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 1rtd_1_A DATA FIRST_RESID 1 DATA SEQUENCE KISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLC 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 KGRQKVVPLT DTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DESESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.665 176.600 0.109 0.000 0.988 1 K CA 0.000 56.337 56.287 0.083 0.000 0.838 1 K CB 0.000 32.549 32.500 0.082 0.000 1.064 2 I N 0.965 121.601 120.570 0.110 0.000 2.569 2 I HA 0.318 4.488 4.170 0.000 0.000 0.296 2 I C 0.698 176.897 176.117 0.136 0.000 1.028 2 I CA -0.936 60.442 61.300 0.129 0.000 1.082 2 I CB 2.043 40.116 38.000 0.121 0.000 1.264 2 I HN 0.431 nan 8.210 nan 0.000 0.429 3 S N 5.634 121.428 115.700 0.157 0.000 2.549 3 S HA 0.177 4.647 4.470 0.000 0.000 0.286 3 S C -1.513 173.202 174.600 0.193 0.000 1.314 3 S CA -0.842 57.480 58.200 0.203 0.000 1.062 3 S CB 0.556 63.858 63.200 0.171 0.000 0.865 3 S HN 0.476 nan 8.310 nan 0.000 0.498 4 P HA 0.186 nan 4.420 nan 0.000 0.257 4 P C 0.427 177.854 177.300 0.212 0.000 1.325 4 P CA -0.131 63.065 63.100 0.159 0.000 0.850 4 P CB -0.144 31.596 31.700 0.067 0.000 1.324 5 I N 0.837 121.592 120.570 0.308 0.000 2.813 5 I HA -0.015 4.155 4.170 0.000 0.000 0.287 5 I C 0.445 176.641 176.117 0.133 0.000 1.196 5 I CA -0.206 61.255 61.300 0.268 0.000 1.421 5 I CB 0.681 38.749 38.000 0.114 0.000 1.365 5 I HN -0.092 nan 8.210 nan 0.000 0.591 6 E N 4.413 124.678 120.200 0.107 0.000 2.415 6 E HA 0.077 4.427 4.350 0.000 0.000 0.262 6 E C -0.107 176.522 176.600 0.049 0.000 1.038 6 E CA -0.069 56.373 56.400 0.070 0.000 0.921 6 E CB 0.433 30.169 29.700 0.059 0.000 0.950 6 E HN 0.651 nan 8.360 nan 0.000 0.438 7 T N -1.452 113.130 114.554 0.047 0.000 2.899 7 T HA 0.234 4.584 4.350 0.000 0.000 0.295 7 T C 0.168 174.889 174.700 0.035 0.000 1.033 7 T CA -0.984 61.140 62.100 0.041 0.000 1.084 7 T CB 0.850 69.747 68.868 0.048 0.000 0.979 7 T HN 0.119 nan 8.240 nan 0.000 0.532 8 V N 5.382 125.318 119.914 0.037 0.000 2.432 8 V HA 0.305 4.425 4.120 0.000 0.000 0.271 8 V C -1.679 174.444 176.094 0.049 0.000 1.046 8 V CA -1.688 60.637 62.300 0.042 0.000 0.945 8 V CB 0.680 32.539 31.823 0.060 0.000 0.992 8 V HN 0.853 nan 8.190 nan 0.000 0.471 9 P HA 0.188 nan 4.420 nan 0.000 0.270 9 P C -0.734 176.571 177.300 0.009 0.000 1.242 9 P CA 0.123 63.240 63.100 0.028 0.000 0.768 9 P CB 1.048 32.760 31.700 0.020 0.000 0.820 10 V N 4.535 124.451 119.914 0.004 0.000 2.630 10 V HA 0.481 4.601 4.120 0.000 0.000 0.305 10 V C 0.510 176.619 176.094 0.025 0.000 1.046 10 V CA -0.546 61.712 62.300 -0.070 0.000 0.934 10 V CB 2.037 33.685 31.823 -0.292 0.000 1.003 10 V HN 0.480 nan 8.190 nan 0.000 0.451 11 K N 2.151 122.565 120.400 0.023 0.000 2.400 11 K HA 0.723 5.043 4.320 0.000 0.000 0.246 11 K C -1.572 175.151 176.600 0.206 0.000 0.995 11 K CA -0.837 55.530 56.287 0.134 0.000 0.840 11 K CB 2.382 34.901 32.500 0.031 0.000 1.293 11 K HN 0.489 nan 8.250 nan 0.000 0.445 12 L N 2.044 123.393 121.223 0.211 0.000 2.331 12 L HA 0.401 4.741 4.340 0.000 0.000 0.275 12 L C -0.038 176.865 176.870 0.056 0.000 1.022 12 L CA -0.809 54.119 54.840 0.148 0.000 0.812 12 L CB 1.562 43.610 42.059 -0.018 0.000 1.257 12 L HN 0.507 nan 8.230 nan 0.000 0.435 13 K N 3.733 124.158 120.400 0.040 0.000 2.491 13 K HA 0.032 4.352 4.320 0.000 0.000 0.279 13 K C -2.113 174.492 176.600 0.009 0.000 1.026 13 K CA -1.136 55.161 56.287 0.018 0.000 1.070 13 K CB 0.123 32.636 32.500 0.022 0.000 0.887 13 K HN 0.298 nan 8.250 nan 0.000 0.481 14 P HA -0.173 nan 4.420 nan 0.000 0.259 14 P C 0.593 177.898 177.300 0.008 0.000 1.163 14 P CA 1.026 64.131 63.100 0.008 0.000 0.760 14 P CB 0.432 32.136 31.700 0.006 0.000 0.762 15 G N 2.478 111.283 108.800 0.009 0.000 2.199 15 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 15 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 15 G C 0.149 175.053 174.900 0.006 0.000 0.982 15 G CA 0.067 45.173 45.100 0.010 0.000 0.632 15 G HN 0.511 nan 8.290 nan 0.000 0.529 16 M N 0.669 120.265 119.600 -0.007 0.000 2.363 16 M HA 0.517 4.997 4.480 0.000 0.000 0.343 16 M C -0.263 175.999 176.300 -0.063 0.000 1.165 16 M CA -0.738 54.550 55.300 -0.020 0.000 1.046 16 M CB 1.483 34.071 32.600 -0.019 0.000 1.648 16 M HN 0.120 nan 8.290 nan 0.000 0.452 17 D N 0.896 121.265 120.400 -0.051 0.000 2.437 17 D HA 0.544 5.184 4.640 0.000 0.000 0.259 17 D C -0.068 176.117 176.300 -0.192 0.000 1.118 17 D CA -0.051 53.905 54.000 -0.073 0.000 1.017 17 D CB 1.521 42.367 40.800 0.077 0.000 1.120 17 D HN 0.693 nan 8.370 nan 0.000 0.541 18 G N -0.008 108.582 108.800 -0.350 0.000 2.616 18 G HA2 0.369 4.329 3.960 0.000 0.000 0.268 18 G HA3 0.369 4.329 3.960 0.000 0.000 0.268 18 G C -2.260 172.681 174.900 0.068 0.000 1.213 18 G CA -0.872 43.923 45.100 -0.508 0.000 0.926 18 G HN 0.433 nan 8.290 nan 0.000 0.523 19 P HA 0.225 nan 4.420 nan 0.000 0.271 19 P C -0.764 176.726 177.300 0.316 0.000 1.216 19 P CA -0.021 63.214 63.100 0.225 0.000 0.771 19 P CB 1.207 33.036 31.700 0.216 0.000 0.864 20 K N 1.765 122.285 120.400 0.201 0.000 3.084 20 K HA 0.248 4.568 4.320 0.000 0.000 0.210 20 K C -0.120 176.538 176.600 0.096 0.000 1.137 20 K CA -0.501 55.865 56.287 0.133 0.000 1.010 20 K CB 1.134 33.678 32.500 0.074 0.000 0.806 20 K HN 0.229 nan 8.250 nan 0.000 0.460 21 V N 1.194 121.175 119.914 0.111 0.000 2.546 21 V HA 0.205 4.325 4.120 0.000 0.000 0.284 21 V C -0.045 176.077 176.094 0.048 0.000 1.050 21 V CA -0.496 61.855 62.300 0.084 0.000 0.981 21 V CB 1.177 33.060 31.823 0.101 0.000 0.990 21 V HN 0.276 nan 8.190 nan 0.000 0.474 22 K N 4.484 124.907 120.400 0.038 0.000 2.219 22 K HA 0.209 4.529 4.320 0.000 0.000 0.258 22 K C -0.112 176.464 176.600 -0.042 0.000 1.008 22 K CA -0.439 55.855 56.287 0.012 0.000 0.928 22 K CB 0.581 33.102 32.500 0.035 0.000 0.983 22 K HN 0.751 nan 8.250 nan 0.000 0.484 23 Q N 3.201 122.957 119.800 -0.074 0.000 2.267 23 Q HA 0.090 4.430 4.340 0.000 0.000 0.255 23 Q C -1.125 174.830 176.000 -0.074 0.000 0.923 23 Q CA -0.308 55.380 55.803 -0.191 0.000 0.925 23 Q CB 0.568 29.224 28.738 -0.138 0.000 1.195 23 Q HN 0.458 nan 8.270 nan 0.000 0.417 24 W N 4.614 125.933 121.300 0.032 0.000 2.251 24 W HA 0.508 5.168 4.660 0.000 0.000 0.329 24 W C -2.245 174.281 176.519 0.013 0.000 1.234 24 W CA -2.689 54.663 57.345 0.013 0.000 1.228 24 W CB -0.791 28.664 29.460 -0.008 0.000 1.135 24 W HN 0.393 nan 8.180 nan 0.000 0.576 25 P HA 0.130 nan 4.420 nan 0.000 0.267 25 P C -0.623 176.816 177.300 0.232 0.000 1.205 25 P CA 0.173 63.385 63.100 0.187 0.000 0.765 25 P CB 1.094 32.861 31.700 0.112 0.000 0.828 26 L N 1.664 122.993 121.223 0.177 0.000 0.000 26 L HA 0.494 4.834 4.340 0.000 0.000 0.000 26 L C 1.055 177.972 176.870 0.078 0.000 0.000 26 L CA -0.870 54.068 54.840 0.162 0.000 0.000 26 L CB 0.572 42.726 42.059 0.158 0.000 0.000 26 L HN 0.226 nan 8.230 nan 0.000 0.000 27 T N -0.732 113.855 114.554 0.056 0.000 2.913 27 T HA 0.011 4.361 4.350 0.000 0.000 0.297 27 T C 0.964 175.661 174.700 -0.005 0.000 1.029 27 T CA -0.331 61.783 62.100 0.024 0.000 1.104 27 T CB 1.328 70.210 68.868 0.025 0.000 0.964 27 T HN 0.630 nan 8.240 nan 0.000 0.532 28 E N 1.447 121.643 120.200 -0.006 0.000 2.150 28 E HA -0.180 4.170 4.350 0.000 0.000 0.193 28 E C 1.878 178.450 176.600 -0.047 0.000 0.985 28 E CA 1.023 57.411 56.400 -0.019 0.000 0.814 28 E CB 0.119 29.815 29.700 -0.006 0.000 0.752 28 E HN 0.816 nan 8.360 nan 0.000 0.466 29 E N 0.816 120.990 120.200 -0.043 0.000 2.031 29 E HA -0.219 4.131 4.350 0.000 0.000 0.193 29 E C 1.981 178.443 176.600 -0.231 0.000 0.994 29 E CA 1.258 57.620 56.400 -0.064 0.000 0.800 29 E CB 0.089 29.800 29.700 0.018 0.000 0.752 29 E HN 0.145 nan 8.360 nan 0.000 0.447 30 K N 0.178 120.402 120.400 -0.293 0.000 2.026 30 K HA -0.123 4.197 4.320 0.000 0.000 0.208 30 K C 2.314 178.709 176.600 -0.341 0.000 1.048 30 K CA 1.521 57.511 56.287 -0.495 0.000 0.929 30 K CB -0.201 32.130 