -0.032 0.000 2.609 339 Y HA 0.694 5.256 4.550 0.018 0.000 0.336 339 Y C -1.590 174.321 175.900 0.017 0.000 1.129 339 Y CA -1.290 56.816 58.100 0.011 0.000 1.040 339 Y CB 1.544 40.005 38.460 0.001 0.000 1.310 339 Y HN 0.859 nan 8.280 nan 0.000 0.460 340 Q N 3.363 123.328 119.800 0.276 0.000 2.315 340 Q HA 0.587 4.939 4.340 0.021 0.000 0.273 340 Q C -1.809 174.399 176.000 0.347 0.000 1.053 340 Q CA -0.796 55.143 55.803 0.228 0.000 0.817 340 Q CB 3.081 31.906 28.738 0.145 0.000 1.326 340 Q HN 0.928 nan 8.270 nan 0.000 0.423 341 I N 3.559 124.314 120.570 0.309 0.000 2.382 341 I HA 0.433 4.616 4.170 0.021 0.000 0.285 341 I C -1.073 175.128 176.117 0.141 0.000 1.007 341 I CA -0.982 60.396 61.300 0.130 0.000 1.142 341 I CB 0.701 38.798 38.000 0.162 0.000 1.289 341 I HN 0.642 nan 8.210 nan 0.000 0.453 342 Y N 3.171 123.456 120.300 -0.026 0.000 2.576 342 Y HA 0.518 5.080 4.550 0.020 0.000 0.346 342 Y C 0.313 176.167 175.900 -0.077 0.000 1.018 342 Y CA -0.954 57.138 58.100 -0.015 0.000 1.050 342 Y CB 1.164 39.637 38.460 0.022 0.000 1.280 342 Y HN 0.396 nan 8.280 nan 0.000 0.474 343 Q N 0.738 120.561 119.800 0.039 0.000 2.324 343 Q HA 0.096 4.448 4.340 0.021 0.000 0.207 343 Q C -0.658 175.379 176.000 0.060 0.000 0.928 343 Q CA 0.824 56.592 55.803 -0.057 0.000 0.890 343 Q CB 0.603 29.319 28.738 -0.036 0.000 1.001 343 Q HN 0.836 nan 8.270 nan 0.000 0.517 344 E N 1.002 121.311 120.200 0.181 0.000 2.256 344 E HA 0.415 4.777 4.350 0.021 0.000 0.268 344 E C -2.795 173.888 176.600 0.138 0.000 0.877 344 E CA -2.660 53.819 56.400 0.131 0.000 0.757 344 E CB 1.561 31.273 29.700 0.020 0.000 1.183 344 E HN -0.243 nan 8.360 nan 0.000 0.418 345 P HA -0.202 nan 4.420 nan 0.000 0.263 345 P C -0.184 176.953 177.300 -0.270 0.000 1.145 345 P CA 1.148 64.024 63.100 -0.372 0.000 0.755 345 P CB -0.167 31.162 31.700 -0.618 0.000 0.746 346 F N -0.830 118.876 119.950 -0.406 0.000 2.732 346 F HA -0.321 4.218 4.527 0.019 0.000 0.443 346 F C 0.837 176.512 175.800 -0.209 0.000 0.572 346 F CA 0.517 58.353 58.000 -0.274 0.000 1.050 346 F CB -1.153 37.739 39.000 -0.179 0.000 1.665 346 F HN 0.376 nan 8.300 nan 0.000 0.278 347 K N 2.290 122.711 120.400 0.036 0.000 2.319 347 K HA 0.211 4.543 4.320 0.021 0.000 0.237 347 K C -0.006 176.647 176.600 0.087 0.000 1.113 347 K CA -0.369 55.922 56.287 0.007 0.000 1.072 347 K CB 0.268 32.783 32.500 0.026 0.000 1.734 347 K HN 0.085 nan 8.250 nan 0.000 0.429 348 N N 1.645 120.379 118.700 0.057 0.000 2.415 348 N HA 0.073 4.825 4.740 0.021 0.000 0.248 348 N C 1.000 176.699 175.510 0.315 0.000 1.271 348 N CA 0.127 53.302 53.050 0.208 0.000 0.913 348 N CB 1.042 39.627 38.487 0.164 0.000 1.129 348 N HN 0.290 nan 8.380 nan 0.000 0.444 349 L N -0.453 121.021 121.223 0.418 0.000 2.467 349 L HA 0.265 4.617 4.340 0.021 0.000 0.213 349 L C 0.764 177.958 176.870 0.541 0.000 1.053 349 L CA 0.427 55.608 54.840 0.570 0.000 0.847 349 L CB 0.214 42.592 42.059 0.532 0.000 1.075 349 L HN 0.495 nan 8.230 nan 0.000 0.479 350 K N 0.209 120.854 120.400 0.408 0.000 2.562 350 K HA 0.409 4.741 4.320 0.021 0.000 0.267 350 K C -1.396 175.308 176.600 0.174 0.000 0.938 350 K CA -0.406 56.023 56.287 0.238 0.000 0.840 350 K CB 2.257 34.801 32.500 0.075 0.000 1.390 350 K HN -0.021 nan 8.250 nan 0.000 0.428 351 T N -0.788 113.768 114.554 0.004 0.000 2.896 351 T HA 0.887 5.250 4.350 0.021 0.000 0.297 351 T C -0.174 174.176 174.700 -0.584 0.000 1.108 351 T CA -0.694 61.255 62.100 -0.252 0.000 1.004 351 T CB 1.951 70.715 68.868 -0.172 0.000 1.159 351 T HN 0.736 nan 8.240 nan 0.000 0.499 352 G N 0.103 108.195 108.800 -1.181 0.000 2.623 352 G HA2 0.637 4.610 3.960 0.021 0.000 0.290 352 G HA3 0.637 4.610 3.960 0.021 0.000 0.290 352 G C -2.111 172.258 174.900 -0.884 0.000 1.437 352 G CA -1.024 43.401 45.100 -1.124 0.000 0.798 352 G HN 0.824 nan 8.290 nan 0.000 0.488 353 K N -0.203 119.897 120.400 -0.500 0.000 2.525 353 K HA 0.572 4.905 4.320 0.021 0.000 0.254 353 K C -1.872 174.656 176.600 -0.119 0.000 0.934 353 K CA -0.798 55.335 56.287 -0.258 0.000 0.802 353 K CB 1.963 34.382 32.500 -0.134 0.000 1.295 353 K HN 0.404 nan 8.250 nan 0.000 0.433 354 Y N 1.379 121.799 120.300 0.200 0.000 2.331 354 Y HA 0.414 4.977 4.550 0.020 0.000 0.338 354 Y C 0.445 176.437 175.900 0.154 0.000 0.976 354 Y CA -0.971 57.243 58.100 0.191 0.000 1.137 354 Y CB 1.746 40.346 38.460 0.234 0.000 1.172 354 Y HN 0.694 nan 8.280 nan 0.000 0.478 355 A N 3.595 126.580 122.820 0.276 0.000 2.565 355 A HA 0.177 4.509 4.320 0.021 0.000 0.237 355 A C 0.587 178.265 177.584 0.157 0.000 1.053 355 A CA -0.440 51.695 52.037 0.163 0.000 0.755 355 A CB -0.129 18.945 19.000 0.123 0.000 0.980 355 A HN 0.816 nan 8.150 nan 0.000 0.506 356 R N 2.520 123.079 120.500 0.098 0.000 2.500 356 R HA 0.071 4.423 4.340 0.021 0.000 0.281 356 R C -0.257 176.092 176.300 0.081 0.000 0.953 356 R CA 1.083 57.227 56.100 0.074 0.000 1.108 356 R CB -0.249 30.061 30.300 0.018 0.000 0.901 356 R HN 0.672 nan 8.270 nan 0.000 0.410 357 M N 5.167 124.826 119.600 0.099 0.000 2.209 357 M HA 0.308 4.800 4.480 0.021 0.000 0.355 357 M C 0.037 176.367 176.300 0.050 0.000 1.171 357 M CA -0.490 54.855 55.300 0.074 0.000 1.069 357 M CB 1.483 34.134 32.600 0.085 0.000 1.622 357 M HN 0.448 nan 8.290 nan 0.000 0.459 358 R N 2.904 123.422 120.500 0.031 0.000 3.070 358 R HA 0.294 4.647 4.340 0.021 0.000 0.252 358 R C 0.199 176.504 176.300 0.008 0.000 1.370 358 R CA -0.259 55.851 56.100 0.017 0.000 1.482 358 R CB 0.059 30.365 30.300 0.010 0.000 1.220 358 R HN 0.824 nan 8.270 nan 0.000 0.622 359 G N -0.030 108.776 108.800 0.011 0.000 2.616 359 G HA2 0.282 4.254 3.960 0.021 0.000 0.268 359 G HA3 0.282 4.254 3.960 0.021 0.000 0.268 359 G C 0.874 175.739 174.900 -0.057 0.000 1.213 359 G CA -0.089 44.999 45.100 -0.020 0.000 0.926 359 G HN 0.436 nan 8.290 nan 0.000 0.523 360 A N -0.348 122.368 122.820 -0.175 0.000 2.066 360 A HA 0.340 4.672 4.320 0.021 0.000 0.218 360 A C 0.738 178.223 177.584 -0.164 0.000 1.157 360 A CA 1.855 53.761 52.037 -0.219 0.000 0.670 360 A CB -0.486 18.292 19.000 -0.369 0.000 0.804 360 A HN 1.350 nan 8.150 nan 0.000 0.453 361 H N -4.984 114.158 119.070 0.119 0.000 3.041 361 H HA 0.578 5.146 4.556 0.020 0.000 0.293 361 H C -0.683 174.737 175.328 0.153 0.000 1.166 361 H CA -0.246 55.883 56.048 0.136 0.000 1.529 361 H CB -0.188 29.664 29.762 0.150 0.000 2.050 361 H HN 0.214 nan 8.280 nan 0.000 0.505 362 T N 1.099 115.830 114.554 0.296 0.000 2.654 362 T HA 0.497 4.859 4.350 0.021 0.000 0.303 362 T C -1.736 173.078 174.700 0.191 0.000 1.656 362 T CA -0.396 61.864 62.100 0.266 0.000 0.971 362 T CB 1.145 70.125 68.868 0.187 0.000 1.811 362 T HN 1.199 nan 8.240 nan 0.000 0.483 363 N N 0.025 118.806 118.700 0.135 0.000 2.571 363 N HA 0.535 5.287 4.740 0.021 0.000 0.273 363 N C -0.056 175.464 175.510 0.016 0.000 1.340 363 N CA -0.740 52.350 53.050 0.067 0.000 0.789 363 N CB 0.927 39.439 38.487 0.041 0.000 1.514 363 N HN 0.350 nan 8.380 nan 0.000 0.499 364 D N -0.158 120.287 120.400 0.075 0.000 2.117 364 D HA -0.109 