32.500 -0.281 0.000 0.713 30 K HN 0.218 nan 8.250 nan 0.000 0.439 31 I N 1.142 121.612 120.570 -0.167 0.000 2.226 31 I HA -0.292 3.878 4.170 0.000 0.000 0.245 31 I C 2.404 178.452 176.117 -0.116 0.000 1.100 31 I CA 1.215 62.455 61.300 -0.101 0.000 1.374 31 I CB -0.140 37.833 38.000 -0.044 0.000 1.057 31 I HN 0.055 nan 8.210 nan 0.000 0.413 32 K N 1.037 121.363 120.400 -0.124 0.000 2.097 32 K HA -0.086 4.234 4.320 0.000 0.000 0.206 32 K C 2.007 178.525 176.600 -0.138 0.000 1.049 32 K CA 1.461 57.688 56.287 -0.099 0.000 0.933 32 K CB -0.206 32.251 32.500 -0.072 0.000 0.717 32 K HN 0.317 nan 8.250 nan 0.000 0.442 33 A N -0.422 122.239 122.820 -0.266 0.000 2.119 33 A HA 0.008 4.328 4.320 0.000 0.000 0.216 33 A C 1.714 179.100 177.584 -0.330 0.000 1.152 33 A CA 0.743 52.551 52.037 -0.381 0.000 0.708 33 A CB -0.145 18.303 19.000 -0.921 0.000 0.805 33 A HN 0.262 nan 8.150 nan 0.000 0.460 34 L N -0.997 120.072 121.223 -0.257 0.000 2.513 34 L HA 0.128 4.468 4.340 0.000 0.000 0.222 34 L C 2.050 178.877 176.870 -0.071 0.000 1.096 34 L CA 0.935 55.683 54.840 -0.153 0.000 0.857 34 L CB 0.258 42.249 42.059 -0.114 0.000 1.026 34 L HN 0.142 nan 8.230 nan 0.000 0.469 35 V N -0.876 119.003 119.914 -0.058 0.000 2.548 35 V HA -0.180 3.940 4.120 0.000 0.000 0.249 35 V C 2.209 178.286 176.094 -0.027 0.000 1.055 35 V CA 1.348 63.640 62.300 -0.012 0.000 1.065 35 V CB -0.462 31.359 31.823 -0.004 0.000 0.681 35 V HN 0.434 nan 8.190 nan 0.000 0.462 36 E N 0.350 120.524 120.200 -0.044 0.000 2.077 36 E HA -0.177 4.173 4.350 0.000 0.000 0.193 36 E C 2.213 178.779 176.600 -0.056 0.000 0.989 36 E CA 1.360 57.738 56.400 -0.036 0.000 0.800 36 E CB -0.133 29.555 29.700 -0.020 0.000 0.746 36 E HN 0.448 nan 8.360 nan 0.000 0.452 37 I N 0.756 121.279 120.570 -0.078 0.000 2.252 37 I HA -0.235 3.935 4.170 0.000 0.000 0.245 37 I C 2.326 178.341 176.117 -0.169 0.000 1.102 37 I CA 0.953 62.180 61.300 -0.123 0.000 1.385 37 I CB -1.330 36.584 38.000 -0.145 0.000 1.064 37 I HN 0.234 nan 8.210 nan 0.000 0.414 38 C N 0.654 119.859 119.300 -0.158 0.000 2.468 38 C HA -0.039 4.421 4.460 0.000 0.000 0.277 38 C C 2.914 177.738 174.990 -0.276 0.000 1.400 38 C CA 0.933 59.789 59.018 -0.270 0.000 1.770 38 C CB -0.946 26.647 27.740 -0.245 0.000 1.905 38 C HN 0.529 nan 8.230 nan 0.000 0.519 39 T N 0.024 114.503 114.554 -0.124 0.000 2.894 39 T HA -0.130 4.220 4.350 0.000 0.000 0.258 39 T C 1.760 176.417 174.700 -0.073 0.000 1.043 39 T CA 1.021 63.083 62.100 -0.063 0.000 1.141 39 T CB -0.201 68.657 68.868 -0.017 0.000 0.873 39 T HN 0.630 nan 8.240 nan 0.000 0.449 40 E N 0.809 120.962 120.200 -0.080 0.000 2.110 40 E HA -0.092 4.258 4.350 0.000 0.000 0.193 40 E C 2.071 178.625 176.600 -0.076 0.000 0.988 40 E CA 0.987 57.348 56.400 -0.065 0.000 0.804 40 E CB -0.099 29.561 29.700 -0.066 0.000 0.745 40 E HN 0.463 nan 8.360 nan 0.000 0.458 41 M N -0.030 119.495 119.600 -0.126 0.000 2.349 41 M HA -0.082 4.398 4.480 0.000 0.000 0.266 41 M C 2.138 178.376 176.300 -0.104 0.000 1.076 41 M CA 0.930 56.159 55.300 -0.119 0.000 1.126 41 M CB 0.030 32.520 32.600 -0.182 0.000 1.392 41 M HN -0.006 nan 8.290 nan 0.000 0.440 42 E N 1.983 122.099 120.200 -0.140 0.000 2.046 42 E HA -0.191 4.159 4.350 0.000 0.000 0.190 42 E C 1.769 178.354 176.600 -0.025 0.000 0.982 42 E CA 1.744 58.092 56.400 -0.088 0.000 0.800 42 E CB -0.183 29.477 29.700 -0.067 0.000 0.756 42 E HN 0.531 nan 8.360 nan 0.000 0.449 43 K N 0.036 120.423 120.400 -0.021 0.000 2.283 43 K HA -0.077 4.243 4.320 0.000 0.000 0.202 43 K C 1.515 178.118 176.600 0.004 0.000 1.048 43 K CA 1.500 57.785 56.287 -0.003 0.000 0.948 43 K CB -0.053 32.445 32.500 -0.002 0.000 0.742 43 K HN 0.109 nan 8.250 nan 0.000 0.458 44 E N 0.142 120.342 120.200 0.001 0.000 2.479 44 E HA 0.074 4.424 4.350 0.000 0.000 0.193 44 E C 0.501 177.120 176.600 0.032 0.000 1.049 44 E CA 0.238 56.650 56.400 0.019 0.000 0.870 44 E CB 0.465 30.178 29.700 0.023 0.000 0.944 44 E HN 0.607 nan 8.360 nan 0.000 0.492 45 G N 1.991 110.804 108.800 0.022 0.000 2.155 45 G HA2 -0.380 3.580 3.960 0.000 0.000 0.257 45 G HA3 -0.380 3.580 3.960 0.000 0.000 0.257 45 G C 0.865 175.797 174.900 0.055 0.000 0.983 45 G CA 0.868 45.989 45.100 0.035 0.000 0.676 45 G HN 0.268 nan 8.290 nan 0.000 0.528 46 K N -0.396 120.037 120.400 0.056 0.000 2.155 46 K HA 0.211 4.531 4.320 0.000 0.000 0.203 46 K C 1.495 178.153 176.600 0.096 0.000 1.052 46 K CA 1.399 57.754 56.287 0.115 0.000 0.948 46 K CB 0.058 32.648 32.500 0.150 0.000 0.728 46 K HN 0.818 nan 8.250 nan 0.000 0.448 47 I N -3.718 116.841 120.570 -0.019 0.000 2.892 47 I HA 0.437 4.607 4.170 0.000 0.000 0.306 47 I C -0.835 175.268 176.117 -0.023 0.000 1.078 47 I CA -0.992 60.259 61.300 -0.082 0.000 1.032 47 I CB 2.447 40.279 38.000 -0.280 0.000 1.229 47 I HN -0.346 nan 8.210 nan 0.000 0.435 48 S N 1.843 117.563 115.700 0.033 0.000 2.536 48 S HA 0.395 4.865 4.470 0.000 0.000 0.287 48 S C -0.753 173.921 174.600 0.122 0.000 1.101 48 S CA -0.733 57.510 58.200 0.072 0.000 0.950 48 S CB 1.834 65.065 63.200 0.052 0.000 1.056 48 S HN 0.634 nan 8.310 nan 0.000 0.481 49 K N 2.866 123.342 120.400 0.127 0.000 2.368 49 K HA 0.356 4.676 4.320 0.000 0.000 0.282 49 K C -0.785 175.791 176.600 -0.040 0.000 1.035 49 K CA -0.055 56.246 56.287 0.023 0.000 0.973 49 K CB 0.067 32.555 32.500 -0.020 0.000 0.957 49 K HN 0.538 nan 8.250 nan 0.000 0.474 50 I N 1.320 121.831 120.570 -0.097 0.000 2.509 50 I HA 0.480 4.650 4.170 0.000 0.000 0.293 50 I C 0.505 176.564 176.117 -0.097 0.000 1.020 50 I CA -0.921 60.334 61.300 -0.074 0.000 1.088 50 I CB 2.046 40.017 38.000 -0.048 0.000 1.267 50 I HN 0.581 nan 8.210 nan 0.000 0.430 51 G N 3.684 112.441 108.800 -0.073 0.000 2.624 51 G HA2 0.388 4.348 3.960 0.000 0.000 0.217 51 G HA3 0.388 4.348 3.960 0.000 0.000 0.217 51 G C -1.499 173.357 174.900 -0.072 0.000 1.506 51 G CA -0.576 44.480 45.100 -0.074 0.000 1.072 51 G HN 0.602 nan 8.290 nan 0.000 0.568 52 P HA 0.025 nan 4.420 nan 0.000 0.245 52 P C 0.881 178.143 177.300 -0.063 0.000 1.212 52 P CA 0.714 63.775 63.100 -0.064 0.000 0.774 52 P CB 0.274 31.941 31.700 -0.055 0.000 0.999 53 E N -0.583 119.584 120.200 -0.054 0.000 2.494 53 E HA -0.014 4.336 4.350 0.000 0.000 0.193 53 E C 0.095 176.662 176.600 -0.055 0.000 1.074 53 E CA 0.078 56.449 56.400 -0.048 0.000 0.867 53 E CB -0.584 29.098 29.700 -0.031 0.000 0.924 53 E HN 0.143 nan 8.360 nan 0.000 0.502 54 N N 2.103 120.762 118.700 -0.069 0.000 2.626 54 N HA 0.145 4.885 4.740 0.000 0.000 0.242 54 N C -1.929 173.476 175.510 -0.176 0.000 1.005 54 N CA -1.464 51.546 53.050 -0.067 0.000 0.905 54 N CB 1.688 40.177 38.487 0.002 0.000 1.128 54 N HN -0.092 nan 8.380 nan 0.000 0.512 55 P HA 0.023 nan 4.420 nan 0.000 0.245 55 P C -0.441 176.570 177.300 -0.482 0.000 1.212 55 P CA 0.344 63.171 63.100 -0.454 0.000 0.774 55 P CB 0.027 31.421 31.700 -0.511 0.000 0.999 56 Y N 0.818 121.148 120.300 0.049 0.000 2.301 56 Y HA 0.528 5.078 4.550 -0.000 0.000 0.325 56 Y C 1.054 177.000 175.900 0.077 0.000 1.203 56 Y CA -0.557 57.592 58.100 0.082 0.000 1.255 56 Y CB 0.370 38.908 38.460 0.129 0.000 1.232 56 Y HN -0.114 nan 8.280 nan 0.000 0.501 57 N N -0.013 118.834 118.700 0.245 0.000 2.446 57 N HA 0.495 5.235 4.740 0.000 0.000 0.272 57 N C -1.850 173.769 175.510 0.181 0.000 1.127 57 N CA -0.515 52.638 53.050 0.172 0.000 0.896 57 N CB 2.024 40.557 38.487 0.075 0.000 1.658 57 N HN 0.646 nan 8.380 nan 0.000 0.483 58 T N 1.932 116.581 114.554 0.157 0.000 2.956 58 T HA 0.546 4.896 4.350 0.000 0.000 0.312 58 T C -2.940 171.717 174.700 -0.072 0.000 1.151 58 T CA -0.926 61.220 62.100 0.076 0.000 1.024 58 T CB 2.421 71.380 68.868 0.153 0.000 1.140 58 T HN 0.334 nan 8.240 nan 0.000 0.473 59 P HA 0.393 nan 4.420 nan 0.000 0.279 59 P C -0.653 176.429 177.300 -0.364 0.000 1.239 59 P CA -0.443 62.344 63.100 -0.521 0.000 0.789 59 P CB 0.898 31.840 31.700 -1.264 0.000 0.933 60 V N 0.780 120.554 119.914 -0.234 0.000 2.919 60 V HA 0.849 4.969 4.120 0.000 0.000 0.316 60 V C -0.195 176.018 176.094 0.198 0.000 1.077 60 V CA -0.752 61.523 62.300 -0.041 0.000 0.977 60 V CB 1.344 33.130 31.823 -0.061 0.000 1.039 60 V HN 0.655 nan 8.190 nan 0.000 0.441 61 F N -0.384 119.565 119.950 -0.001 0.000 3.129 61 F HA 1.046 5.573 4.527 0.000 0.000 0.326 61 F C -0.542 175.305 175.800 0.078 0.000 1.202 61 F CA -1.163 56.902 58.000 0.109 0.000 0.929 61 F CB 0.993 40.167 39.000 0.291 0.000 1.473 61 F HN 1.004 nan 8.300 nan 0.000 0.512 62 A N 0.864 123.780 122.820 0.160 0.000 2.517 62 A HA 0.737 5.056 4.320 0.000 0.000 0.297 62 A C -1.932 175.862 177.584 0.349 0.000 1.050 62 A CA -0.494 51.605 52.037 0.104 0.000 0.694 62 A CB 1.262 20.325 19.000 0.104 0.000 1.277 62 A HN 0.946 nan 8.150 nan 0.000 0.400 63 I N 1.036 121.761 120.570 0.258 0.000 2.707 63 I HA 0.419 4.589 4.170 0.000 0.000 0.309 63 I C 0.029 176.241 176.117 0.159 0.000 1.001 63 I CA -0.825 60.622 61.300 0.244 0.000 1.129 63 I CB 1.857 39.932 38.000 0.125 0.000 1.308 63 I HN 0.721 nan 8.210 nan 0.000 0.466 64 K N 4.182 124.540 120.400 -0.070 0.000 2.154 64 K HA 0.322 4.642 4.320 0.000 0.000 0.264 64 K C -0.686 175.787 176.600 -0.212 0.000 1.008 64 K CA -0.572 55.483 56.287 -0.387 0.000 0.937 64 K CB 0.882 33.100 32.500 -0.471 0.000 1.002 64 K HN 0.401 nan 8.250 nan 0.000 0.469 65 K N 1.500 121.760 120.400 -0.234 0.000 2.090 65 K HA 0.128 4.448 4.320 0.000 0.000 0.250 65 K C 1.003 177.527 176.600 -0.126 0.000 1.004 65 K CA -0.641 55.562 56.287 -0.139 0.000 0.919 65 K CB 0.675 33.107 32.500 -0.114 0.000 1.045 65 K HN 0.335 nan 8.250 nan 0.000 0.471 66 K N 1.118 121.465 120.400 -0.088 0.000 2.127 66 K HA -0.186 4.134 4.320 0.000 0.000 0.208 66 K C 0.241 176.800 176.600 -0.069 0.000 1.047 66 K CA 1.793 58.037 56.287 -0.072 0.000 0.927 66 K CB -0.043 32.425 32.500 -0.054 0.000 0.716 66 K HN 0.520 nan 8.250 nan 0.000 0.450 67 D N -0.115 120.243 120.400 -0.070 0.000 2.463 67 D HA 0.144 4.784 4.640 0.000 0.000 0.224 67 D C -0.122 176.125 176.300 -0.088 0.000 1.174 67 D CA -0.059 53.903 54.000 -0.062 0.000 0.829 67 D CB 0.570 41.346 40.800 -0.040 0.000 0.993 67 D HN -0.064 nan 8.370 nan 0.000 0.497 68 S N -0.819 114.802 115.700 -0.132 0.000 3.160 68 S HA -0.334 4.136 4.470 0.000 0.000 0.634 68 S C 1.383 175.871 174.600 -0.186 0.000 2.861 68 S CA 1.309 59.394 58.200 -0.192 0.000 3.097 68 S CB -0.851 62.250 63.200 -0.166 0.000 0.331 68 S HN 0.436 nan 8.310 nan 0.000 1.767 69 T N -0.323 114.110 114.554 -0.201 0.000 12.655 69 T HA -0.254 4.096 4.350 0.000 0.000 0.417 69 T C 0.182 174.785 174.700 -0.161 0.000 1.457 69 T CA 2.151 64.169 62.100 -0.136 0.000 2.398 69 T CB -0.833 67.996 68.868 -0.066 0.000 2.819 69 T HN 0.787 nan 8.240 nan 0.000 0.750 70 K N 0.483 120.778 120.400 -0.175 0.000 2.123 70 K HA 0.520 4.840 4.320 0.000 0.000 0.259 70 K C -0.567 175.892 176.600 -0.235 0.000 0.960 70 K CA -0.640 55.581 56.287 -0.110 0.000 0.872 70 K CB 1.228 33.709 32.500 -0.033 0.000 1.079 70 K HN 0.218 nan 8.250 nan 0.000 0.440 71 W N 1.184 122.462 121.300 -0.037 0.000 2.225 71 W HA 0.422 5.082 4.660 -0.000 0.000 0.377 71 W C 0.190 176.670 176.519 -0.064 0.000 1.418 71 W CA -0.397 56.923 57.345 -0.042 0.000 1.562 71 W CB 0.647 30.084 29.460 -0.039 0.000 1.297 71 W HN 0.320 nan 8.180 nan 0.000 0.686 72 R N 1.730 122.358 120.500 0.213 0.000 2.502 72 R HA 0.258 4.598 4.340 0.000 0.000 0.298 72 R C -0.980 175.328 176.300 0.014 0.000 1.018 72 R CA -0.806 55.333 56.100 0.065 0.000 0.899 72 R CB 1.026 31.334 30.300 0.013 0.000 1.181 72 R HN 0.423 nan 8.270 nan 0.000 0.444 73 K N 5.313 125.687 120.400 -0.043 0.000 2.312 73 K HA 0.268 4.588 4.320 0.000 0.000 0.287 73 K C -0.850 175.665 176.600 -0.142 0.000 1.062 73 K CA -0.130 56.090 56.287 -0.112 0.000 0.934 73 K CB 0.543 32.951 32.500 -0.153 0.000 1.027 73 K HN 0.489 nan 8.250 nan 0.000 0.478 74 L N 3.948 124.931 121.223 -0.401 0.000 2.333 74 L HA 0.567 4.907 4.340 0.000 0.000 0.269 74 L C -0.836 175.701 176.870 -0.556 0.000 1.010 74 L CA -1.367 53.124 54.840 -0.581 0.000 0.818 74 L CB 2.092 43.503 42.059 -1.079 0.000 1.306 74 L HN 0.301 nan 8.230 nan 0.000 0.430 75 V N -0.025 119.671 119.914 -0.364 0.000 2.531 75 V HA 0.192 4.312 4.120 0.000 0.000 0.301 75 V C -0.767 175.208 176.094 -0.198 0.000 1.034 75 V CA -0.579 61.477 62.300 -0.407 0.000 0.865 75 V CB 1.895 33.185 31.823 -0.889 0.000 0.995 75 V HN 0.643 nan 8.190 nan 0.000 0.424 76 D N 3.303 123.721 120.400 0.029 0.000 2.558 76 D HA 0.252 4.892 4.640 0.000 0.000 0.221 76 D C 0.284 176.662 176.300 0.131 0.000 1.143 76 D CA -0.181 53.951 54.000 0.220 0.000 1.010 76 D CB -0.011 41.011 40.800 0.369 0.000 1.068 76 D HN 0.363 nan 8.370 nan 0.000 0.511 77 F N 1.243 121.324 119.950 0.218 0.000 2.695 77 F HA 0.220 4.747 4.527 0.000 0.000 0.301 77 F C 1.993 177.917 175.800 0.207 0.000 1.182 77 F CA -0.112 58.016 58.000 0.214 0.000 1.412 77 F CB -0.175 38.992 39.000 0.278 0.000 1.056 77 F HN 0.238 nan 8.300 nan 0.000 0.522 78 R N -0.086 120.617 120.500 0.337 0.000 2.211 78 R HA -0.225 4.115 4.340 0.000 0.000 0.240 78 R C 2.000 178.429 176.300 0.215 0.000 1.144 78 R CA 1.435 57.679 56.100 0.241 0.000 0.992 78 R CB -0.058 30.359 30.300 0.194 0.000 0.869 78 R HN 0.214 nan 8.270 nan 0.000 0.462 79 E N 0.552 120.896 120.200 0.240 0.000 2.042 79 E HA -0.099 4.251 4.350 0.000 0.000 0.189 79 E C 1.643 178.364 176.600 0.201 0.000 0.974 79 E CA 0.592 57.112 56.400 0.199 0.000 0.806 79 E CB -0.182 29.634 29.700 0.193 0.000 0.769 79 E HN 0.103 nan 8.360 nan 0.000 0.451 80 L N 1.169 122.554 121.223 0.270 0.000 2.093 80 L HA -0.074 4.266 4.340 0.000 0.000 0.208 80 L C 1.459 178.487 176.870 0.263 0.000 1.085 80 L CA 1.686 56.653 54.840 0.212 0.000 0.755 80 L CB -0.896 41.246 42.059 0.138 0.000 0.904 80 L HN 0.099 nan 8.230 nan 0.000 0.435 81 N N 0.230 119.109 118.700 0.298 0.000 2.137 81 N HA -0.217 4.523 4.740 0.000 0.000 0.190 81 N C 1.734 177.339 175.510 0.159 0.000 1.017 81 N CA 1.514 54.698 53.050 0.223 0.000 0.859 81 N CB -0.206 38.385 38.487 0.173 0.000 1.002 81 N HN 0.495 nan 8.380 nan 0.000 0.428 82 K N 0.521 121.007 120.400 0.143 0.000 2.062 82 K HA 0.023 4.343 4.320 0.000 0.000 0.205 82 K C 1.876 178.531 176.600 0.091 0.000 1.051 82 K CA 0.881 57.230 56.287 0.103 0.000 0.941 82 K CB -0.026 32.530 32.500 0.093 0.000 0.719 82 K HN 0.099 nan 8.250 nan 0.000 0.440 83 R N 0.476 121.033 120.500 0.095 0.000 2.299 83 R HA 0.046 4.386 4.340 0.000 0.000 0.197 83 R C 0.322 176.677 176.300 0.092 0.000 0.971 83 R CA 0.436 56.570 56.100 0.057 0.000 1.030 83 R CB 0.184 30.483 30.300 -0.002 0.000 0.932 83 R HN 0.033 nan 8.270 nan 0.000 0.477 84 T N 1.674 116.338 114.554 0.183 0.000 2.909 84 T HA 0.095 4.445 4.350 0.000 0.000 0.289 84 T C -0.038 174.747 174.700 0.142 0.000 1.005 84 T CA -0.714 61.550 62.100 0.273 0.000 1.084 84 T CB 1.349 70.508 68.868 0.485 0.000 0.975 84 T HN 0.220 nan 8.240 nan 0.000 0.509 85 Q N 1.561 121.398 119.800 0.061 0.000 2.432 85 Q HA 0.182 4.522 4.340 0.000 0.000 0.264 85 Q C -0.864 175.037 176.000 -0.166 0.000 1.035 85 Q CA -0.422 55.324 55.803 -0.094 0.000 0.908 85 Q CB 0.239 28.845 28.738 -0.219 0.000 1.280 85 Q HN 0.413 nan 8.270 nan 0.000 0.455 86 D N 0.716 121.033 120.400 -0.137 0.000 2.357 86 D HA 0.300 4.940 4.640 0.000 0.000 0.242 86 D C -0.974 175.164 176.300 -0.270 0.000 1.153 86 D CA 0.165 54.129 54.000 -0.061 0.000 0.918 86 D CB 0.431 41.239 40.800 0.012 0.000 1.181 86 D HN 0.359 nan 8.370 nan 0.000 0.435 87 F N -0.266 119.649 119.950 -0.058 0.000 2.746 87 F HA 0.510 5.037 4.527 0.000 0.000 0.378 87 F C -0.511 175.331 175.800 0.071 0.000 1.165 87 F CA -0.900 57.071 58.000 -0.048 0.000 1.089 87 F CB 1.080 39.973 39.000 -0.178 0.000 1.439 87 F HN 0.207 nan 8.300 nan 0.000 0.516 88 W N 2.131 123.495 121.300 0.107 0.000 2.647 88 W HA 0.315 4.975 4.660 0.000 0.000 0.328 88 W C -1.096 175.439 176.519 0.027 0.000 1.018 88 W CA -0.733 56.631 57.345 0.031 0.000 1.245 88 W CB 1.419 30.875 