4.544 4.640 0.021 0.000 0.197 364 D C 1.740 178.040 176.300 -0.001 0.000 0.987 364 D CA 1.117 55.223 54.000 0.177 0.000 0.829 364 D CB -0.243 40.743 40.800 0.311 0.000 0.961 364 D HN 0.373 nan 8.370 nan 0.000 0.460 365 V N 0.924 120.642 119.914 -0.326 0.000 2.332 365 V HA -0.261 3.871 4.120 0.021 0.000 0.248 365 V C 2.341 177.997 176.094 -0.731 0.000 1.055 365 V CA 1.560 63.485 62.300 -0.625 0.000 1.038 365 V CB -0.489 30.622 31.823 -1.187 0.000 0.651 365 V HN 0.095 nan 8.190 nan 0.000 0.450 366 K N 0.731 120.680 120.400 -0.752 0.000 2.002 366 K HA -0.188 4.145 4.320 0.021 0.000 0.209 366 K C 2.195 178.647 176.600 -0.247 0.000 1.048 366 K CA 1.723 57.761 56.287 -0.416 0.000 0.930 366 K CB -0.604 31.811 32.500 -0.143 0.000 0.714 366 K HN 0.488 nan 8.250 nan 0.000 0.438 367 Q N 0.037 119.760 119.800 -0.129 0.000 2.234 367 Q HA -0.165 4.188 4.340 0.021 0.000 0.206 367 Q C 2.073 177.754 176.000 -0.533 0.000 0.980 367 Q CA 1.347 57.096 55.803 -0.089 0.000 0.869 367 Q CB -0.186 28.755 28.738 0.339 0.000 0.912 367 Q HN 0.384 nan 8.270 nan 0.000 0.436 368 L N 0.652 121.494 121.223 -0.635 0.000 2.056 368 L HA -0.174 4.179 4.340 0.021 0.000 0.207 368 L C 2.605 178.995 176.870 -0.800 0.000 1.078 368 L CA 1.922 56.153 54.840 -1.014 0.000 0.749 368 L CB -0.617 41.033 42.059 -0.682 0.000 0.901 368 L HN 0.404 nan 8.230 nan 0.000 0.433 369 T N -3.759 110.450 114.554 -0.575 0.000 2.867 369 T HA -0.200 4.163 4.350 0.021 0.000 0.268 369 T C 1.544 175.981 174.700 -0.439 0.000 1.057 369 T CA 1.215 63.013 62.100 -0.505 0.000 1.136 369 T CB -0.344 68.376 68.868 -0.247 0.000 0.874 369 T HN 0.420 nan 8.240 nan 0.000 0.466 370 E N 1.427 121.399 120.200 -0.379 0.000 2.110 370 E HA -0.001 4.362 4.350 0.021 0.000 0.193 370 E C 2.640 179.002 176.600 -0.397 0.000 0.988 370 E CA 1.005 57.215 56.400 -0.317 0.000 0.804 370 E CB -0.340 29.219 29.700 -0.234 0.000 0.745 370 E HN 0.715 nan 8.360 nan 0.000 0.458 371 A N 0.983 123.492 122.820 -0.518 0.000 1.873 371 A HA -0.128 4.205 4.320 0.021 0.000 0.215 371 A C 2.508 179.894 177.584 -0.331 0.000 1.186 371 A CA 1.027 52.834 52.037 -0.384 0.000 0.616 371 A CB -0.671 18.009 19.000 -0.533 0.000 0.823 371 A HN 0.109 nan 8.150 nan 0.000 0.442 372 V N 0.600 120.187 119.914 -0.544 0.000 2.392 372 V HA -0.284 3.848 4.120 0.021 0.000 0.249 372 V C 2.802 178.619 176.094 -0.462 0.000 1.059 372 V CA 2.287 64.147 62.300 -0.732 0.000 1.051 372 V CB -0.667 30.506 31.823 -1.082 0.000 0.658 372 V HN 0.762 nan 8.190 nan 0.000 0.455 373 Q N 0.355 119.937 119.800 -0.364 0.000 2.187 373 Q HA -0.165 4.187 4.340 0.021 0.000 0.199 373 Q C 2.161 178.065 176.000 -0.160 0.000 0.957 373 Q CA 1.485 57.155 55.803 -0.222 0.000 0.857 373 Q CB -0.007 28.619 28.738 -0.187 0.000 0.929 373 Q HN 0.628 nan 8.270 nan 0.000 0.453 374 K N 0.080 120.354 120.400 -0.211 0.000 2.155 374 K HA 0.031 4.363 4.320 0.021 0.000 0.203 374 K C 2.226 178.779 176.600 -0.078 0.000 1.052 374 K CA 0.976 57.148 56.287 -0.192 0.000 0.948 374 K CB 0.092 32.331 32.500 -0.435 0.000 0.728 374 K HN 0.206 nan 8.250 nan 0.000 0.448 375 I N 0.838 121.370 120.570 -0.064 0.000 2.252 375 I HA -0.241 3.941 4.170 0.021 0.000 0.245 375 I C 2.041 178.174 176.117 0.027 0.000 1.102 375 I CA 1.195 62.450 61.300 -0.074 0.000 1.385 375 I CB -0.470 37.467 38.000 -0.105 0.000 1.064 375 I HN 0.167 nan 8.210 nan 0.000 0.414 376 T N 0.190 114.795 114.554 0.085 0.000 2.684 376 T HA -0.174 4.189 4.350 0.021 0.000 0.267 376 T C 1.897 176.621 174.700 0.039 0.000 1.036 376 T CA 2.113 64.274 62.100 0.102 0.000 1.148 376 T CB -0.337 68.577 68.868 0.076 0.000 0.863 376 T HN 0.351 nan 8.240 nan 0.000 0.436 377 T N 1.666 116.221 114.554 0.001 0.000 2.821 377 T HA -0.053 4.310 4.350 0.021 0.000 0.267 377 T C 1.919 176.604 174.700 -0.025 0.000 1.046 377 T CA 1.027 63.120 62.100 -0.011 0.000 1.139 377 T CB -0.193 68.659 68.868 -0.027 0.000 0.871 377 T HN 0.494 nan 8.240 nan 0.000 0.454 378 E N 0.895 121.077 120.200 -0.030 0.000 2.023 378 E HA -0.122 4.241 4.350 0.021 0.000 0.196 378 E C 2.606 179.138 176.600 -0.113 0.000 1.003 378 E CA 1.407 57.767 56.400 -0.067 0.000 0.809 378 E CB -0.097 29.576 29.700 -0.045 0.000 0.755 378 E HN 0.354 nan 8.360 nan 0.000 0.449 379 S N 1.041 116.734 115.700 -0.012 0.000 2.369 379 S HA -0.245 4.238 4.470 0.021 0.000 0.225 379 S C 2.051 176.688 174.600 0.061 0.000 1.043 379 S CA 1.408 59.695 58.200 0.144 0.000 1.074 379 S CB -0.492 62.853 63.200 0.242 0.000 0.962 379 S HN 0.236 nan 8.310 nan 0.000 0.433 380 I N 1.205 121.800 120.570 0.042 0.000 2.185 380 I HA -0.211 3.972 4.170 0.021 0.000 0.246 380 I C 2.187 178.278 176.117 -0.043 0.000 1.088 380 I CA 1.086 62.399 61.300 0.022 0.000 1.347 380 I CB -0.527 37.487 38.000 0.024 0.000 1.041 380 I HN 0.169 nan 8.210 nan 0.000 0.415 381 V N 0.855 120.712 119.914 -0.094 0.000 2.323 381 V HA -0.238 3.895 4.120 0.021 0.000 0.244 381 V C 2.210 178.165 176.094 -0.232 0.000 1.041 381 V CA 1.741 63.963 62.300 -0.130 0.000 1.025 381 V CB -0.336 31.415 31.823 -0.120 0.000 0.656 381 V HN 0.318 nan 8.190 nan 0.000 0.451 382 I N -1.464 118.862 120.570 -0.406 0.000 2.193 382 I HA -0.175 4.008 4.170 0.021 0.000 0.240 382 I C 2.208 177.855 176.117 -0.782 0.000 1.084 382 I CA 1.715 62.562 61.300 -0.754 0.000 1.365 382 I CB -0.274 36.881 38.000 -1.408 0.000 1.064 382 I HN 0.393 nan 8.210 nan 0.000 0.410 383 W N 0.045 121.199 121.300 -0.244 0.000 2.975 383 W HA 0.344 5.016 4.660 0.020 0.000 0.316 383 W C 1.573 178.000 176.519 -0.153 0.000 1.131 383 W CA 0.721 57.871 57.345 -0.325 0.000 1.624 383 W CB -0.343 28.826 29.460 -0.484 0.000 1.038 383 W HN 0.359 nan 8.180 nan 0.000 0.571 384 G N 1.713 110.558 108.800 0.075 0.000 2.155 384 G HA2 -0.303 3.670 3.960 0.021 0.000 0.257 384 G HA3 -0.303 3.670 3.960 0.021 0.000 0.257 384 G C 0.276 175.229 174.900 0.089 0.000 0.983 384 G CA 0.746 45.883 45.100 0.062 0.000 0.676 384 G HN 0.261 nan 8.290 nan 0.000 0.528 385 K N -0.606 119.868 120.400 0.123 0.000 2.378 385 K HA 0.739 5.071 4.320 0.021 0.000 0.244 385 K C -0.150 176.493 176.600 0.071 0.000 1.039 385 K CA -0.220 56.119 56.287 0.087 0.000 0.863 385 K CB 1.732 34.275 32.500 0.073 0.000 1.326 385 K HN 0.315 nan 8.250 nan 0.000 0.460 386 T N -0.689 113.881 114.554 0.027 0.000 2.841 386 T HA 0.513 4.875 4.350 0.021 0.000 0.283 386 T C -2.614 172.015 174.700 -0.119 0.000 1.000 386 T CA -2.028 60.071 62.100 -0.001 0.000 0.977 386 T CB 1.456 70.357 68.868 0.055 0.000 0.979 386 T HN 0.136 nan 8.240 nan 0.000 0.446 387 P HA 0.311 nan 4.420 nan 0.000 0.274 387 P C -0.673 176.323 177.300 -0.507 0.000 1.260 387 P CA -0.681 62.124 63.100 -0.491 0.000 0.793 387 P CB 0.442 31.704 31.700 -0.730 0.000 1.048 388 K N 0.809 120.943 120.400 -0.444 0.000 2.211 388 K HA 0.393 4.726 4.320 0.021 0.000 0.275 388 K C -0.620 175.781 176.600 -0.332 0.000 1.024 388 K CA -0.284 55.849 56.287 -0.256 0.000 0.887 388 K CB 0.527 32.925 32.500 -0.170 0.000 1.084 388 K HN 0.306 nan 8.250 nan 0.000 0.463 389 F N 1.867 121.790 119.950 -0.044 0.000 2.385 389 F HA 0.272 4.810 4.527 0.018 0.000 0.336 389 F C 0.646 176.491 175.800 0.075 0.000 1.100 389 F CA -0.473 57.514 58.000 -0.022 0.000 1.116 389 F CB 1.181 40.130 39.000 -0.086 0.000 1.166 389 F HN 0.157 nan 8.300 nan 0.000 0.511 390 K N 5.034 125.587 120.400 0.254 0.000 2.464 390 K HA 0.519 4.851 4.320 0.021 0.000 0.252 390 K C -1.374 175.351 176.600 0.209 0.000 1.000 390 K CA -0.341 56.075 56.287 0.215 0.000 0.951 390 K CB 1.141 33.727 32.500 0.144 0.000 1.183 390 K HN 0.501 nan 8.250 nan 0.000 0.445 391 L N 4.159 125.522 121.223 0.233 0.000 2.346 391 L HA 0.446 4.799 4.340 0.021 0.000 0.276 391 L C -1.885 175.099 176.870 0.190 0.000 1.006 391 L CA -2.251 52.641 54.840 0.086 0.000 0.817 391 L CB 1.764 43.668 42.059 -0.258 0.000 1.272 391 L HN 0.375 nan 8.230 nan 0.000 0.421 392 P HA 0.098 nan 4.420 nan 0.000 0.249 392 P C -0.505 176.981 177.300 0.310 0.000 1.686 392 P CA 0.641 63.880 63.100 0.231 0.000 0.873 392 P CB 0.157 31.962 31.700 0.174 0.000 1.828 393 I N -0.798 120.010 120.570 0.397 0.000 2.692 393 I HA 0.240 4.422 4.170 0.021 0.000 0.293 393 I C -0.592 175.671 176.117 0.245 0.000 1.200 393 I CA -1.074 60.360 61.300 0.224 0.000 1.036 393 I CB 2.914 40.913 38.000 -0.002 0.000 1.258 393 I HN -0.144 nan 8.210 nan 0.000 0.421 394 Q N 5.092 124.825 119.800 -0.113 0.000 2.417 394 Q HA 0.201 4.554 4.340 0.021 0.000 0.241 394 Q C 0.476 176.595 176.000 0.197 0.000 1.008 394 Q CA -0.488 55.108 55.803 -0.345 0.000 0.901 394 Q CB 1.184 29.657 28.738 -0.441 0.000 1.259 394 Q HN 0.490 nan 8.270 nan 0.000 0.489 395 K N 1.537 122.050 120.400 0.188 0.000 2.217 395 K HA -0.168 4.164 4.320 0.021 0.000 0.202 395 K C 1.662 178.461 176.600 0.331 0.000 1.051 395 K CA 1.471 57.977 56.287 0.366 0.000 0.952 395 K CB 0.125 32.677 32.500 0.086 0.000 0.736 395 K HN 0.697 nan 8.250 nan 0.000 0.453 396 E N 0.084 120.376 120.200 0.153 0.000 2.107 396 E HA -0.082 4.281 4.350 0.021 0.000 0.191 396 E C 1.572 178.257 176.600 0.142 0.000 0.982 396 E CA 1.237 57.707 56.400 0.115 0.000 0.809 396 E CB -0.425 29.296 29.700 0.034 0.000 0.756 396 E HN -0.036 nan 8.360 nan 0.000 0.459 397 T N 1.071 115.714 114.554 0.149 0.000 2.643 397 T HA -0.211 4.151 4.350 0.021 0.000 0.264 397 T C 1.262 176.135 174.700 0.289 0.000 1.045 397 T CA 1.301 63.492 62.100 0.153 0.000 1.155 397 T CB -0.696 68.229 68.868 0.094 0.000 0.863 397 T HN 0.449 nan 8.240 nan 0.000 0.420 398 W N 2.124 123.553 121.300 0.214 0.000 2.318 398 W HA -0.254 4.416 4.660 0.017 0.000 0.313 398 W C 2.157 178.983 176.519 0.512 0.000 1.221 398 W CA 1.877 59.419 57.345 0.330 0.000 1.266 398 W CB -0.251 29.439 29.460 0.383 0.000 1.150 398 W HN 0.290 nan 8.180 nan 0.000 0.496 399 E N 0.163 120.567 120.200 0.340 0.000 2.038 399 E HA -0.211 4.151 4.350 0.021 0.000 0.195 399 E C 2.159 178.661 176.600 -0.162 0.000 1.000 399 E CA 3.078 59.539 56.400 0.101 0.000 0.803 399 E CB -0.732 29.064 29.700 0.161 0.000 0.750 399 E HN 0.055 nan 8.360 nan 0.000 0.448 400 T N -0.493 114.042 114.554 -0.031 0.000 2.833 400 T HA -0.158 4.205 4.350 0.021 0.000 0.269 400 T C 1.159 175.819 174.700 -0.066 0.000 1.054 400 T CA 1.334 63.397 62.100 -0.063 0.000 1.135 400 T CB -0.404 68.472 68.868 0.013 0.000 0.869 400 T HN 0.412 nan 8.240 nan 0.000 0.466 401 W N 0.500 121.685 121.300 -0.191 0.000 2.501 401 W HA 0.054 4.730 4.660 0.026 0.000 0.309 401 W C 2.115 178.479 176.519 -0.258 0.000 1.165 401 W CA 0.541 57.770 57.345 -0.193 0.000 1.381 401 W CB -0.669 28.698 29.460 -0.154 0.000 1.142 401 W HN 0.361 nan 8.180 nan 0.000 0.509 402 W N 2.303 123.237 121.300 -0.610 0.000 2.335 402 W HA -0.231 4.439 4.660 0.018 0.000 0.311 402 W C 2.383 178.563 176.519 -0.565 0.000 1.213 402 W CA 3.717 60.542 57.345 -0.867 0.000 1.274 402 W CB -1.249 27.452 29.460 -1.265 0.000 1.148 402 W HN -0.016 nan 8.180 nan 0.000 0.498 403 T N -1.460 112.312 114.554 -1.304 0.000 2.778 403 T HA -0.248 4.114 4.350 0.021 0.000 0.269 403 T C 1.444 175.796 174.700 -0.581 0.000 1.050 403 T CA 1.947 63.365 62.100 -1.136 0.000 1.137 403 T CB -0.388 67.910 68.868 -0.949 0.000 0.860 403 T HN 0.237 nan 8.240 nan 0.000 0.468 404 E N -0.510 119.401 120.200 -0.481 0.000 2.389 404 E HA 0.278 4.640 4.350 0.021 0.000 0.199 404 E C -0.087 176.351 176.600 -0.271 0.000 0.978 404 E CA -0.410 55.803 56.400 -0.312 0.000 0.912 404 E CB -0.139 29.422 29.700 -0.232 0.000 0.907 404 E HN 0.629 nan 8.360 nan 0.000 0.494 405 Y N 1.934 121.850 120.300 -0.640 0.000 2.717 405 Y HA -0.159 4.405 4.550 0.024 0.000 0.330 405 Y C 1.334 176.998 175.900 -0.394 0.000 1.217 405 Y CA -0.196 57.514 58.100 -0.651 0.000 1.506 405 Y CB 0.310 38.003 38.460 -1.278 0.000 1.268 405 Y HN 0.237 nan 8.280 nan 0.000 0.561 406 W N 4.344 125.264 121.300 -0.634 0.000 2.341 406 W HA -0.194 4.479 4.660 0.021 0.000 0.283 406 W C -0.214 176.075 176.519 -0.384 0.000 1.215 406 W CA 0.901 57.961 57.345 -0.476 0.000 1.211 406 W CB -0.449 28.724 29.460 -0.480 0.000 1.131 406 W HN 0.587 nan 8.180 nan 0.000 0.552 407 Q N 1.189 119.990 119.800 -1.664 0.000 2.214 407 Q HA 0.540 4.892 4.340 0.021 0.000 0.251 407 Q C -0.360 175.371 176.000 -0.449 0.000 0.936 407 Q CA -0.431 54.581 55.803 -1.319 0.000 0.894 407 Q CB 1.776 29.408 28.738 -1.843 0.000 1.252 407 Q HN 0.058 nan 8.270 nan 0.000 0.448 408 A N 2.207 124.879 122.820 -0.246 0.000 2.409 408 A HA 0.467 4.800 4.320 0.021 0.000 0.262 408 A C -0.239 177.364 177.584 0.032 0.000 1.113 408 A CA 0.158 52.165 52.037 -0.050 0.000 0.790 408 A CB 0.797 19.783 19.000 -0.023 0.000 1.046 408 A HN 0.660 nan 8.150 nan 0.000 0.496 409 T N 1.163 115.807 114.554 0.149 0.000 2.864 409 T HA 0.642 5.005 4.350 0.021 0.000 0.299 409 T C -1.924 172.989 174.700 0.355 0.000 1.166 409 T CA -0.322 61.931 62.100 0.255 0.000 1.007 409 T CB 0.982 70.080 68.868 0.382 0.000 1.219 409 T HN 1.246 nan 8.240 nan 0.000 0.506 410 W N 2.702 124.056 121.300 0.091 0.000 3.319 410 W HA 0.654 5.329 4.660 0.024 0.000 0.300 410 W C -2.666 173.733 176.519 -0.199 0.000 1.244 410 W CA -0.909 56.425 57.345 -0.018 0.000 1.193 410 W CB 0.812 30.227 29.460 -0.074 0.000 1.359 410 W HN 0.691 nan 8.180 nan 0.000 0.568 411 I N 5.420 125.212 120.570 -1.297 0.000 2.478 411 I HA 0.315 4.498 4.170 0.021 0.000 0.287 411 I C -2.010 173.029 176.117 -1.797 0.000 1.042 411 I CA -2.096 58.331 61.300 -1.455 0.000 1.067 411 I CB 2.025 39.097 38.000 -1.545 0.000 1.233 411 I HN 0.050 nan 8.210 nan 0.000 0.431 412 P HA -0.014 nan 4.420 nan 0.000 0.272 412 P C -0.444 176.688 177.300 -0.279 0.000 1.248 412 P CA -0.327 62.169 63.100 -1.006 0.000 0.799 412 P CB 0.380 31.858 31.700 -0.370 0.000 0.997 413 E N 0.918 121.112 120.200 -0.009 0.000 2.708 413 E HA -0.082 4.280 4.350 0.021 0.000 0.260 413 E C -0.231 176.473 176.600 0.174 0.000 0.937 413 E CA 1.129 57.568 56.400 0.065 0.000 0.953 413 E CB -0.107 29.622 29.700 0.048 0.000 0.915 413 E HN 0.472 nan 8.360 nan 0.000 0.487 414 W N 1.542 122.791 121.300 -0.085 0.000 2.961 414 W HA 0.550 5.218 4.660 0.014 0.000 0.368 414 W C -0.907 175.598 176.519 -0.024 0.000 1.213 