29.460 -0.007 0.000 1.356 88 W HN 0.383 nan 8.180 nan 0.000 0.443 89 E N 3.531 123.349 120.200 -0.637 0.000 2.351 89 E HA -0.022 4.328 4.350 0.000 0.000 0.266 89 E C 0.648 177.028 176.600 -0.367 0.000 1.031 89 E CA 0.082 56.218 56.400 -0.440 0.000 0.911 89 E CB 2.383 31.829 29.700 -0.423 0.000 0.986 89 E HN 0.395 nan 8.360 nan 0.000 0.446 90 V N 3.334 123.147 119.914 -0.167 0.000 3.406 90 V HA -0.080 4.040 4.120 0.000 0.000 0.263 90 V C 0.607 176.649 176.094 -0.087 0.000 1.172 90 V CA 0.874 63.132 62.300 -0.070 0.000 1.140 90 V CB 0.158 31.962 31.823 -0.032 0.000 0.784 90 V HN 0.452 nan 8.190 nan 0.000 0.467 91 Q N 0.360 120.081 119.800 -0.132 0.000 2.361 91 Q HA 0.229 4.569 4.340 0.000 0.000 0.250 91 Q C 0.394 176.345 176.000 -0.082 0.000 1.023 91 Q CA 0.126 55.861 55.803 -0.114 0.000 0.915 91 Q CB 1.586 30.227 28.738 -0.162 0.000 1.238 91 Q HN 0.408 nan 8.270 nan 0.000 0.451 92 L N 1.346 122.549 121.223 -0.034 0.000 2.477 92 L HA 0.259 4.599 4.340 0.000 0.000 0.220 92 L C 0.992 177.869 176.870 0.012 0.000 1.106 92 L CA 0.573 55.405 54.840 -0.014 0.000 0.851 92 L CB 0.526 42.591 42.059 0.009 0.000 0.994 92 L HN 0.665 nan 8.230 nan 0.000 0.462 93 G N -1.071 107.758 108.800 0.048 0.000 2.349 93 G HA2 0.398 4.358 3.960 0.000 0.000 0.294 93 G HA3 0.398 4.358 3.960 0.000 0.000 0.294 93 G C -1.616 173.385 174.900 0.169 0.000 1.380 93 G CA -0.796 44.352 45.100 0.080 0.000 0.811 93 G HN -0.134 nan 8.290 nan 0.000 0.519 94 I N 1.448 122.094 120.570 0.126 0.000 2.315 94 I HA 0.335 4.505 4.170 0.000 0.000 0.291 94 I C -2.029 174.109 176.117 0.034 0.000 1.006 94 I CA -1.686 59.659 61.300 0.074 0.000 1.265 94 I CB 1.547 39.555 38.000 0.013 0.000 1.387 94 I HN 0.119 nan 8.210 nan 0.000 0.475 95 P HA 0.111 nan 4.420 nan 0.000 0.271 95 P C -0.771 176.522 177.300 -0.011 0.000 1.216 95 P CA 0.023 63.194 63.100 0.117 0.000 0.771 95 P CB 0.381 32.297 31.700 0.359 0.000 0.864 96 H N 4.494 123.471 119.070 -0.155 0.000 2.466 96 H HA 0.162 4.717 4.556 -0.000 0.000 0.338 96 H C -1.588 173.459 175.328 -0.469 0.000 1.091 96 H CA -2.156 53.672 56.048 -0.367 0.000 1.207 96 H CB 2.187 31.720 29.762 -0.382 0.000 1.466 96 H HN 0.289 nan 8.280 nan 0.000 0.493 97 P HA -0.122 nan 4.420 nan 0.000 0.223 97 P C 0.927 177.739 177.300 -0.814 0.000 1.144 97 P CA 0.945 63.410 63.100 -1.059 0.000 0.783 97 P CB 0.178 30.865 31.700 -1.688 0.000 0.771 98 A N 0.095 122.530 122.820 -0.642 0.000 2.119 98 A HA 0.129 4.449 4.320 0.000 0.000 0.217 98 A C 2.385 180.207 177.584 0.397 0.000 1.153 98 A CA 1.372 53.532 52.037 0.204 0.000 0.692 98 A CB -1.363 17.996 19.000 0.599 0.000 0.799 98 A HN 0.323 nan 8.150 nan 0.000 0.458 99 G N -0.805 108.021 108.800 0.043 0.000 2.744 99 G HA2 0.302 4.262 3.960 0.000 0.000 0.211 99 G HA3 0.302 4.262 3.960 0.000 0.000 0.211 99 G C 0.580 175.554 174.900 0.123 0.000 1.146 99 G CA -0.277 44.821 45.100 -0.004 0.000 0.787 99 G HN 0.382 nan 8.290 nan 0.000 0.534 100 L N 0.849 122.052 121.223 -0.034 0.000 2.456 100 L HA 0.284 4.624 4.340 0.000 0.000 0.272 100 L C 0.036 176.938 176.870 0.054 0.000 1.189 100 L CA -0.105 54.621 54.840 -0.189 0.000 0.846 100 L CB 0.909 42.615 42.059 -0.588 0.000 1.111 100 L HN 0.014 nan 8.230 nan 0.000 0.475 101 K N 2.308 122.718 120.400 0.016 0.000 2.123 101 K HA 0.274 4.594 4.320 0.000 0.000 0.259 101 K C -0.615 175.923 176.600 -0.105 0.000 0.960 101 K CA -0.878 55.446 56.287 0.063 0.000 0.872 101 K CB 1.049 33.611 32.500 0.102 0.000 1.079 101 K HN 0.356 nan 8.250 nan 0.000 0.440 102 K N 2.814 123.178 120.400 -0.059 0.000 2.395 102 K HA 0.060 4.380 4.320 0.000 0.000 0.283 102 K C -0.360 176.192 176.600 -0.080 0.000 1.068 102 K CA 0.068 56.296 56.287 -0.099 0.000 1.039 102 K CB 0.080 32.599 32.500 0.032 0.000 0.924 102 K HN 0.159 nan 8.250 nan 0.000 0.468 103 K N 3.119 123.446 120.400 -0.121 0.000 2.156 103 K HA 0.135 4.455 4.320 0.000 0.000 0.254 103 K C 0.507 177.058 176.600 -0.080 0.000 0.950 103 K CA -0.633 55.602 56.287 -0.087 0.000 0.849 103 K CB 1.958 34.395 32.500 -0.105 0.000 1.100 103 K HN 0.488 nan 8.250 nan 0.000 0.434 104 K N 0.384 120.745 120.400 -0.066 0.000 2.148 104 K HA 0.008 4.328 4.320 0.000 0.000 0.204 104 K C -0.260 176.268 176.600 -0.121 0.000 1.050 104 K CA 0.931 57.180 56.287 -0.063 0.000 0.942 104 K CB 0.332 32.808 32.500 -0.040 0.000 0.724 104 K HN 0.421 nan 8.250 nan 0.000 0.446 105 S N -0.202 115.368 115.700 -0.218 0.000 2.566 105 S HA 0.383 4.853 4.470 0.000 0.000 0.273 105 S C -1.329 172.916 174.600 -0.590 0.000 1.157 105 S CA -0.927 56.992 58.200 -0.468 0.000 0.938 105 S CB 2.426 65.187 63.200 -0.733 0.000 1.087 105 S HN -0.083 nan 8.310 nan 0.000 0.474 106 V N 2.273 121.895 119.914 -0.488 0.000 2.914 106 V HA 0.895 5.015 4.120 0.000 0.000 0.314 106 V C -0.544 175.304 176.094 -0.410 0.000 1.084 106 V CA -0.770 61.197 62.300 -0.554 0.000 0.963 106 V CB 2.312 33.650 31.823 -0.809 0.000 1.025 106 V HN 1.041 nan 8.190 nan 0.000 0.432 107 T N -0.172 114.111 114.554 -0.452 0.000 3.483 107 T HA 0.512 4.862 4.350 0.000 0.000 0.329 107 T C -0.935 173.548 174.700 -0.362 0.000 1.014 107 T CA -0.602 61.365 62.100 -0.222 0.000 1.056 107 T CB 1.096 70.016 68.868 0.087 0.000 1.090 107 T HN 1.064 nan 8.240 nan 0.000 0.460 108 V N 2.696 122.399 119.914 -0.352 0.000 2.370 108 V HA 0.868 4.988 4.120 0.000 0.000 0.279 108 V C -1.115 175.024 176.094 0.075 0.000 1.029 108 V CA -0.680 61.510 62.300 -0.184 0.000 0.870 108 V CB 0.421 32.111 31.823 -0.222 0.000 0.984 108 V HN 0.781 nan 8.190 nan 0.000 0.451 109 L N 4.911 126.190 121.223 0.093 0.000 2.330 109 L HA 0.723 5.063 4.340 0.000 0.000 0.271 109 L C -0.023 176.947 176.870 0.167 0.000 1.013 109 L CA -0.121 54.800 54.840 0.135 0.000 0.816 109 L CB 1.529 43.637 42.059 0.082 0.000 1.287 109 L HN 0.736 nan 8.230 nan 0.000 0.435 110 D N 0.119 120.617 120.400 0.163 0.000 2.619 110 D HA 0.440 5.080 4.640 0.000 0.000 0.241 110 D C -1.420 174.956 176.300 0.126 0.000 1.087 110 D CA -0.310 53.783 54.000 0.155 0.000 0.851 110 D CB 2.840 43.732 40.800 0.154 0.000 1.474 110 D HN 0.184 nan 8.370 nan 0.000 0.478 111 V N 2.704 122.696 119.914 0.129 0.000 2.364 111 V HA 0.439 4.559 4.120 0.000 0.000 0.272 111 V C 1.174 177.328 176.094 0.100 0.000 1.036 111 V CA -0.615 61.761 62.300 0.126 0.000 0.880 111 V CB 1.141 33.072 31.823 0.179 0.000 0.991 111 V HN 0.601 nan 8.190 nan 0.000 0.460 112 G N 2.601 111.456 108.800 0.090 0.000 2.483 112 G HA2 0.354 4.314 3.960 0.000 0.000 0.248 112 G HA3 0.354 4.314 3.960 0.000 0.000 0.248 112 G C 0.189 175.146 174.900 0.096 0.000 1.248 112 G CA -0.071 45.075 45.100 0.076 0.000 0.838 112 G HN 0.901 nan 8.290 nan 0.000 0.566 113 D N -0.287 120.172 120.400 0.099 0.000 2.686 113 D HA -0.182 4.458 4.640 0.000 0.000 0.235 113 D C 1.686 178.095 176.300 0.182 0.000 1.160 113 D CA 1.091 55.203 54.000 0.187 0.000 0.645 113 D CB -0.885 40.028 40.800 0.188 0.000 1.039 113 D HN 0.704 nan 8.370 nan 0.000 0.423 114 A N -0.014 122.827 122.820 0.036 0.000 1.863 114 A HA -0.292 4.028 4.320 0.000 0.000 0.218 114 A C 1.819 179.388 177.584 -0.025 0.000 1.233 114 A CA 1.876 53.868 52.037 -0.074 0.000 0.655 114 A CB -0.859 17.869 19.000 -0.453 0.000 0.839 114 A HN 0.486 nan 8.150 nan 0.000 0.454 115 Y N -1.019 118.987 120.300 -0.489 0.000 2.274 115 Y HA -0.080 4.471 4.550 0.000 0.000 0.290 115 Y C 1.077 176.754 175.900 -0.372 0.000 1.145 115 Y CA 0.176 57.978 58.100 -0.495 0.000 1.203 115 Y CB -0.898 37.109 38.460 -0.754 0.000 0.984 115 Y HN 0.292 nan 8.280 nan 0.000 0.533 116 F N -0.671 119.392 119.950 0.189 0.000 2.705 116 F HA 0.273 4.800 4.527 0.000 0.000 0.355 116 F C 0.955 176.845 175.800 0.149 0.000 1.172 116 F CA 0.227 58.327 58.000 0.167 0.000 1.332 116 F CB -0.150 38.926 39.000 0.127 0.000 1.621 116 F HN -0.203 nan 8.300 nan 0.000 0.605 117 S N -0.802 115.049 115.700 0.251 0.000 2.671 117 S HA 0.157 4.627 4.470 0.000 0.000 0.231 117 S C -0.382 174.331 174.600 0.188 0.000 0.882 117 S CA -0.225 58.106 58.200 0.218 0.000 1.476 117 S CB 0.271 63.605 63.200 0.222 0.000 1.257 117 S HN -0.021 nan 8.310 nan 0.000 0.633 118 V N 3.726 123.742 119.914 0.170 0.000 2.444 118 V HA 0.470 4.590 4.120 0.000 0.000 0.294 118 V C -2.683 173.467 176.094 0.094 0.000 1.022 118 V CA -2.077 60.292 62.300 0.116 0.000 0.850 118 V CB 1.863 33.759 31.823 0.123 0.000 0.992 118 V HN 0.029 nan 8.190 nan 0.000 0.426 119 P HA 0.145 nan 4.420 nan 0.000 0.267 119 P C -0.832 176.508 177.300 0.067 0.000 1.200 119 P CA -0.176 62.975 63.100 0.086 0.000 0.772 119 P CB 0.577 32.325 31.700 0.080 0.000 0.855 120 L N 2.455 123.722 121.223 0.074 0.000 2.325 120 L HA 0.397 4.737 4.340 0.000 0.000 0.278 120 L C -0.159 176.747 176.870 0.060 0.000 1.023 120 L CA -0.752 54.119 54.840 0.051 0.000 0.811 120 L CB 1.023 43.109 42.059 0.046 0.000 1.249 120 L HN 0.208 nan 8.230 nan 0.000 0.431 121 D N 2.704 123.137 120.400 0.056 0.000 2.570 121 D HA -0.078 4.562 4.640 0.000 0.000 0.243 121 D C 1.057 177.407 176.300 0.083 0.000 1.171 121 D CA 0.780 54.824 54.000 0.072 0.000 0.879 121 D CB 0.701 41.548 40.800 0.078 0.000 1.143 121 D HN 0.674 nan 8.370 nan 0.000 0.511 122 E N 2.486 122.724 120.200 0.062 0.000 2.169 122 E HA -0.254 4.096 4.350 0.000 0.000 0.202 122 E C 0.931 177.546 176.600 0.026 0.000 1.016 122 E CA 1.322 57.749 56.400 0.044 0.000 0.817 122 E CB 0.124 29.846 29.700 0.038 0.000 0.736 122 E HN 0.604 nan 8.360 nan 0.000 0.462 123 D N -0.323 120.106 120.400 0.048 0.000 2.183 123 D HA -0.091 4.549 4.640 0.000 0.000 0.203 123 D C 1.456 177.743 176.300 -0.023 0.000 0.969 123 D CA 0.626 54.643 54.000 0.029 0.000 0.842 123 D CB -0.179 40.667 40.800 0.076 0.000 0.957 123 D HN 0.113 nan 8.370 nan 0.000 0.484 124 F N 1.499 121.374 119.950 -0.126 0.000 2.710 124 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 124 F C 1.967 177.557 175.800 -0.350 0.000 1.137 124 F CA 0.228 58.110 58.000 -0.197 0.000 1.444 124 F CB 0.177 39.133 39.000 -0.073 0.000 1.111 124 F HN -0.246 nan 8.300 nan 0.000 0.580 125 R N 0.376 120.791 120.500 -0.142 0.000 2.200 125 R HA -0.158 4.182 4.340 0.000 0.000 0.234 125 R C 1.909 178.064 176.300 -0.241 0.000 1.127 125 R CA 1.291 57.318 56.100 -0.122 0.000 0.989 125 R CB -0.265 30.031 30.300 -0.007 0.000 0.869 125 R HN 0.330 nan 8.270 nan 0.000 0.459 126 K N -0.058 120.039 120.400 -0.505 0.000 2.057 126 K HA -0.157 4.163 4.320 0.000 0.000 0.207 126 K C 1.393 177.743 176.600 -0.417 0.000 1.049 126 K CA 1.475 57.485 56.287 -0.462 0.000 0.931 126 K CB -0.173 31.962 32.500 -0.609 0.000 0.714 126 K HN 0.267 nan 8.250 nan 0.000 0.440 127 Y N 1.203 121.196 120.300 -0.511 0.000 2.583 127 Y HA -0.031 4.519 4.550 -0.000 0.000 0.293 127 Y C 1.885 177.659 175.900 -0.211 0.000 1.157 127 Y CA 0.639 58.385 58.100 -0.590 0.000 1.315 127 Y CB -0.892 36.985 38.460 -0.973 0.000 1.021 127 Y HN 0.075 nan 8.280 nan 0.000 0.536 128 T N -2.108 112.439 114.554 -0.011 0.000 3.273 128 T HA 0.604 4.954 4.350 0.000 0.000 0.254 128 T C 0.613 175.662 174.700 0.583 0.000 1.002 128 T CA -0.177 62.118 62.100 0.325 0.000 0.913 128 T CB -0.638 68.364 68.868 0.223 0.000 1.056 128 T HN 0.218 nan 8.240 nan 0.000 0.576 129 A N 1.770 124.842 122.820 0.419 0.000 2.401 129 A HA 0.663 4.983 4.320 0.000 0.000 0.259 129 A C -0.102 177.754 177.584 0.454 0.000 1.103 129 A CA -0.773 51.488 52.037 0.373 0.000 0.789 129 A CB -0.061 19.077 19.000 0.230 0.000 1.035 129 A HN 0.672 nan 8.150 nan 0.000 0.491 130 F N -0.327 119.709 119.950 0.143 0.000 2.764 130 F HA 0.916 5.443 4.527 -0.000 0.000 0.347 130 F C -0.304 175.518 175.800 0.037 0.000 1.151 130 F CA -1.165 56.879 58.000 0.073 0.000 1.021 130 F CB 1.091 40.128 39.000 0.062 0.000 1.438 130 F HN 0.362 nan 8.300 nan 0.000 0.516 131 T N 2.476 117.078 114.554 0.080 0.000 3.032 131 T HA 0.497 4.847 4.350 0.000 0.000 0.312 131 T C -1.222 173.499 174.700 0.036 0.000 1.078 131 T CA -0.347 61.713 62.100 -0.067 0.000 1.028 131 T CB 1.594 70.421 68.868 -0.069 0.000 1.091 131 T HN 0.537 nan 8.240 nan 0.000 0.457 132 I N 5.214 125.786 120.570 0.003 0.000 2.312 132 I HA 0.330 4.500 4.170 0.000 0.000 0.290 132 I C -1.974 174.136 176.117 -0.011 0.000 1.008 132 I CA -2.796 58.538 61.300 0.056 0.000 1.226 132 I CB 1.061 39.130 38.000 0.116 0.000 1.371 132 I HN 0.360 nan 8.210 nan 0.000 0.468 133 P HA 0.181 nan 4.420 nan 0.000 0.277 133 P C -0.079 177.210 177.300 -0.018 0.000 1.240 133 P CA -0.248 62.841 63.100 -0.018 0.000 0.798 133 P CB 0.922 32.620 31.700 -0.003 0.000 0.979 134 S N 1.029 116.714 115.700 -0.026 0.000 2.626 134 S HA 0.125 4.595 4.470 0.000 0.000 0.257 134 S C 1.536 176.126 174.600 -0.016 0.000 1.288 134 S CA -0.433 57.753 58.200 -0.024 0.000 0.980 134 S CB -0.356 62.826 63.200 -0.030 0.000 0.975 134 S HN 0.289 nan 8.310 nan 0.000 0.577 135 I N 1.273 121.833 120.570 -0.016 0.000 2.361 135 I HA -0.111 4.059 4.170 0.000 0.000 0.251 135 I C 1.555 177.667 176.117 -0.008 0.000 1.133 135 I CA 1.641 62.933 61.300 -0.013 0.000 1.413 135 I CB -1.061 36.931 38.000 -0.013 0.000 1.073 135 I HN 0.905 nan 8.210 nan 0.000 0.424 136 N N -1.889 116.805 118.700 -0.009 0.000 2.167 136 N HA 0.119 4.859 4.740 0.000 0.000 0.234 136 N C -0.454 175.053 175.510 -0.007 0.000 1.312 136 N CA -0.485 52.562 53.050 -0.006 0.000 0.861 136 N CB 0.015 38.498 38.487 -0.006 0.000 1.217 136 N HN 0.050 nan 8.380 nan 0.000 0.504 137 N N 0.881 119.575 118.700 -0.010 0.000 2.525 137 N HA -0.155 4.585 4.740 0.000 0.000 0.283 137 N C -0.339 175.162 175.510 -0.014 0.000 1.259 137 N CA 0.799 53.842 53.050 -0.012 0.000 0.689 137 N CB -0.033 38.450 38.487 -0.005 0.000 0.899 137 N HN 0.613 nan 8.380 nan 0.000 0.541 138 E N 0.034 120.222 120.200 -0.020 0.000 2.067 138 E HA 0.087 4.437 4.350 0.000 0.000 0.194 138 E C 0.841 177.426 176.600 -0.024 0.000 0.950 138 E CA 1.062 57.449 56.400 -0.021 0.000 0.872 138 E CB 0.243 29.930 29.700 -0.022 0.000 0.877 138 E HN 0.589 nan 8.360 nan 0.000 0.470 139 T N 0.378 114.913 114.554 -0.032 0.000 2.598 139 T HA 0.351 4.701 4.350 0.000 0.000 0.254 139 T C -2.402 172.270 174.700 -0.047 0.000 0.889 139 T CA -1.238 60.840 62.100 -0.037 0.000 1.091 139 T CB 0.032 68.877 68.868 -0.037 0.000 1.437 139 T HN 0.005 nan 8.240 nan 0.000 0.542 140 P HA 0.372 nan 4.420 nan 0.000 0.274 140 P C 0.026 177.272 177.300 -0.090 0.000 1.231 140 P CA -0.194 62.862 63.100 -0.072 0.000 0.790 140 P CB 0.303 31.954 31.700 -0.081 0.000 0.951 141 G N 1.899 110.640 108.800 -0.098 0.000 2.599 141 G HA2 0.384 4.344 3.960 0.000 0.000 0.264 141 G HA3 0.384 4.344 3.960 0.000 0.000 0.264 141 G C 0.170 174.954 174.900 -0.193 0.000 1.200 141 G CA -0.751 44.278 45.100 -0.118 0.000 0.896 141 G HN 0.436 nan 8.290 nan 0.000 0.536 142 I N 0.511 120.925 120.570 -0.261 0.000 2.556 142 I HA 0.143 4.313 4.170 0.000 0.000 0.284 142 I C 1.412 177.164 176.117 -0.609 0.000 1.114 142 I CA -0.021 60.988 61.300 -0.485 0.000 1.418 142 I CB 0.829 38.435 38.000 -0.657 0.000 1.394 142 I HN 0.683 nan 8.210 nan 0.000 0.552 143 R N 4.282 124.414 120.500 -0.613 0.000 2.082 143 R HA 0.015 4.355 4.340 0.000 0.000 0.218 143 R C -0.644 175.282 176.300 -0.624 0.000 1.171 143 R CA 0.541 56.342 56.100 -0.499 0.000 0.914 143 R CB -0.191 29.927 30.300 -0.304 0.000 0.806 143 R HN 0.486 nan 8.270 nan 0.000 0.453 144 Y N -0.179 119.864 120.300 -0.427 0.000 2.535 144 Y HA -0.270 4.280 4.550 -0.000 0.000 0.023 144 Y C -0.338 175.273 175.900 -0.481 0.000 1.731 144 Y CA 0.062 57.833 58.100 -0.549 0.000 1.399 144 Y CB -1.057 36.865 38.460 -0.896 0.000 2.046 144 Y HN 0.440 nan 8.280 nan 0.000 0.258 145 Q N 0.243 120.057 119.800 0.024 0.000 2.668 145 Q HA 0.863 5.203 4.340 0.000 0.000 0.298 145 Q C -1.856 174.277 176.000 0.221 0.000 1.071 145 Q CA -1.409 54.515 55.803 0.202 0.000 0.789 145 Q CB 2.316 31.131 28.738 0.130 0.000 1.497 145 Q HN 0.483 nan 8.270 nan 0.000 0.460 146 Y N 0.456 120.913 120.300 0.261 0.000 2.361 146 Y HA 0.355 4.905 4.550 -0.000 0.000 0.332 146 Y C 0.338 176.311 175.900 