414 W CA -0.874 56.445 57.345 -0.045 0.000 1.173 414 W CB 0.560 29.938 29.460 -0.137 0.000 1.487 414 W HN 0.485 nan 8.180 nan 0.000 0.585 415 E N 0.525 120.830 120.200 0.174 0.000 2.413 415 E HA 0.523 4.885 4.350 0.021 0.000 0.277 415 E C -2.137 174.674 176.600 0.351 0.000 0.958 415 E CA -0.842 55.527 56.400 -0.052 0.000 0.779 415 E CB 2.863 32.549 29.700 -0.024 0.000 1.278 415 E HN 0.219 nan 8.360 nan 0.000 0.456 416 F N 2.388 122.391 119.950 0.088 0.000 2.427 416 F HA 0.453 4.982 4.527 0.002 0.000 0.352 416 F C -0.957 174.935 175.800 0.153 0.000 1.100 416 F CA -0.589 57.557 58.000 0.243 0.000 1.191 416 F CB 1.431 40.537 39.000 0.176 0.000 1.128 416 F HN 0.288 nan 8.300 nan 0.000 0.533 417 V N 7.878 127.499 119.914 -0.490 0.000 2.409 417 V HA 0.301 4.433 4.120 0.021 0.000 0.290 417 V C -0.702 174.883 176.094 -0.849 0.000 1.017 417 V CA -0.780 61.201 62.300 -0.531 0.000 0.841 417 V CB 1.156 32.900 31.823 -0.132 0.000 1.003 417 V HN 0.824 nan 8.190 nan 0.000 0.426 418 N N 4.593 122.718 118.700 -0.957 0.000 2.671 418 N HA 0.183 4.936 4.740 0.021 0.000 0.274 418 N C -0.493 174.913 175.510 -0.174 0.000 1.188 418 N CA 0.169 52.898 53.050 -0.534 0.000 1.065 418 N CB 0.308 38.650 38.487 -0.242 0.000 1.415 418 N HN 0.725 nan 8.380 nan 0.000 0.511 419 T N 3.944 118.441 114.554 -0.095 0.000 3.068 419 T HA 0.308 4.671 4.350 0.021 0.000 0.364 419 T C -2.470 172.241 174.700 0.018 0.000 1.161 419 T CA -1.004 61.079 62.100 -0.028 0.000 1.155 419 T CB 1.573 70.427 68.868 -0.024 0.000 1.060 419 T HN 0.275 nan 8.240 nan 0.000 0.513 420 P HA 0.106 nan 4.420 nan 0.000 0.269 420 P C -2.200 175.114 177.300 0.022 0.000 1.205 420 P CA -0.817 62.304 63.100 0.035 0.000 0.780 420 P CB -0.061 31.655 31.700 0.028 0.000 0.858 421 P HA 0.182 nan 4.420 nan 0.000 0.278 421 P C -0.807 176.522 177.300 0.050 0.000 1.238 421 P CA 0.059 63.176 63.100 0.029 0.000 0.794 421 P CB 0.760 32.474 31.700 0.024 0.000 0.955 422 L N 1.889 123.144 121.223 0.053 0.000 2.357 422 L HA 0.362 4.714 4.340 0.021 0.000 0.273 422 L C 0.767 177.659 176.870 0.036 0.000 1.080 422 L CA -1.164 53.728 54.840 0.087 0.000 0.803 422 L CB 1.595 43.727 42.059 0.121 0.000 1.174 422 L HN 0.183 nan 8.230 nan 0.000 0.443 423 V N 4.320 124.282 119.914 0.080 0.000 2.432 423 V HA 0.351 4.483 4.120 0.021 0.000 0.271 423 V C -0.101 175.966 176.094 -0.046 0.000 1.046 423 V CA -0.176 62.162 62.300 0.063 0.000 0.945 423 V CB 0.794 32.729 31.823 0.188 0.000 0.992 423 V HN 0.908 nan 8.190 nan 0.000 0.471 424 K N 5.738 126.020 120.400 -0.197 0.000 2.439 424 K HA 0.615 4.948 4.320 0.021 0.000 0.260 424 K C -1.430 174.975 176.600 -0.326 0.000 1.032 424 K CA -1.135 54.991 56.287 -0.268 0.000 0.882 424 K CB 1.910 34.193 32.500 -0.361 0.000 1.420 424 K HN 0.527 nan 8.250 nan 0.000 0.455 425 L N 2.357 123.451 121.223 -0.214 0.000 2.283 425 L HA 0.205 4.557 4.340 0.021 0.000 0.287 425 L C 0.120 176.912 176.870 -0.131 0.000 1.073 425 L CA -0.717 54.055 54.840 -0.113 0.000 0.822 425 L CB -0.014 42.025 42.059 -0.034 0.000 1.186 425 L HN 0.706 nan 8.230 nan 0.000 0.436 426 W N 3.343 124.622 121.300 -0.036 0.000 2.468 426 W HA -0.093 4.585 4.660 0.029 0.000 0.262 426 W C 0.380 177.022 176.519 0.206 0.000 1.241 426 W CA 0.242 57.637 57.345 0.084 0.000 1.232 426 W CB -0.464 29.084 29.460 0.147 0.000 1.124 426 W HN 0.532 nan 8.180 nan 0.000 0.597 427 Y N -3.374 117.067 120.300 0.234 0.000 2.717 427 Y HA 0.442 5.003 4.550 0.019 0.000 0.345 427 Y C -1.291 174.697 175.900 0.148 0.000 1.187 427 Y CA -2.161 56.037 58.100 0.163 0.000 1.128 427 Y CB 0.294 38.850 38.460 0.161 0.000 1.360 427 Y HN -0.127 nan 8.280 nan 0.000 0.467 428 Q N 3.492 123.444 119.800 0.254 0.000 2.337 428 Q HA 0.491 4.843 4.340 0.021 0.000 0.260 428 Q C -1.189 174.957 176.000 0.243 0.000 0.982 428 Q CA -0.783 55.120 55.803 0.167 0.000 0.734 428 Q CB 2.518 31.315 28.738 0.098 0.000 1.272 428 Q HN 0.721 nan 8.270 nan 0.000 0.461 429 L N 1.930 123.325 121.223 0.286 0.000 2.529 429 L HA -0.020 4.333 4.340 0.021 0.000 0.287 429 L C 0.845 177.825 176.870 0.184 0.000 1.241 429 L CA 0.246 55.218 54.840 0.220 0.000 0.857 429 L CB 0.178 42.337 42.059 0.167 0.000 1.113 429 L HN 0.423 nan 8.230 nan 0.000 0.504 430 E N 2.308 122.639 120.200 0.218 0.000 2.398 430 E HA 0.011 4.373 4.350 0.021 0.000 0.263 430 E C 0.589 177.371 176.600 0.304 0.000 1.046 430 E CA 0.045 56.592 56.400 0.245 0.000 0.908 430 E CB 0.799 30.659 29.700 0.268 0.000 0.963 430 E HN 0.403 nan 8.360 nan 0.000 0.431 431 K N 1.015 121.525 120.400 0.184 0.000 2.155 431 K HA -0.023 4.309 4.320 0.021 0.000 0.203 431 K C 0.411 177.108 176.600 0.163 0.000 1.052 431 K CA 0.850 57.233 56.287 0.160 0.000 0.948 431 K CB 0.350 32.893 32.500 0.071 0.000 0.728 431 K HN 0.359 nan 8.250 nan 0.000 0.448 432 E N -0.221 119.979 120.200 0.000 0.000 2.359 432 E HA 0.334 4.696 4.350 0.021 0.000 0.266 432 E C -2.704 173.437 176.600 -0.766 0.000 0.920 432 E CA -2.629 53.581 56.400 -0.315 0.000 0.788 432 E CB 1.431 31.025 29.700 -0.176 0.000 1.279 432 E HN -0.222 nan 8.360 nan 0.000 0.438 433 P HA 0.132 nan 4.420 nan 0.000 0.268 433 P C -0.329 176.785 177.300 -0.311 0.000 1.205 433 P CA 0.236 62.814 63.100 -0.870 0.000 0.771 433 P CB 0.349 31.742 31.700 -0.512 0.000 0.858 434 I N 2.368 122.867 120.570 -0.119 0.000 2.352 434 I HA 0.103 4.286 4.170 0.021 0.000 0.290 434 I C 0.220 176.326 176.117 -0.019 0.000 1.036 434 I CA -0.681 60.601 61.300 -0.031 0.000 1.336 434 I CB 0.706 38.728 38.000 0.037 0.000 1.407 434 I HN 0.010 nan 8.210 nan 0.000 0.497 435 V N 5.884 125.785 119.914 -0.021 0.000 2.614 435 V HA 0.320 4.452 4.120 0.021 0.000 0.291 435 V C 1.243 177.342 176.094 0.008 0.000 1.049 435 V CA 0.544 62.839 62.300 -0.009 0.000 1.038 435 V CB 0.722 32.537 31.823 -0.014 0.000 0.980 435 V HN 1.142 nan 8.190 nan 0.000 0.481 436 G N 3.281 112.090 108.800 0.015 0.000 2.162 436 G HA2 -0.105 3.867 3.960 0.021 0.000 0.260 436 G HA3 -0.105 3.867 3.960 0.021 0.000 0.260 436 G C 0.280 175.200 174.900 0.033 0.000 0.976 436 G CA 0.233 45.346 45.100 0.021 0.000 0.655 436 G HN 1.509 nan 8.290 nan 0.000 0.533 437 A N -0.272 122.574 122.820 0.044 0.000 2.312 437 A HA 0.775 5.108 4.320 0.021 0.000 0.326 437 A C 0.315 177.952 177.584 0.088 0.000 1.172 437 A CA 0.284 52.361 52.037 0.067 0.000 0.821 437 A CB 0.888 19.931 19.000 0.072 0.000 1.166 437 A HN 0.577 nan 8.150 nan 0.000 0.493 438 E N 0.283 120.554 120.200 0.118 0.000 2.442 438 E HA 0.227 4.590 4.350 0.021 0.000 0.260 438 E C -0.686 176.025 176.600 0.186 0.000 1.148 438 E CA 0.523 56.995 56.400 0.120 0.000 0.976 438 E CB 0.416 30.211 29.700 0.159 0.000 0.967 438 E HN 0.513 nan 8.360 nan 0.000 0.454 439 T N 3.559 118.197 114.554 0.140 0.000 2.930 439 T HA 0.302 4.665 4.350 0.021 0.000 0.313 439 T C -1.246 173.600 174.700 0.244 0.000 1.019 439 T CA -0.473 61.755 62.100 0.212 0.000 1.004 439 T CB -0.037 68.951 68.868 0.201 0.000 0.987 439 T HN 0.218 nan 8.240 nan 0.000 0.456 440 F N 2.792 122.777 119.950 0.058 0.000 2.411 440 F HA 0.408 4.949 4.527 0.022 