0.122 0.000 1.101 146 Y CA -0.362 57.866 58.100 0.214 0.000 1.137 146 Y CB 1.588 40.167 38.460 0.198 0.000 1.207 146 Y HN 0.714 nan 8.280 nan 0.000 0.463 147 N N 0.676 119.558 118.700 0.303 0.000 2.197 147 N HA 0.115 4.855 4.740 0.000 0.000 0.201 147 N C -0.630 175.004 175.510 0.206 0.000 1.148 147 N CA 0.307 53.474 53.050 0.195 0.000 0.883 147 N CB 1.193 39.761 38.487 0.135 0.000 1.012 147 N HN 0.342 nan 8.380 nan 0.000 0.507 148 V N 0.445 120.544 119.914 0.308 0.000 3.181 148 V HA 0.419 4.539 4.120 0.000 0.000 0.314 148 V C -0.885 175.302 176.094 0.154 0.000 1.173 148 V CA -0.966 61.483 62.300 0.249 0.000 1.052 148 V CB 2.256 34.272 31.823 0.321 0.000 1.123 148 V HN -0.137 nan 8.190 nan 0.000 0.454 149 L N 5.653 126.886 121.223 0.016 0.000 2.456 149 L HA 0.366 4.706 4.340 0.000 0.000 0.277 149 L C -2.119 174.577 176.870 -0.289 0.000 1.124 149 L CA -1.118 53.642 54.840 -0.135 0.000 0.880 149 L CB 0.643 42.581 42.059 -0.202 0.000 1.192 149 L HN 0.470 nan 8.230 nan 0.000 0.463 150 P HA 0.041 nan 4.420 nan 0.000 0.275 150 P C -1.017 176.269 177.300 -0.024 0.000 1.227 150 P CA -0.534 62.287 63.100 -0.466 0.000 0.781 150 P CB 0.638 31.959 31.700 -0.632 0.000 0.906 151 Q N 1.125 120.904 119.800 -0.035 0.000 2.369 151 Q HA 0.412 4.752 4.340 0.000 0.000 0.247 151 Q C 0.922 176.979 176.000 0.094 0.000 1.083 151 Q CA 0.488 56.318 55.803 0.045 0.000 0.905 151 Q CB -0.130 28.585 28.738 -0.038 0.000 1.305 151 Q HN 0.880 nan 8.270 nan 0.000 0.465 152 G N 2.935 111.854 108.800 0.199 0.000 2.273 152 G HA2 -0.182 3.778 3.960 0.000 0.000 0.162 152 G HA3 -0.182 3.778 3.960 0.000 0.000 0.162 152 G C -0.947 174.212 174.900 0.432 0.000 1.006 152 G CA -0.765 44.480 45.100 0.243 0.000 0.704 152 G HN 0.574 nan 8.290 nan 0.000 0.487 153 W N 2.567 123.996 121.300 0.215 0.000 2.417 153 W HA 0.692 5.351 4.660 -0.000 0.000 0.317 153 W C 1.113 177.574 176.519 -0.097 0.000 1.121 153 W CA -0.987 56.395 57.345 0.061 0.000 1.208 153 W CB 1.324 30.680 29.460 -0.174 0.000 1.253 153 W HN -0.081 nan 8.180 nan 0.000 0.533 154 K N 2.625 122.645 120.400 -0.632 0.000 2.127 154 K HA -0.170 4.150 4.320 0.000 0.000 0.208 154 K C 1.693 177.559 176.600 -1.222 0.000 1.047 154 K CA 1.983 57.839 56.287 -0.718 0.000 0.927 154 K CB -0.622 31.576 32.500 -0.503 0.000 0.716 154 K HN 0.817 nan 8.250 nan 0.000 0.450 155 G N -0.260 107.195 108.800 -2.242 0.000 2.511 155 G HA2 -0.127 3.833 3.960 0.000 0.000 0.217 155 G HA3 -0.127 3.833 3.960 0.000 0.000 0.217 155 G C 1.516 175.559 174.900 -1.429 0.000 1.133 155 G CA 0.535 44.037 45.100 -2.664 0.000 0.792 155 G HN 0.252 nan 8.290 nan 0.000 0.539 156 S N 1.845 117.007 115.700 -0.897 0.000 2.359 156 S HA -0.112 4.358 4.470 0.000 0.000 0.223 156 S C 0.129 174.343 174.600 -0.644 0.000 1.039 156 S CA 1.761 59.617 58.200 -0.574 0.000 1.042 156 S CB -0.874 62.104 63.200 -0.370 0.000 0.915 156 S HN 0.345 nan 8.310 nan 0.000 0.439 157 P HA 0.029 nan 4.420 nan 0.000 0.215 157 P C 1.486 178.658 177.300 -0.214 0.000 1.157 157 P CA 1.403 64.377 63.100 -0.211 0.000 0.863 157 P CB -0.158 31.469 31.700 -0.122 0.000 0.787 158 A N -0.702 121.931 122.820 -0.310 0.000 1.933 158 A HA -0.180 4.140 4.320 0.000 0.000 0.218 158 A C 2.240 179.706 177.584 -0.197 0.000 1.175 158 A CA 1.498 53.391 52.037 -0.241 0.000 0.628 158 A CB -1.678 17.167 19.000 -0.258 0.000 0.814 158 A HN 0.114 nan 8.150 nan 0.000 0.444 159 I N -2.180 118.233 120.570 -0.262 0.000 2.252 159 I HA -0.184 3.986 4.170 0.000 0.000 0.245 159 I C 2.320 178.331 176.117 -0.177 0.000 1.102 159 I CA 1.371 62.564 61.300 -0.179 0.000 1.385 159 I CB -0.297 37.603 38.000 -0.166 0.000 1.064 159 I HN 0.445 nan 8.210 nan 0.000 0.414 160 F N 1.790 121.541 119.950 -0.330 0.000 2.075 160 F HA -0.288 4.239 4.527 0.000 0.000 0.297 160 F C 2.596 178.287 175.800 -0.181 0.000 1.113 160 F CA 1.844 59.676 58.000 -0.279 0.000 1.218 160 F CB -0.374 38.409 39.000 -0.362 0.000 0.984 160 F HN 0.009 nan 8.300 nan 0.000 0.472 161 Q N -0.595 119.114 119.800 -0.151 0.000 2.096 161 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 161 Q C 2.513 178.364 176.000 -0.248 0.000 0.982 161 Q CA 2.027 57.718 55.803 -0.187 0.000 0.850 161 Q CB -0.543 28.132 28.738 -0.105 0.000 0.901 161 Q HN 0.350 nan 8.270 nan 0.000 0.422 162 S N -0.455 115.123 115.700 -0.204 0.000 2.383 162 S HA -0.104 4.367 4.470 0.000 0.000 0.227 162 S C 1.919 176.384 174.600 -0.226 0.000 1.026 162 S CA 1.176 59.276 58.200 -0.166 0.000 0.981 162 S CB -0.071 63.065 63.200 -0.106 0.000 0.818 162 S HN 0.311 nan 8.310 nan 0.000 0.472 163 S N 0.851 116.363 115.700 -0.313 0.000 2.428 163 S HA 0.021 4.491 4.470 0.000 0.000 0.230 163 S C 1.689 175.984 174.600 -0.508 0.000 1.014 163 S CA 0.920 58.898 58.200 -0.370 0.000 0.957 163 S CB -0.209 62.778 63.200 -0.355 0.000 0.784 163 S HN 0.470 nan 8.310 nan 0.000 0.499 164 M N 1.846 121.081 119.600 -0.608 0.000 2.288 164 M HA 0.035 4.515 4.480 0.000 0.000 0.266 164 M C 1.805 177.897 176.300 -0.347 0.000 1.072 164 M CA 1.484 56.442 55.300 -0.571 0.000 1.132 164 M CB -1.131 31.091 32.600 -0.630 0.000 1.386 164 M HN 0.084 nan 8.290 nan 0.000 0.432 165 T N 0.239 114.633 114.554 -0.266 0.000 2.857 165 T HA -0.066 4.284 4.350 0.000 0.000 0.266 165 T C 1.787 176.399 174.700 -0.146 0.000 1.048 165 T CA 1.172 63.175 62.100 -0.160 0.000 1.139 165 T CB -0.100 68.699 68.868 -0.115 0.000 0.874 165 T HN 0.410 nan 8.240 nan 0.000 0.455 166 K N 0.421 120.704 120.400 -0.195 0.000 2.288 166 K HA 0.159 4.479 4.320 0.000 0.000 0.201 166 K C 2.030 178.494 176.600 -0.227 0.000 1.048 166 K CA 0.633 56.829 56.287 -0.153 0.000 0.956 166 K CB -0.117 32.304 32.500 -0.133 0.000 0.746 166 K HN 0.359 nan 8.250 nan 0.000 0.461 167 I N 0.701 120.988 120.570 -0.473 0.000 2.333 167 I HA -0.215 3.955 4.170 0.000 0.000 0.246 167 I C 1.757 177.799 176.117 -0.124 0.000 1.106 167 I CA 1.061 61.893 61.300 -0.780 0.000 1.411 167 I CB 0.066 37.412 38.000 -1.089 0.000 1.082 167 I HN 0.062 nan 8.210 nan 0.000 0.420 168 L N 0.341 121.521 121.223 -0.071 0.000 2.591 168 L HA -0.019 4.321 4.340 0.000 0.000 0.228 168 L C 2.296 179.233 176.870 0.112 0.000 1.133 168 L CA 0.274 55.154 54.840 0.067 0.000 0.880 168 L CB -0.353 41.711 42.059 0.008 0.000 1.033 168 L HN 0.284 nan 8.230 nan 0.000 0.450 169 E N 1.472 121.726 120.200 0.090 0.000 2.072 169 E HA -0.183 4.167 4.350 0.000 0.000 0.191 169 E C -0.627 176.046 176.600 0.122 0.000 0.985 169 E CA 1.031 57.482 56.400 0.085 0.000 0.801 169 E CB -0.360 29.374 29.700 0.058 0.000 0.750 169 E HN 0.319 nan 8.360 nan 0.000 0.452 170 P HA -0.049 nan 4.420 nan 0.000 0.218 170 P C 0.968 178.332 177.300 0.106 0.000 1.152 170 P CA 0.767 63.987 63.100 0.200 0.000 0.826 170 P CB -0.138 31.780 31.700 0.364 0.000 0.790 171 F N 0.735 120.618 119.950 -0.111 0.000 2.146 171 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 171 F C 2.143 177.866 175.800 -0.129 0.000 1.096 171 F CA 1.405 59.236 58.000 -0.283 0.000 1.275 171 F CB -0.193 38.464 39.000 -0.572 0.000 1.008 171 F HN -0.305 nan 8.300 nan 0.000 0.480 172 R N 0.215 120.725 120.500 0.016 0.000 2.148 172 R HA -0.132 4.208 4.340 0.000 0.000 0.227 172 R C 2.193 178.437 176.300 -0.093 0.000 1.103 172 R CA 1.289 57.369 56.100 -0.033 0.000 0.983 172 R CB -0.235 30.088 30.300 0.039 0.000 0.874 172 R HN 0.297 nan 8.270 nan 0.000 0.451 173 K N 0.515 120.872 120.400 -0.071 0.000 2.057 173 K HA -0.154 4.166 4.320 0.000 0.000 0.207 173 K C 1.952 178.486 176.600 -0.110 0.000 1.049 173 K CA 1.297 57.547 56.287 -0.062 0.000 0.931 173 K CB 0.063 32.548 32.500 -0.025 0.000 0.714 173 K HN 0.209 nan 8.250 nan 0.000 0.440 174 Q N -0.050 119.642 119.800 -0.180 0.000 2.472 174 Q HA 0.027 4.367 4.340 0.000 0.000 0.208 174 Q C -0.210 175.611 176.000 -0.297 0.000 0.958 174 Q CA 0.462 56.131 55.803 -0.224 0.000 0.932 174 Q CB 0.388 28.975 28.738 -0.252 0.000 1.007 174 Q HN 0.231 nan 8.270 nan 0.000 0.508 175 N N -0.071 118.431 118.700 -0.331 0.000 2.711 175 N HA 