0.000 0.355 440 F C 0.001 175.880 175.800 0.133 0.000 1.117 440 F CA -1.194 56.864 58.000 0.097 0.000 1.139 440 F CB 0.477 39.416 39.000 -0.101 0.000 1.120 440 F HN 0.482 nan 8.300 nan 0.000 0.493 441 Y N 3.461 123.881 120.300 0.200 0.000 2.477 441 Y HA 0.416 4.978 4.550 0.021 0.000 0.349 441 Y C 0.308 176.317 175.900 0.183 0.000 0.977 441 Y CA -1.132 57.051 58.100 0.138 0.000 1.214 441 Y CB 0.495 38.997 38.460 0.071 0.000 1.124 441 Y HN 0.392 nan 8.280 nan 0.000 0.521 442 V N 0.002 120.067 119.914 0.251 0.000 2.973 442 V HA 0.817 4.950 4.120 0.021 0.000 0.314 442 V C -0.573 175.607 176.094 0.144 0.000 1.066 442 V CA -0.521 61.918 62.300 0.232 0.000 1.021 442 V CB 2.053 33.983 31.823 0.180 0.000 1.076 442 V HN 0.606 nan 8.190 nan 0.000 0.462 443 D N 0.198 120.673 120.400 0.125 0.000 2.734 443 D HA 0.634 5.287 4.640 0.021 0.000 0.224 443 D C -0.623 175.716 176.300 0.064 0.000 1.222 443 D CA 0.528 54.573 54.000 0.074 0.000 0.761 443 D CB 1.767 42.602 40.800 0.057 0.000 1.569 443 D HN 1.212 nan 8.370 nan 0.000 0.477 444 G N 0.413 109.242 108.800 0.048 0.000 2.701 444 G HA2 0.824 4.796 3.960 0.021 0.000 0.300 444 G HA3 0.824 4.796 3.960 0.021 0.000 0.300 444 G C -1.439 173.481 174.900 0.034 0.000 1.410 444 G CA -0.182 44.943 45.100 0.042 0.000 1.014 444 G HN 0.585 nan 8.290 nan 0.000 0.509 445 A N 0.202 123.040 122.820 0.031 0.000 2.515 445 A HA 1.087 5.419 4.320 0.021 0.000 0.296 445 A C -0.393 177.207 177.584 0.027 0.000 1.094 445 A CA -0.248 51.808 52.037 0.032 0.000 0.718 445 A CB 1.997 21.018 19.000 0.036 0.000 1.307 445 A HN 2.470 nan 8.150 nan 0.000 0.408 446 A N 1.024 123.860 122.820 0.027 0.000 2.582 446 A HA 0.585 4.918 4.320 0.021 0.000 0.297 446 A C -1.104 176.493 177.584 0.022 0.000 1.059 446 A CA -0.651 51.399 52.037 0.021 0.000 0.705 446 A CB 0.873 19.884 19.000 0.018 0.000 1.279 446 A HN 0.863 nan 8.150 nan 0.000 0.404 447 N N 1.422 120.133 118.700 0.018 0.000 2.427 447 N HA 0.024 4.777 4.740 0.021 0.000 0.269 447 N C 0.873 176.392 175.510 0.015 0.000 1.235 447 N CA -0.142 52.918 53.050 0.017 0.000 0.934 447 N CB 0.639 39.134 38.487 0.013 0.000 1.121 447 N HN 0.605 nan 8.380 nan 0.000 0.480 448 R N 2.902 123.412 120.500 0.017 0.000 2.193 448 R HA -0.073 4.279 4.340 0.021 0.000 0.229 448 R C 0.956 177.264 176.300 0.012 0.000 1.110 448 R CA 1.064 57.173 56.100 0.015 0.000 0.988 448 R CB 0.221 30.532 30.300 0.019 0.000 0.871 448 R HN 0.708 nan 8.270 nan 0.000 0.458 449 E N -1.049 119.158 120.200 0.012 0.000 2.045 449 E HA -0.066 4.296 4.350 0.021 0.000 0.190 449 E C 1.729 178.334 176.600 0.008 0.000 0.968 449 E CA 1.461 57.867 56.400 0.010 0.000 0.813 449 E CB -0.099 29.607 29.700 0.010 0.000 0.780 449 E HN 0.335 nan 8.360 nan 0.000 0.455 450 T N -0.619 113.940 114.554 0.009 0.000 3.051 450 T HA -0.061 4.301 4.350 0.021 0.000 0.269 450 T C 0.804 175.508 174.700 0.007 0.000 1.127 450 T CA 0.605 62.709 62.100 0.007 0.000 1.107 450 T CB -0.281 68.591 68.868 0.007 0.000 0.898 450 T HN 0.081 nan 8.240 nan 0.000 0.517 451 K N 0.461 120.866 120.400 0.008 0.000 3.020 451 K HA -0.133 4.199 4.320 0.021 0.000 0.266 451 K C -0.593 176.012 176.600 0.007 0.000 1.067 451 K CA 0.348 56.639 56.287 0.007 0.000 0.780 451 K CB -2.022 30.481 32.500 0.005 0.000 1.220 451 K HN 0.523 nan 8.250 nan 0.000 0.483 452 L N 0.158 121.386 121.223 0.009 0.000 2.317 452 L HA 0.659 5.011 4.340 0.021 0.000 0.281 452 L C 0.799 177.676 176.870 0.011 0.000 1.024 452 L CA -0.477 54.368 54.840 0.009 0.000 0.810 452 L CB 1.900 43.963 42.059 0.008 0.000 1.240 452 L HN 0.202 nan 8.230 nan 0.000 0.427 453 G N 2.095 110.902 108.800 0.011 0.000 2.649 453 G HA2 0.643 4.615 3.960 0.021 0.000 0.290 453 G HA3 0.643 4.615 3.960 0.021 0.000 0.290 453 G C -1.804 173.105 174.900 0.014 0.000 1.426 453 G CA -0.578 44.530 45.100 0.014 0.000 0.794 453 G HN 0.433 nan 8.290 nan 0.000 0.483 454 K N -1.052 119.357 120.400 0.016 0.000 2.480 454 K HA 0.832 5.164 4.320 0.021 0.000 0.258 454 K C -0.836 175.777 176.600 0.022 0.000 0.990 454 K CA -0.721 55.574 56.287 0.014 0.000 0.857 454 K CB 2.755 35.259 32.500 0.006 0.000 1.384 454 K HN 0.958 nan 8.250 nan 0.000 0.446 455 A N 0.277 123.111 122.820 0.023 0.000 2.606 455 A HA 0.924 5.256 4.320 0.021 0.000 0.293 455 A C -0.913 176.689 177.584 0.030 0.000 1.082 455 A CA -0.128 51.934 52.037 0.041 0.000 0.685 455 A CB 2.006 21.042 19.000 0.060 0.000 1.284 455 A HN 0.824 nan 8.150 nan 0.000 0.408 456 G N -1.054 107.780 108.800 0.056 0.000 2.335 456 G HA2 0.680 4.652 3.960 0.021 0.000 0.291 456 G HA3 0.680 4.652 3.960 0.021 0.000 0.291 456 G C -1.412 173.564 174.900 0.127 0.000 1.261 456 G CA 0.452 45.551 45.100 -0.002 0.000 0.871 456 G HN 2.261 nan 8.290 nan 0.000 0.491 457 Y N -2.880 117.490 120.300 0.117 0.000 2.725 457 Y HA 0.781 5.344 4.550 0.022 0.000 0.333 457 Y C -1.071 174.888 175.900 0.098 0.000 1.242 457 Y CA -1.659 56.540 58.100 0.165 0.000 1.059 457 Y CB 1.524 40.181 38.460 0.329 0.000 1.306 457 Y HN 0.813 nan 8.280 nan 0.000 0.454 458 V N 1.790 121.906 119.914 0.338 0.000 2.568 458 V HA 0.352 4.484 4.120 0.021 0.000 0.276 458 V C -0.005 176.146 176.094 0.096 0.000 1.002 458 V CA -0.164 62.214 62.300 0.130 0.000 0.879 458 V CB 0.818 32.648 31.823 0.011 0.000 1.040 458 V HN 1.143 nan 8.190 nan 0.000 0.457 459 T N 0.449 114.973 114.554 -0.051 0.000 2.766 459 T HA 0.112 4.474 4.350 0.021 0.000 0.295 459 T C 1.405 176.035 174.700 -0.117 0.000 1.024 459 T CA 0.356 62.317 62.100 -0.231 0.000 1.018 459 T CB 0.733 69.166 68.868 -0.726 0.000 1.002 459 T HN 0.663 nan 8.240 nan 0.000 0.532 460 N N 1.115 119.777 118.700 -0.064 0.000 2.396 460 N HA -0.123 4.629 4.740 0.021 0.000 0.180 460 N C 1.401 176.873 175.510 -0.064 0.000 1.028 460 N CA 0.740 53.764 53.050 -0.043 0.000 0.893 460 N CB -0.407 38.098 38.487 0.030 0.000 0.967 460 N HN 0.692 nan 8.380 nan 0.000 0.440 461 R N -0.337 120.110 120.500 -0.089 0.000 2.319 461 R HA 0.168 4.520 4.340 0.021 0.000 0.204 461 R C 0.859 177.116 176.300 -0.070 0.000 0.954 461 R CA 0.466 56.523 56.100 -0.072 0.000 1.066 461 R CB -0.016 30.240 30.300 -0.074 0.000 0.991 461 R HN 0.443 nan 8.270 nan 0.000 0.486 462 G N 1.459 110.210 108.800 -0.081 0.000 2.225 462 G HA2 -0.343 3.630 3.960 0.021 0.000 0.254 462 G HA3 -0.343 3.630 3.960 0.021 0.000 0.254 462 G C 0.260 175.127 174.900 -0.054 0.000 0.988 462 G CA 0.001 45.062 45.100 -0.064 0.000 0.625 462 G HN 0.370 nan 8.290 nan 0.000 0.527 463 R N 1.362 121.825 120.500 -0.061 0.000 2.643 463 R HA 0.446 4.799 4.340 0.021 0.000 0.270 463 R C 0.549 176.875 176.300 0.043 0.000 1.061 463 R CA 1.042 57.142 56.100 0.001 0.000 1.107 463 R CB 0.130 30.436 30.300 0.011 0.000 0.999 463 R HN 0.693 nan 8.270 nan 0.000 0.460 464 Q N 1.979 121.780 119.800 0.003 0.000 2.648 464 Q HA 0.542 4.894 4.340 0.021 0.000 0.300 464 Q C -1.668 174.084 176.000 -0.413 0.000 0.954 464 Q CA -1.221 54.453 55.803 -0.216 0.000 0.757 464 Q CB 2.162 30.810 28.738 -0.150 0.000 1.482 464 Q HN 0.571 nan 8.270 nan 0.000 0.437 465 K N -0.315 119.727 120.400 -0.597 0.000 2.870 465 K HA 0.592 4.925 4.320 0.021 0.000 0.290 465 K C -2.396 174.003 176.600 -0.335 0.000 1.070 465 K CA -0.653 55.367 56.287 -0.446 0.000 0.843 465 K CB 2.550 34.750 32.500 -0.501 0.000 1.475 465 K HN 0.535 nan 8.250 nan 0.000 0.359 466 V N 2.444 122.254 119.914 -0.174 0.000 2.924 466 V HA 0.583 4.715 4.120 0.021 0.000 0.300 466 V C -1.803 174.261 176.094 -0.051 0.000 1.227 466 V CA -0.546 61.697 62.300 -0.096 0.000 0.954 466 V CB 2.123 33.904 31.823 -0.070 0.000 1.055 466 V HN 0.549 nan 8.190 nan 0.000 0.429 467 V N 4.417 124.319 119.914 -0.020 0.000 2.680 467 V HA 0.672 4.805 4.120 0.021 0.000 0.309 467 V C 0.071 176.168 176.094 0.005 0.000 1.052 467 V CA -0.321 61.979 62.300 -0.000 0.000 0.908 467 V CB 2.566 34.401 31.823 0.020 0.000 1.001 467 V HN 1.015 nan 8.190 nan 0.000 0.431 468 T N 3.045 117.602 114.554 0.006 0.000 2.767 468 T HA 0.811 5.173 4.350 0.021 0.000 0.288 468 T C -0.768 173.939 174.700 0.012 0.000 0.963 468 T CA -0.515 61.589 62.100 0.007 0.000 1.019 468 T CB 0.776 69.646 68.868 0.003 0.000 0.923 468 T HN 0.381 nan 8.240 nan 0.000 0.468 469 L N 3.207 124.438 121.223 0.013 0.000 2.386 469 L HA 0.646 4.998 4.340 0.021 0.000 0.271 469 L C 0.438 177.314 176.870 0.010 0.000 0.993 469 L CA -1.040 53.808 54.840 0.014 0.000 0.819 469 L CB 2.559 44.629 42.059 0.018 0.000 1.294 469 L HN 0.921 nan 8.230 nan 0.000 0.414 470 T N -2.498 112.061 114.554 0.009 0.000 2.895 470 T HA 0.446 4.808 4.350 0.021 0.000 0.283 470 T C -0.147 174.556 174.700 0.005 0.000 1.014 470 T CA -0.572 61.532 62.100 0.007 0.000 1.037 470 T CB 1.682 70.553 68.868 0.006 0.000 1.006 470 T HN 0.663 nan 8.240 nan 0.000 0.468 471 D N -0.010 120.392 120.400 0.004 0.000 2.828 471 D HA -0.161 4.491 4.640 0.021 0.000 0.241 471 D C -0.370 175.931 176.300 0.001 0.000 1.142 471 D CA 1.641 55.643 54.000 0.002 0.000 0.755 471 D CB -1.124 39.676 40.800 0.001 0.000 1.014 471 D HN 0.994 nan 8.370 nan 0.000 0.420 472 T N -0.585 113.970 114.554 0.002 0.000 2.864 472 T HA 0.774 5.136 4.350 0.021 0.000 0.299 472 T C -0.241 174.459 174.700 0.001 0.000 1.166 472 T CA 0.212 62.312 62.100 -0.000 0.000 1.007 472 T CB 1.608 70.478 68.868 0.003 0.000 1.219 472 T HN 0.294 nan 8.240 nan 0.000 0.506 473 T N 0.687 115.239 114.554 -0.004 0.000 2.949 473 T HA 0.441 4.804 4.350 0.021 0.000 0.287 473 T C 1.126 175.827 174.700 0.002 0.000 1.034 473 T CA -0.811 61.289 62.100 -0.001 0.000 1.018 473 T CB 1.406 70.269 68.868 -0.008 0.000 1.135 473 T HN 0.511 nan 8.240 nan 0.000 0.532 474 N N -0.039 118.667 118.700 0.010 0.000 2.120 474 N HA -0.154 4.598 4.740 0.021 0.000 0.188 474 N C 1.756 177.272 175.510 0.009 0.000 1.024 474 N CA 1.361 54.421 53.050 0.017 0.000 0.852 474 N CB -0.248 38.256 38.487 0.029 0.000 1.003 474 N HN 0.781 nan 8.380 nan 0.000 0.424 475 Q N 0.909 120.707 119.800 -0.003 0.000 2.030 475 Q HA -0.150 4.202 4.340 0.021 0.000 0.204 475 Q C 1.733 177.699 176.000 -0.057 0.000 0.986 475 Q CA 1.485 57.270 55.803 -0.032 0.000 0.843 475 Q CB 0.049 28.749 28.738 -0.063 0.000 0.904 475 Q HN 0.297 nan 8.270 nan 0.000 0.420 476 K N -0.373 119.994 120.400 -0.055 0.000 2.103 476 K HA -0.155 4.178 4.320 0.021 0.000 0.207 476 K C 2.210 178.798 176.600 -0.019 0.000 1.048 476 K CA 1.857 58.112 56.287 -0.054 0.000 0.930 476 K CB -0.213 32.262 32.500 -0.042 0.000 0.716 476 K HN 0.475 nan 8.250 nan 0.000 0.444 477 T N -0.458 114.096 114.554 -0.000 0.000 2.701 477 T HA -0.135 4.227 4.350 0.021 0.000 0.263 477 T C 1.740 176.459 174.700 0.032 0.000 1.040 477 T CA 1.031 63.144 62.100 0.021 0.000 1.147 477 T CB -0.367 68.516 68.868 0.024 0.000 0.865 477 T HN 0.255 nan 8.240 nan 0.000 0.426 478 E N 1.369 121.585 120.200 0.027 0.000 2.070 478 E HA -0.100 4.262 4.350 0.021 0.000 0.197 478 E C 2.281 178.906 176.600 0.041 0.000 1.004 478 E CA 1.400 57.824 56.400 0.040 0.000 0.805 478 E CB -0.486 29.240 29.700 0.043 0.000 0.744 478 E HN 0.473 nan 8.360 nan 0.000 0.451 479 L N 0.536 121.764 121.223 0.008 0.000 2.093 479 L HA -0.204 4.148 4.340 0.021 0.000 0.208 479 L C 2.685 179.585 176.870 0.049 0.000 1.085 479 L CA 0.872 55.712 54.840 -0.001 0.000 0.755 479 L CB -0.290 41.718 42.059 -0.086 0.000 0.904 479 L HN 0.124 nan 8.230 nan 0.000 0.435 480 Q N 0.504 120.338 119.800 0.056 0.000 2.167 480 Q HA -0.134 4.218 4.340 0.021 0.000 0.202 480 Q C 2.158 178.248 176.000 0.149 0.000 0.970 480 Q CA 1.817 57.694 55.803 0.123 0.000 0.855 480 Q CB -0.199 28.592 28.738 0.088 0.000 0.911 480 Q HN 0.424 nan 8.270 nan 0.000 0.438 481 A N 0.213 123.100 122.820 0.112 0.000 1.902 481 A HA -0.138 4.194 4.320 0.021 0.000 0.217 481 A C 2.096 179.756 177.584 0.126 0.000 1.181 481 A CA 1.555 53.672 52.037 0.133 0.000 0.623 481 A CB -0.710 18.358 19.000 0.113 0.000 0.818 481 A HN 0.468 nan 8.150 nan 0.000 0.443 482 I N -2.069 118.555 120.570 0.091 0.000 2.315 482 I HA -0.218 3.964 4.170 0.021 0.000 0.248 482 I C 2.468 178.610 176.117 0.043 0.000 1.117 482 I CA 1.413 62.739 61.300 0.045 0.000 1.404 482 I CB -0.418 37.607 38.000 0.042 0.000 1.071 482 I HN 0.490 nan 8.210 nan 0.000 0.419 483 Y N 1.865 122.139 120.300 -0.044 0.000 2.163 483 Y HA -0.190 4.371 4.550 0.020 0.000 0.288 483 Y C 2.275 178.137 175.900 -0.062 0.000 1.136 483 Y CA 1.411 59.476 58.100 -0.058 0.000 1.147 483 Y CB -0.492 37.947 38.460 -0.035 0.000 0.987 483 Y HN -0.000 nan 8.280 nan 0.000 0.509 484 L N -0.365 120.788 121.223 -0.117 0.000 2.012 484 L HA -0.262 4.090 4.340 0.021 0.000 0.210 484 L C 2.796 179.527 176.870 -0.232 0.000 1.073 484 L CA 1.348 56.105 54.840 -0.137 0.000 0.748 484 L CB -1.117 41.029 42.059 0.145 0.000 0.891 484 L HN 0.304 nan 8.230 nan 0.000 0.431 485 A N 0.214 122.870 122.820 -0.274 0.000 1.892 485 A HA -0.239 4.094 4.320 0.021 0.000 0.218 485 A C 2.240 179.305 177.584 -0.866 0.000 1.188 485 A CA 1.876 53.431 52.037 -0.804 0.000 0.631 485 A CB -0.886 17.785 19.000 -0.549 0.000 0.822 485 A HN 0.392 nan 8.150 nan 0.000 0.447 486 L N -1.362 119.564 121.223 -0.494 0.000 2.046 486 L HA -0.258 4.094 4.340 0.021 0.000 0.208 486 L C 2.908 179.559 176.870 -0.365 0.000 1.077 486 L CA 1.737 56.347 54.840 -0.382 0.000 0.747 486 L CB -0.602 41.337 42.059 -0.199 0.000 0.896 486 L HN 0.503 nan 8.230 nan 0.000 0.432 487 Q N 0.055 119.607 119.800 -0.413 0.000 1.975 487 Q HA -0.227 4.125 4.340 0.021 0.000 0.205 487 Q C 1.829 177.696 176.000 -0.222 0.000 0.990 487 Q CA 2.069 57.672 55.803 -0.334 0.000 0.845 487 Q CB -0.017 28.490 28.738 -0.385 0.000 0.913 487 Q HN 0.445 nan 8.270 nan 0.000 0.420 488 D N 0.380 120.654 120.400 -0.209 0.000 2.264 488 D HA -0.072 4.580 4.640 0.021 0.000 0.208 488 D C 0.979 177.251 176.300 -0.045 0.000 0.966 488 D CA 0.758 54.718 54.000 -0.066 0.000 0.864 488 D CB -0.298 40.564 40.800 0.103 0.000 0.933 488 D HN 0.217 nan 8.370 nan 0.000 0.499 489 S N -0.383 115.139 115.700 -0.298 0.000 2.633 489 S HA 0.459 4.941 4.470 0.021 0.000 0.257 489 S C 0.886 175.460 174.600 -0.044 0.000 1.265 489 S CA -0.375 57.722 58.200 -0.173 0.000 0.980 489 S CB 1.006 63.871 63.200 -0.557 0.000 1.017 489 S HN 0.152 nan 8.310 nan 0.000 0.577 490 G N -1.109 107.700 108.800 0.014 0.000 2.606 490 G HA2 0.490 4.462 3.960 0.021 0.000 0.262 490 G HA3 0.490 4.462 3.960 0.021 0.000 0.262 490 G C 0.489 175.384 174.900 -0.008 0.000 1.394 490 G CA -0.987 44.122 45.100 0.016 0.000 1.044 490 G HN 0.662 nan 8.290 nan 0.000 0.553 491 L N -0.360 120.867 121.223 0.007 0.000 2.551 491 L HA 0.155 4.507 4.340 0.021 0.000 0.228 491 L C 0.581 177.459 176.870 0.014 0.000 1.153 491 L CA 0.949 55.793 54.840 0.007 0.000 0.851 491 L CB -0.269 41.800 42.059 0.018 0.000 0.959 491 L HN 0.391 nan 8.230 nan 0.000 0.451 492 E N -0.144 120.069 120.200 0.023 0.000 2.256 492 E HA 0.557 4.920 4.350 0.021 0.000 0.268 492 E C -1.331 175.297 176.600 0.046 0.000 0.877 492 E CA -0.262 56.160 56.400 0.037 0.000 0.757 492 E CB 3.373 33.100 29.700 0.045 0.000 1.183 492 E HN -0.177 nan 8.360 nan 0.000 0.418 493 V N 3.015 122.957 119.914 0.045 0.000 3.023 493 V HA 0.343 4.475 4.120 0.021 0.000 0.294 493 V C -1.881 174.265 176.094 0.086 0.000 1.324 493 V CA -0.744 61.594 62.300 0.063 0.000 0.979 493 V CB 2.320 34.102 31.823 -0.068 0.000 1.093 493 V HN 0.650 nan 8.190 nan 0.000 0.434 494 N N 5.765 124.553 118.700 0.146 0.000 2.430 494 N HA 0.669 5.421 4.740 0.021 0.000 0.292 494 N C -1.083 174.491 175.510 0.107 0.000 1.051 494 N CA -0.226 52.923 53.050 0.166 0.000 0.917 494 N CB 2.212 40.809 38.487 0.183 0.000 1.164 494 N HN 0.650 nan 8.380 nan 0.000 0.484 495 I N 1.425 122.012 120.570 0.028 0.000 2.499 495 I HA 0.338 4.521 4.170 0.021 0.000 0.288 495 I C -0.432 175.631 176.117 -0.090 0.000 1.048 495 I CA -0.994 60.291 61.300 -0.026 0.000 1.062 495 I CB 2.134 40.093 38.000 -0.068 0.000 1.238 495 I HN -0.035 nan 8.210 nan 0.000 0.426 496 V N 4.189 124.009 119.914 -0.156 0.000 2.547 496 V HA 0.706 4.838 4.120 0.021 0.000 0.299 496 V C -0.048 175.976 176.094 -0.116 0.000 1.040 496 V CA -0.307 61.862 62.300 -0.219 0.000 0.913 496 V CB 1.960 33.477 31.823 -0.511 0.000 0.992 496 V HN 0.847 nan 8.190 nan 0.000 0.449 497 T N 1.233 115.731 114.554 -0.094 0.000 3.047 497 T HA 0.291 4.654 4.350 0.021 0.000 0.340 497 T C -0.479 174.160 174.700 -0.102 0.000 1.421 497 T CA -0.280 61.796 62.100 -0.039 0.000 1.090 497 T CB 1.545 70.440 68.868 0.044 0.000 1.292 497 T HN 0.917 nan 8.240 nan 0.000 0.480 498 D N 1.755 122.086 120.400 -0.115 0.000 2.325 498 D HA 0.211 4.864 4.640 0.021 0.000 0.225 498 D C 0.701 177.125 176.300 0.206 0.000 1.096 498 D CA -0.197 53.678 54.000 -0.208 0.000 0.844 498 D CB 0.290 40.956 40.800 -0.223 0.000 0.925 498 D HN 0.291 nan 8.370 nan 0.000 0.513 499 S N 0.201 116.054 115.700 0.255 0.000 2.516 499 S HA -0.012 4.470 4.470 0.021 0.000 0.282 499 S C 1.236 176.038 174.600 0.337 0.000 1.286 499 S CA -0.452 57.908 58.200 0.267 0.000 1.066 499 S CB 0.731 64.038 63.200 0.178 0.000 0.884 499 S HN 0.114 nan 8.310 nan 0.000 0.491 500 Q N 3.692 123.627 119.800 0.225 0.000 2.172 500 Q HA -0.107 4.245 4.340 0.021 0.000 0.200 500 Q C 1.260 177.232 176.000 -0.047 0.000 0.964 500 Q CA 1.427 57.240 55.803 0.017 0.000 0.855 500 Q CB -0.318 28.432 28.738 0.020 0.000 0.918 500 Q HN 0.988 nan 8.270 nan 0.000 0.444 501 Y N 0.852 121.122 120.300 -0.051 0.000 2.439 501 Y HA -0.072 4.490 4.550 0.020 0.000 0.292 501 Y C 2.112 177.963 175.900 -0.081 0.000 1.130 501 Y CA 0.912 58.967 58.100 -0.075 0.000 1.254 501 Y CB 0.138 38.579 38.460 -0.031 0.000 1.000 501 Y HN 0.112 nan 8.280 nan 0.000 0.554 502 A N -0.525 122.386 122.820 0.151 0.000 1.970 502 A HA -0.113 4.220 4.320 0.021 0.000 0.216 502 A C 1.964 179.528 177.584 -0.032 0.000 1.170 502 A CA 1.125 53.221 52.037 0.099 0.000 0.645 502 A CB -0.845 18.238 19.000 0.137 0.000 0.816 502 A HN 0.451 nan 8.150 nan 0.000 0.447 503 L N 0.319 121.456 121.223 -0.144 0.000 2.042 503 L HA -0.091 4.262 4.340 0.021 0.000 0.210 503 L C 2.419 179.116 176.870 -0.288 0.000 1.076 503 L CA 2.153 56.808 54.840 -0.307 0.000 0.749 503 L CB -1.165 40.519 42.059 -0.626 0.000 0.893 503 L HN 0.337 nan 8.230 nan 0.000 0.432 504 G N -0.779 107.818 108.800 -0.338 0.000 2.408 504 G HA2 -0.229 3.744 3.960 0.021 0.000 0.217 504 G HA3 -0.229 3.744 3.960 0.021 0.000 0.217 504 G C 1.664 176.398 174.900 -0.276 0.000 1.150 504 G CA 0.963 45.818 45.100 -0.408 0.000 0.776 504 G HN 0.461 nan 8.290 nan 0.000 0.542 505 I N 0.690 121.154 120.570 -0.177 0.000 2.226 505 I HA -0.155 4.028 4.170 0.021 0.000 0.245 505 I C 2.590 178.725 176.117 0.030 0.000 1.100 505 I CA 0.816 62.103 61.300 -0.020 0.000 1.374 505 I CB -0.181 37.854 38.000 0.058 0.000 1.057 505 I HN 0.147 nan 8.210 nan 0.000 0.413 506 I N 0.173 120.728 120.570 -0.025 0.000 2.286 506 I HA -0.317 3.866 4.170 0.021 0.000 0.248 506 I C 2.653 178.767 176.117 -0.006 0.000 1.115 506 I CA 1.450 62.741 61.300 -0.015 0.000 1.392 506 I CB -0.376 37.585 38.000 -0.065 0.000 1.065 506 I HN 0.393 nan 8.210 nan 0.000 0.418 507 Q N 0.869 120.630 119.800 -0.066 0.000 2.062 507 Q HA -0.084 4.269 4.340 0.021 0.000 0.196 507 Q C 2.052 178.104 176.000 0.087 0.000 0.967 507 Q CA 1.524 57.288 55.803 -0.065 0.000 0.832 507 Q CB 0.075 28.666 28.738 -0.246 0.000 0.899 507 Q HN 0.493 nan 8.270 nan 0.000 0.442 508 A N -0.385 122.506 122.820 0.118 0.000 2.303 508 A HA 0.103 4.436 4.320 0.021 0.000 0.217 508 A C 0.236 178.045 177.584 0.375 0.000 1.205 508 A CA -0.121 52.151 52.037 0.390 0.000 0.875 508 A CB 0.228 19.447 19.000 0.364 0.000 0.910 508 A HN 0.484 nan 8.150 nan 0.000 0.501 509 Q N 0.212 120.162 119.800 0.250 0.000 2.402 509 Q HA -0.144 4.208 4.340 0.021 0.000 0.356 509 Q C -2.102 174.047 176.000 0.247 0.000 1.344 509 Q CA 0.358 56.321 55.803 0.268 0.000 1.062 509 Q CB -1.371 27.443 28.738 0.127 0.000 1.268 509 Q HN 0.579 nan 8.270 nan 0.000 0.383 510 P HA -0.072 nan 4.420 nan 0.000 0.268 510 P C -0.206 177.259 177.300 0.275 0.000 1.208 510 P CA 0.480 63.741 63.100 0.267 0.000 0.777 510 P CB 0.628 32.488 31.700 0.267 0.000 0.875 511 D N -0.170 120.335 120.400 0.175 0.000 2.623 511 D HA 0.141 4.793 4.640 0.021 0.000 0.252 511 D C 0.042 176.324 176.300 -0.029 0.000 1.294 511 D CA -0.322 53.737 54.000 0.099 0.000 0.824 511 D CB 0.005 40.807 40.800 0.004 0.000 1.070 511 D HN 0.540 nan 8.370 nan 0.000 0.487 512 Q N -1.292 118.537 119.800 0.049 0.000 2.837 512 Q HA 0.426 4.779 4.340 0.021 0.000 0.239 512 Q C -1.719 174.334 176.000 0.087 0.000 1.001 512 Q CA -0.818 54.995 55.803 0.015 0.000 0.960 512 Q CB 0.556 29.278 28.738 -0.028 0.000 1.923 512 Q HN 0.147 nan 8.270 nan 0.000 0.471 513 S N 0.519 116.261 115.700 0.070 0.000 2.929 513 S HA 0.420 4.903 4.470 0.021 0.000 0.311 513 S C 0.238 174.869 174.600 0.052 0.000 1.213 513 S CA -0.097 58.167 58.200 0.108 0.000 0.908 513 S CB 0.971 64.288 63.200 0.195 0.000 1.287 513 S HN 0.890 nan 8.310 nan 0.000 0.594 514 E N 0.105 120.340 120.200 0.058 0.000 2.364 514 E HA 0.220 4.582 4.350 0.021 0.000 0.196 514 E C 0.587 177.190 176.600 0.006 0.000 0.990 514 E CA 0.283 56.697 56.400 0.023 0.000 0.886 514 E CB 0.126 29.839 29.700 0.022 0.000 0.866 514 