0.138 4.878 4.740 0.000 0.000 0.263 175 N C -2.458 172.961 175.510 -0.152 0.000 1.667 175 N CA -0.768 52.106 53.050 -0.294 0.000 0.785 175 N CB 1.479 39.660 38.487 -0.510 0.000 1.231 175 N HN -0.017 nan 8.380 nan 0.000 0.503 176 P HA -0.065 nan 4.420 nan 0.000 0.220 176 P C 0.625 177.910 177.300 -0.025 0.000 1.148 176 P CA 1.121 64.191 63.100 -0.050 0.000 0.803 176 P CB 0.374 32.048 31.700 -0.042 0.000 0.782 177 D N -0.931 119.452 120.400 -0.027 0.000 2.347 177 D HA 0.022 4.662 4.640 0.000 0.000 0.213 177 D C 0.825 177.133 176.300 0.014 0.000 0.985 177 D CA 0.463 54.460 54.000 -0.004 0.000 0.879 177 D CB 0.288 41.083 40.800 -0.007 0.000 0.919 177 D HN 0.270 nan 8.370 nan 0.000 0.526 178 I N 1.888 122.465 120.570 0.011 0.000 2.371 178 I HA 0.033 4.203 4.170 0.000 0.000 0.290 178 I C -0.024 176.136 176.117 0.073 0.000 1.028 178 I CA -0.462 60.867 61.300 0.047 0.000 1.345 178 I CB 1.855 39.890 38.000 0.058 0.000 1.407 178 I HN -0.348 nan 8.210 nan 0.000 0.501 179 V N 8.300 128.274 119.914 0.099 0.000 2.348 179 V HA 0.287 4.407 4.120 0.000 0.000 0.270 179 V C 0.259 176.469 176.094 0.193 0.000 1.037 179 V CA -0.210 62.176 62.300 0.144 0.000 0.872 179 V CB 0.670 32.614 31.823 0.202 0.000 1.002 179 V HN 0.457 nan 8.190 nan 0.000 0.464 180 I N 5.611 126.276 120.570 0.159 0.000 2.388 180 I HA 0.301 4.471 4.170 0.000 0.000 0.281 180 I C -0.691 175.548 176.117 0.204 0.000 1.046 180 I CA -0.590 60.819 61.300 0.182 0.000 1.187 180 I CB 0.623 38.697 38.000 0.123 0.000 1.351 180 I HN 0.462 nan 8.210 nan 0.000 0.472 181 Y N 5.424 125.824 120.300 0.168 0.000 2.637 181 Y HA 0.093 4.643 4.550 0.000 0.000 0.350 181 Y C 0.747 176.799 175.900 0.252 0.000 1.069 181 Y CA -0.166 58.040 58.100 0.176 0.000 1.397 181 Y CB 0.421 38.947 38.460 0.110 0.000 1.163 181 Y HN 0.514 nan 8.280 nan 0.000 0.527 182 Q N 3.288 123.245 119.800 0.262 0.000 2.325 182 Q HA 0.393 4.733 4.340 0.000 0.000 0.262 182 Q C -1.801 174.366 176.000 0.277 0.000 0.968 182 Q CA -0.968 54.984 55.803 0.248 0.000 0.877 182 Q CB 1.451 30.259 28.738 0.117 0.000 1.253 182 Q HN 0.649 nan 8.270 nan 0.000 0.448 183 Y N 5.972 126.388 120.300 0.194 0.000 2.363 183 Y HA 0.326 4.876 4.550 0.000 0.000 0.325 183 Y C 0.307 176.294 175.900 0.145 0.000 0.984 183 Y CA -0.577 57.603 58.100 0.134 0.000 1.248 183 Y CB 0.832 39.349 38.460 0.096 0.000 1.116 183 Y HN 0.949 nan 8.280 nan 0.000 0.470 184 M N 1.615 121.173 119.600 -0.070 0.000 7.319 184 M HA -0.369 4.111 4.480 0.000 0.000 0.288 184 M C 0.809 177.372 176.300 0.438 0.000 0.480 184 M CA 2.652 58.043 55.300 0.152 0.000 1.311 184 M CB -1.485 31.117 32.600 0.003 0.000 0.421 184 M HN 0.804 nan 8.290 nan 0.000 0.495 185 D N -0.756 119.838 120.400 0.322 0.000 2.469 185 D HA 0.239 4.879 4.640 0.000 0.000 0.213 185 D C -0.093 176.350 176.300 0.239 0.000 1.135 185 D CA 0.129 54.328 54.000 0.333 0.000 0.834 185 D CB -0.284 40.635 40.800 0.198 0.000 1.009 185 D HN 0.392 nan 8.370 nan 0.000 0.507 186 D N 0.928 121.481 120.400 0.255 0.000 2.393 186 D HA 0.258 4.898 4.640 0.000 0.000 0.232 186 D C -0.493 176.013 176.300 0.343 0.000 1.192 186 D CA -0.256 53.913 54.000 0.282 0.000 0.882 186 D CB 0.470 41.438 40.800 0.281 0.000 1.038 186 D HN 0.128 nan 8.370 nan 0.000 0.499 187 L N 4.031 125.423 121.223 0.281 0.000 2.298 187 L HA 0.330 4.670 4.340 0.000 0.000 0.284 187 L C -0.674 176.339 176.870 0.238 0.000 1.013 187 L CA -1.369 53.628 54.840 0.261 0.000 0.824 187 L CB 0.894 43.039 42.059 0.144 0.000 1.221 187 L HN 0.346 nan 8.230 nan 0.000 0.418 188 Y N 4.581 124.944 120.300 0.105 0.000 2.477 188 Y HA 0.489 5.039 4.550 -0.000 0.000 0.349 188 Y C -0.608 175.226 175.900 -0.110 0.000 0.977 188 Y CA -0.747 57.238 58.100 -0.191 0.000 1.214 188 Y CB 0.919 38.967 38.460 -0.686 0.000 1.124 188 Y HN 0.302 nan 8.280 nan 0.000 0.521 189 V N 6.400 126.171 119.914 -0.239 0.000 2.370 189 V HA 0.727 4.847 4.120 0.000 0.000 0.279 189 V C 0.431 176.338 176.094 -0.313 0.000 1.029 189 V CA -0.245 61.971 62.300 -0.141 0.000 0.870 189 V CB 0.973 32.740 31.823 -0.094 0.000 0.984 189 V HN 0.983 nan 8.190 nan 0.000 0.451 190 G N 2.880 111.582 108.800 -0.164 0.000 2.662 190 G HA2 0.701 4.661 3.960 0.000 0.000 0.302 190 G HA3 0.701 4.661 3.960 0.000 0.000 0.302 190 G C -0.647 174.273 174.900 0.033 0.000 1.389 190 G CA -0.207 44.797 45.100 -0.160 0.000 0.998 190 G HN 0.909 nan 8.290 nan 0.000 0.502 191 S N 0.071 115.825 115.700 0.091 0.000 2.667 191 S HA 0.571 5.041 4.470 0.000 0.000 0.292 191 S C -0.666 173.962 174.600 0.047 0.000 1.126 191 S CA -0.740 57.524 58.200 0.106 0.000 0.881 191 S CB 2.558 65.880 63.200 0.203 0.000 1.132 191 S HN 0.261 nan 8.310 nan 0.000 0.492 192 D N 0.530 120.955 120.400 0.042 0.000 2.368 192 D HA 0.359 4.999 4.640 0.000 0.000 0.218 192 D C 0.177 176.493 176.300 0.026 0.000 1.112 192 D CA 0.066 54.076 54.000 0.017 0.000 0.834 192 D CB -0.044 40.763 40.800 0.011 0.000 0.953 192 D HN 0.437 nan 8.370 nan 0.000 0.505 193 L N 0.719 121.978 121.223 0.061 0.000 2.456 193 L HA 0.183 4.523 4.340 0.000 0.000 0.257 193 L C 1.080 177.983 176.870 0.055 0.000 1.162 193 L CA -0.647 54.232 54.840 0.066 0.000 0.808 193 L CB 0.773 42.892 42.059 0.099 0.000 1.136 193 L HN -0.223 nan 8.230 nan 0.000 0.466 194 E N 0.857 121.087 120.200 0.049 0.000 2.354 194 E HA 0.084 4.434 4.350 0.000 0.000 0.269 194 E C 1.178 177.815 176.600 0.062 0.000 1.036 194 E CA -0.051 56.370 56.400 0.036 0.000 0.876 194 E CB 1.233 30.950 29.700 0.029 0.000 1.009 194 E HN 0.416 nan 8.360 nan 0.000 0.416 195 I N 1.479 122.070 120.570 0.034 0.000 2.227 195 I HA -0.350 3.820 4.170 0.000 0.000 0.250 195 I C 2.103 178.277 176.117 0.094 0.000 1.087 195 I CA 1.963 63.291 61.300 0.047 0.000 1.352 195 I CB -0.473 37.539 38.000 0.019 0.000 1.043 195 I HN 0.609 nan 8.210 nan 0.000 0.425 196 G N -0.257 108.585 108.800 0.071 0.000 2.394 196 G HA2 -0.168 3.792 3.960 0.000 0.000 0.214 196 G HA3 -0.168 3.792 3.960 0.000 0.000 0.214 196 G C 1.586 176.531 174.900 0.075 0.000 1.176 196 G CA 0.265 45.405 45.100 0.066 0.000 0.786 196 G HN 0.442 nan 8.290 nan 0.000 0.533 197 Q N -0.793 119.052 119.800 0.075 0.000 2.297 197 Q HA -0.040 4.300 4.340 0.000 0.000 0.204 197 Q C 2.108 178.159 176.000 0.084 0.000 0.962 197 Q CA 1.076 56.918 55.803 0.065 0.000 0.879 197 Q CB -0.085 28.684 28.738 0.051 0.000 0.947 197 Q HN 0.761 nan 8.270 nan 0.000 0.462 198 H N 1.008 120.090 119.070 0.020 0.000 2.284 198 H HA 0.053 4.609 4.556 0.000 0.000 0.304 198 H C 1.909 177.255 175.328 0.030 0.000 1.069 198 H CA 1.303 57.363 56.048 0.019 0.000 1.327 198 H CB 0.252 30.017 29.762 0.006 0.000 1.387 198 H HN -0.056 nan 8.280 nan 0.000 0.498 199 R N -0.371 120.220 120.500 0.152 0.000 2.211 199 R HA -0.111 4.229 4.340 0.000 0.000 0.240 199 R C 1.829 178.145 176.300 0.026 0.000 1.144 199 R CA 1.662 57.816 56.100 0.089 0.000 0.992 199 R CB -0.150 30.218 30.300 0.113 0.000 0.869 199 R HN 0.513 nan 8.270 nan 0.000 0.462 200 T N 0.411 114.980 114.554 0.025 0.000 2.851 200 T HA -0.005 4.345 4.350 0.000 0.000 0.262 200 T C 1.642 176.359 174.700 0.029 0.000 1.043 200 T CA 0.522 62.639 62.100 0.029 0.000 1.140 200 T CB 0.077 68.966 68.868 0.034 0.000 0.872 200 T HN 0.065 nan 8.240 nan 0.000 0.446 201 K N 1.137 121.542 120.400 0.009 0.000 2.148 201 K HA 0.078 4.398 4.320 0.000 0.000 0.204 201 K C 2.181 178.822 176.600 0.069 0.000 1.050 201 K CA 0.664 56.998 56.287 0.078 0.000 0.942 201 K CB -0.443 32.089 32.500 0.052 0.000 0.724 201 K HN 0.326 nan 8.250 nan 0.000 0.446 202 I N 1.107 121.635 120.570 -0.070 0.000 2.394 202 I HA -0.169 4.001 4.170 0.000 0.000 0.251 202 I C 1.978 178.074 176.117 -0.035 0.000 1.136 202 I CA 1.213 62.457 61.300 -0.094 0.000 1.425 202 I CB -0.865 37.066 38.000 -0.116 0.000 1.079 202 I HN 0.251 nan 8.210 nan 0.000 0.425 203 E N 0.480 120.684 120.200 0.006 0.000 2.285 203 E HA -0.140 4.210 4.350 0.000 0.000 0.194 203 E C 1.914 178.544 176.600 0.050 0.000 0.997 203 E CA 0.385 56.801 56.400 