E HN 0.390 nan 8.360 nan 0.000 0.493 515 S N 0.647 116.352 115.700 0.008 0.000 2.513 515 S HA 0.063 4.546 4.470 0.021 0.000 0.276 515 S C 0.729 175.292 174.600 -0.061 0.000 1.254 515 S CA -0.466 57.711 58.200 -0.039 0.000 1.053 515 S CB 1.447 64.600 63.200 -0.078 0.000 0.958 515 S HN 0.284 nan 8.310 nan 0.000 0.491 516 E N 4.426 124.581 120.200 -0.075 0.000 2.110 516 E HA -0.117 4.246 4.350 0.021 0.000 0.193 516 E C 1.672 178.183 176.600 -0.148 0.000 0.988 516 E CA 1.464 57.806 56.400 -0.096 0.000 0.804 516 E CB -0.308 29.340 29.700 -0.086 0.000 0.745 516 E HN 0.808 nan 8.360 nan 0.000 0.458 517 L N -0.398 120.729 121.223 -0.159 0.000 1.956 517 L HA -0.256 4.096 4.340 0.021 0.000 0.216 517 L C 2.312 179.046 176.870 -0.226 0.000 1.073 517 L CA 1.784 56.491 54.840 -0.223 0.000 0.762 517 L CB -0.505 41.448 42.059 -0.177 0.000 0.889 517 L HN 0.139 nan 8.230 nan 0.000 0.433 518 V N 0.197 120.023 119.914 -0.147 0.000 2.278 518 V HA -0.402 3.731 4.120 0.021 0.000 0.251 518 V C 2.059 178.106 176.094 -0.079 0.000 1.062 518 V CA 2.548 64.801 62.300 -0.078 0.000 1.038 518 V CB -1.106 30.722 31.823 0.007 0.000 0.646 518 V HN 0.555 nan 8.190 nan 0.000 0.447 519 N N -0.282 118.365 118.700 -0.088 0.000 2.061 519 N HA -0.277 4.476 4.740 0.021 0.000 0.193 519 N C 1.952 177.383 175.510 -0.132 0.000 1.030 519 N CA 1.672 54.668 53.050 -0.091 0.000 0.856 519 N CB -0.222 38.210 38.487 -0.092 0.000 1.023 519 N HN 0.630 nan 8.380 nan 0.000 0.424 520 Q N 0.520 120.181 119.800 -0.232 0.000 2.124 520 Q HA -0.096 4.257 4.340 0.021 0.000 0.202 520 Q C 2.119 177.987 176.000 -0.219 0.000 0.977 520 Q CA 0.944 56.548 55.803 -0.331 0.000 0.850 520 Q CB -0.074 28.199 28.738 -0.776 0.000 0.901 520 Q HN 0.508 nan 8.270 nan 0.000 0.429 521 I N 0.540 120.987 120.570 -0.206 0.000 2.252 521 I HA -0.266 3.916 4.170 0.021 0.000 0.245 521 I C 2.201 178.288 176.117 -0.050 0.000 1.102 521 I CA 1.038 62.323 61.300 -0.025 0.000 1.385 521 I CB -0.249 37.731 38.000 -0.032 0.000 1.064 521 I HN 0.207 nan 8.210 nan 0.000 0.414 522 I N 0.407 120.936 120.570 -0.068 0.000 2.179 522 I HA -0.250 3.932 4.170 0.021 0.000 0.242 522 I C 2.588 178.665 176.117 -0.067 0.000 1.088 522 I CA 1.177 62.431 61.300 -0.077 0.000 1.357 522 I CB -0.534 37.470 38.000 0.005 0.000 1.051 522 I HN 0.219 nan 8.210 nan 0.000 0.409 523 E N 0.774 120.951 120.200 -0.039 0.000 2.070 523 E HA -0.260 4.102 4.350 0.021 0.000 0.197 523 E C 2.166 178.774 176.600 0.013 0.000 1.004 523 E CA 1.319 57.715 56.400 -0.007 0.000 0.805 523 E CB -0.467 29.233 29.700 -0.001 0.000 0.744 523 E HN 0.498 nan 8.360 nan 0.000 0.451 524 Q N 0.271 120.089 119.800 0.030 0.000 2.050 524 Q HA -0.078 4.274 4.340 0.021 0.000 0.202 524 Q C 2.625 178.589 176.000 -0.061 0.000 0.980 524 Q CA 0.819 56.633 55.803 0.018 0.000 0.840 524 Q CB -0.463 28.323 28.738 0.080 0.000 0.898 524 Q HN 0.348 nan 8.270 nan 0.000 0.424 525 L N 0.120 121.252 121.223 -0.151 0.000 2.012 525 L HA -0.213 4.139 4.340 0.021 0.000 0.210 525 L C 2.461 179.220 176.870 -0.186 0.000 1.073 525 L CA 1.024 55.681 54.840 -0.305 0.000 0.748 525 L CB -0.557 41.059 42.059 -0.738 0.000 0.891 525 L HN 0.190 nan 8.230 nan 0.000 0.431 526 I N -0.133 120.394 120.570 -0.073 0.000 2.194 526 I HA -0.340 3.843 4.170 0.021 0.000 0.246 526 I C 2.440 178.633 176.117 0.127 0.000 1.093 526 I CA 1.553 62.949 61.300 0.159 0.000 1.355 526 I CB -0.333 37.818 38.000 0.252 0.000 1.046 526 I HN 0.251 nan 8.210 nan 0.000 0.413 527 K N 0.495 120.935 120.400 0.067 0.000 2.211 527 K HA -0.053 4.280 4.320 0.021 0.000 0.203 527 K C 0.589 177.211 176.600 0.038 0.000 1.050 527 K CA 0.569 56.890 56.287 0.056 0.000 0.945 527 K CB 0.022 32.543 32.500 0.036 0.000 0.732 527 K HN 0.157 nan 8.250 nan 0.000 0.451 528 K N 1.249 121.659 120.400 0.017 0.000 2.219 528 K HA 0.012 4.344 4.320 0.021 0.000 0.258 528 K C 0.747 177.372 176.600 0.042 0.000 1.008 528 K CA 0.406 56.700 56.287 0.012 0.000 0.928 528 K CB 0.722 33.212 32.500 -0.017 0.000 0.983 528 K HN 0.118 nan 8.250 nan 0.000 0.484 529 E N 0.967 121.190 120.200 0.039 0.000 2.250 529 E HA -0.009 4.353 4.350 0.021 0.000 0.192 529 E C -0.307 176.328 176.600 0.059 0.000 0.986 529 E CA 0.848 57.278 56.400 0.050 0.000 0.849 529 E CB 0.410 30.133 29.700 0.039 0.000 0.797 529 E HN 0.294 nan 8.360 nan 0.000 0.482 530 K N 0.537 120.970 120.400 0.054 0.000 2.565 530 K HA 0.388 4.721 4.320 0.021 0.000 0.251 530 K C -1.671 174.969 176.600 0.067 0.000 0.956 530 K CA -0.361 55.968 56.287 0.070 0.000 0.809 530 K CB 2.937 35.476 32.500 0.064 0.000 1.267 530 K HN -0.201 nan 8.250 nan 0.000 0.438 531 V N 2.733 122.702 119.914 0.090 0.000 2.760 531 V HA 0.400 4.533 4.120 0.021 0.000 0.309 531 V C -1.602 174.578 176.094 0.145 0.000 1.077 531 V CA -0.969 61.377 62.300 0.077 0.000 0.910 531 V CB 1.846 33.673 31.823 0.007 0.000 1.008 531 V HN 0.734 nan 8.190 nan 0.000 0.424 532 Y N 4.633 124.944 120.300 0.017 0.000 2.338 532 Y HA 0.714 5.276 4.550 0.020 0.000 0.333 532 Y C -1.133 174.775 175.900 0.014 0.000 0.968 532 Y CA -0.827 57.288 58.100 0.025 0.000 1.123 532 Y CB 1.646 40.119 38.460 0.021 0.000 1.165 532 Y HN 0.618 nan 8.280 nan 0.000 0.452 533 L N 6.137 126.982 121.223 -0.631 0.000 2.305 533 L HA 0.856 5.209 4.340 0.021 0.000 0.284 533 L C -0.743 175.739 176.870 -0.647 0.000 1.013 533 L CA -0.699 53.875 54.840 -0.443 0.000 0.819 533 L CB 1.084 43.017 42.059 -0.210 0.000 1.227 533 L HN 0.858 nan 8.230 nan 0.000 0.417 534 A N 4.141 126.736 122.820 -0.376 0.000 2.365 534 A HA 0.529 4.861 4.320 0.021 0.000 0.318 534 A C -1.800 175.787 177.584 0.004 0.000 1.091 534 A CA -0.455 51.475 52.037 -0.178 0.000 0.763 534 A CB 1.135 20.143 19.000 0.014 0.000 1.248 534 A HN 0.766 nan 8.150 nan 0.000 0.442 535 W N 2.738 123.975 121.300 -0.103 0.000 2.570 535 W HA 0.616 5.289 4.660 0.020 0.000 0.337 535 W C -0.933 175.561 176.519 -0.042 0.000 1.067 535 W CA -0.371 56.931 57.345 -0.071 0.000 1.229 535 W CB 1.797 31.217 29.460 -0.067 0.000 1.355 535 W HN 0.880 nan 8.180 nan 0.000 0.555 536 V N 3.566 122.832 119.914 -1.081 0.000 2.808 536 V HA 0.624 4.756 4.120 0.021 0.000 0.308 536 V C -2.492 172.659 176.094 -1.573 0.000 1.099 536 V CA -2.673 58.999 62.300 -1.047 0.000 0.920 536 V CB 1.474 33.015 31.823 -0.469 0.000 1.014 536 V HN 0.569 nan 8.190 nan 0.000 0.425 537 P HA 0.236 nan 4.420 nan 0.000 0.268 537 P C -0.065 176.986 177.300 -0.415 0.000 1.208 537 P CA 0.412 63.058 63.100 -0.758 0.000 0.777 537 P CB 0.875 32.395 31.700 -0.301 0.000 0.875 538 A N 3.414 126.080 122.820 -0.256 0.000 2.401 538 A HA 0.414 4.747 4.320 0.021 0.000 0.259 538 A C 0.192 177.603 177.584 -0.289 0.000 1.103 538 A CA 0.227 52.053 52.037 -0.352 0.000 0.789 538 A CB -0.629 18.132 19.000 -0.397 0.000 1.035 538 A HN 0.788 nan 8.150 nan 0.000 0.491 539 H N 0.000 119.046 119.070 -0.039 0.000 2.539 539 H HA 0.000 4.569 4.556 0.021 0.000 0.296 539 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 539 H CB 0.000 29.757 29.762 -0.008 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496