0.027 0.000 0.845 203 E CB 0.227 29.948 29.700 0.036 0.000 0.782 203 E HN 0.510 nan 8.360 nan 0.000 0.491 204 E N 0.456 120.707 120.200 0.086 0.000 2.112 204 E HA -0.096 4.254 4.350 0.000 0.000 0.190 204 E C 2.104 178.784 176.600 0.134 0.000 0.979 204 E CA 0.288 56.789 56.400 0.170 0.000 0.814 204 E CB 0.114 29.982 29.700 0.280 0.000 0.762 204 E HN 0.213 nan 8.360 nan 0.000 0.460 205 L N 1.114 122.278 121.223 -0.097 0.000 2.109 205 L HA -0.107 4.233 4.340 0.000 0.000 0.207 205 L C 2.453 179.206 176.870 -0.195 0.000 1.086 205 L CA 1.292 55.785 54.840 -0.578 0.000 0.760 205 L CB -0.213 41.401 42.059 -0.742 0.000 0.910 205 L HN 0.084 nan 8.230 nan 0.000 0.437 206 R N -0.512 119.944 120.500 -0.073 0.000 2.066 206 R HA -0.224 4.116 4.340 0.000 0.000 0.232 206 R C 2.246 178.572 176.300 0.043 0.000 1.131 206 R CA 1.639 57.736 56.100 -0.005 0.000 0.955 206 R CB -0.054 30.252 30.300 0.011 0.000 0.851 206 R HN 0.315 nan 8.270 nan 0.000 0.432 207 Q N -0.723 119.114 119.800 0.062 0.000 2.124 207 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 207 Q C 1.758 177.822 176.000 0.107 0.000 0.977 207 Q CA 1.961 57.811 55.803 0.078 0.000 0.850 207 Q CB -0.248 28.538 28.738 0.080 0.000 0.901 207 Q HN 0.467 nan 8.270 nan 0.000 0.429 208 H N -0.743 118.358 119.070 0.051 0.000 2.321 208 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 208 H C 1.565 177.028 175.328 0.225 0.000 1.087 208 H CA 1.835 57.956 56.048 0.121 0.000 1.319 208 H CB -0.109 29.706 29.762 0.089 0.000 1.379 208 H HN 0.246 nan 8.280 nan 0.000 0.501 209 L N -0.421 120.910 121.223 0.181 0.000 2.141 209 L HA -0.115 4.225 4.340 0.000 0.000 0.209 209 L C 2.239 179.199 176.870 0.150 0.000 1.094 209 L CA 0.630 55.561 54.840 0.151 0.000 0.763 209 L CB -0.252 41.854 42.059 0.078 0.000 0.908 209 L HN 0.321 nan 8.230 nan 0.000 0.437 210 L N -0.331 120.955 121.223 0.105 0.000 2.313 210 L HA -0.072 4.268 4.340 0.000 0.000 0.214 210 L C 2.496 179.410 176.870 0.074 0.000 1.119 210 L CA 1.418 56.311 54.840 0.088 0.000 0.809 210 L CB -0.450 41.647 42.059 0.064 0.000 0.933 210 L HN 0.052 nan 8.230 nan 0.000 0.449 211 R N -1.948 118.570 120.500 0.031 0.000 2.189 211 R HA -0.123 4.217 4.340 0.000 0.000 0.218 211 R C 1.351 177.628 176.300 -0.039 0.000 1.074 211 R CA 1.658 57.716 56.100 -0.070 0.000 0.991 211 R CB -0.289 29.885 30.300 -0.210 0.000 0.883 211 R HN 0.453 nan 8.270 nan 0.000 0.457 212 W N -0.615 120.622 121.300 -0.104 0.000 3.316 212 W HA 0.208 4.868 4.660 -0.000 0.000 0.327 212 W C 1.120 177.626 176.519 -0.022 0.000 1.232 212 W CA 0.247 57.543 57.345 -0.082 0.000 1.805 212 W CB 0.906 30.290 29.460 -0.128 0.000 1.090 212 W HN 0.286 nan 8.180 nan 0.000 0.654 213 G N 0.436 109.372 108.800 0.227 0.000 2.241 213 G HA2 -0.308 3.652 3.960 0.000 0.000 0.244 213 G HA3 -0.308 3.652 3.960 0.000 0.000 0.244 213 G C 0.136 175.128 174.900 0.154 0.000 0.998 213 G CA -0.102 45.100 45.100 0.169 0.000 0.621 213 G HN 0.097 nan 8.290 nan 0.000 0.519 214 L N 3.002 124.317 121.223 0.154 0.000 2.295 214 L HA 0.402 4.742 4.340 0.000 0.000 0.288 214 L C 0.514 177.454 176.870 0.116 0.000 1.079 214 L CA -0.339 54.583 54.840 0.136 0.000 0.830 214 L CB 0.705 42.829 42.059 0.107 0.000 1.200 214 L HN 0.118 nan 8.230 nan 0.000 0.438 215 T N 0.945 115.566 114.554 0.112 0.000 2.913 215 T HA 0.348 4.698 4.350 0.000 0.000 0.287 215 T C 0.356 175.108 174.700 0.087 0.000 1.008 215 T CA -0.414 61.740 62.100 0.091 0.000 1.067 215 T CB 1.284 70.203 68.868 0.085 0.000 0.996 215 T HN 0.484 nan 8.240 nan 0.000 0.513 216 T N 3.869 118.467 114.554 0.073 0.000 2.934 216 T HA 0.431 4.781 4.350 0.000 0.000 0.328 216 T C -2.442 172.296 174.700 0.063 0.000 1.068 216 T CA -1.103 61.039 62.100 0.071 0.000 1.018 216 T CB 1.064 69.970 68.868 0.063 0.000 1.009 216 T HN 0.331 nan 8.240 nan 0.000 0.471 217 P HA 0.243 nan 4.420 nan 0.000 0.277 217 P C -0.146 177.184 177.300 0.049 0.000 1.276 217 P CA -0.623 62.508 63.100 0.051 0.000 0.788 217 P CB 0.576 32.304 31.700 0.047 0.000 1.114 218 D N 0.932 121.355 120.400 0.039 0.000 2.801 218 D HA 0.062 4.702 4.640 0.000 0.000 0.232 218 D C 0.117 176.433 176.300 0.026 0.000 1.128 218 D CA 0.698 54.719 54.000 0.035 0.000 1.003 218 D CB -0.300 40.517 40.800 0.029 0.000 1.110 218 D HN 0.255 nan 8.370 nan 0.000 0.477 219 K N 2.051 122.472 120.400 0.035 0.000 3.218 219 K HA 0.061 4.381 4.320 0.000 0.000 0.187 219 K C -1.182 175.457 176.600 0.066 0.000 1.186 219 K CA -0.537 55.763 56.287 0.022 0.000 0.827 219 K CB 0.407 32.917 32.500 0.017 0.000 1.083 219 K HN 0.017 nan 8.250 nan 0.000 0.583 220 K N 0.271 120.720 120.400 0.082 0.000 2.471 220 K HA 0.331 4.651 4.320 0.000 0.000 0.252 220 K C -0.954 175.761 176.600 0.191 0.000 0.938 220 K CA -0.669 55.714 56.287 0.160 0.000 0.796 220 K CB 0.931 33.503 32.500 0.121 0.000 1.161 220 K HN 0.087 nan 8.250 nan 0.000 0.425 221 H N 3.502 122.680 119.070 0.179 0.000 2.955 221 H HA 0.014 4.570 4.556 -0.000 0.000 0.290 221 H C 0.000 175.515 175.328 0.312 0.000 1.047 221 H CA 0.228 56.445 56.048 0.282 0.000 1.484 221 H CB 1.016 31.078 29.762 0.501 0.000 1.501 221 H HN 0.696 nan 8.280 nan 0.000 0.521 222 Q N 2.691 122.695 119.800 0.340 0.000 1.714 222 Q HA 0.001 4.341 4.340 0.000 0.000 0.383 222 Q C 0.320 176.535 176.000 0.358 0.000 0.936 222 Q CA 0.572 56.536 55.803 0.268 0.000 0.888 222 Q CB 0.286 29.114 28.738 0.149 0.000 0.973 222 Q HN 0.264 nan 8.270 nan 0.000 0.420 223 K N 1.175 121.696 120.400 0.203 0.000 2.753 223 K HA 0.181 4.501 4.320 0.000 0.000 0.185 223 K C -1.801 174.758 176.600 -0.069 0.000 1.071 223 K CA 0.132 56.504 56.287 0.142 0.000 0.999 223 K CB 0.571 33.127 32.500 0.094 0.000 1.244 223 K HN 0.134 nan 8.250 nan 0.000 0.594 224 E N 3.008 122.996 120.200 -0.352 0.000 2.267 224 E HA 0.190 4.540 4.350 0.000 0.000 0.248 224 E C -2.196 173.868 176.600 -0.892 0.000 0.899 224 E CA -2.131 54.020 56.400 -0.415 0.000 0.764 224 E CB 1.678 31.241 29.700 -0.228 0.000 1.227 224 E HN 0.159 nan 8.360 nan 0.000 0.421 225 P HA -0.135 nan 4.420 nan 0.000 0.218 225 P C -2.146 174.953 177.300 -0.335 0.000 1.146 225 P CA 0.985 63.861 63.100 -0.373 0.000 0.820 225 P CB -0.490 31.181 31.700 -0.047 0.000 0.778 226 P HA 0.163 nan 4.420 nan 0.000 0.227 226 P C -0.846 176.400 177.300 -0.091 0.000 1.815 226 P CA -0.359 62.615 63.100 -0.209 0.000 1.134 226 P CB -0.518 31.172 31.700 -0.017 0.000 1.795 227 F N 2.377 122.349 119.950 0.036 0.000 2.445 227 F HA 0.195 4.722 4.527 0.000 0.000 0.359 227 F C 0.901 176.734 175.800 0.055 0.000 1.101 227 F CA -0.321 57.705 58.000 0.044 0.000 1.177 227 F CB 0.363 39.347 39.000 -0.028 0.000 1.110 227 F HN 0.049 nan 8.300 nan 0.000 0.522 228 L N 4.298 125.669 121.223 0.246 0.000 2.282 228 L HA 0.285 4.625 4.340 0.000 0.000 0.287 228 L C -0.945 176.047 176.870 0.204 0.000 1.075 228 L CA -0.406 54.590 54.840 0.260 0.000 0.839 228 L CB 0.141 42.394 42.059 0.323 0.000 1.219 228 L HN 0.674 nan 8.230 nan 0.000 0.434 229 W N 6.616 127.957 121.300 0.069 0.000 2.781 229 W HA 0.500 5.160 4.660 -0.000 0.000 0.333 229 W C 0.066 176.657 176.519 0.120 0.000 1.047 229 W CA -0.850 56.525 57.345 0.050 0.000 1.236 229 W CB 1.360 30.840 29.460 0.034 0.000 1.394 229 W HN 0.346 nan 8.180 nan 0.000 0.466 230 M N 5.138 124.417 119.600 -0.536 0.000 2.762 230 M HA -0.200 4.280 4.480 0.000 0.000 0.190 230 M C 1.016 177.104 176.300 -0.353 0.000 0.586 230 M CA 1.918 56.839 55.300 -0.633 0.000 0.620 230 M CB -2.381 29.484 32.600 -1.226 0.000 2.269 230 M HN 1.557 nan 8.290 nan 0.000 0.563 231 G N -1.308 107.361 108.800 -0.220 0.000 2.132 231 G HA2 -0.269 3.691 3.960 0.000 0.000 0.228 231 G HA3 -0.269 3.691 3.960 0.000 0.000 0.228 231 G C -0.378 174.330 174.900 -0.319 0.000 1.000 231 G CA 0.389 45.364 45.100 -0.208 0.000 0.693 231 G HN 0.561 nan 8.290 nan 0.000 0.515 232 Y N -0.458 119.925 120.300 0.140 0.000 2.662 232 Y HA 0.700 5.250 4.550 -0.000 0.000 0.335 232 Y C 0.424 176.456 175.900 0.221 0.000 1.066 232 Y CA -1.241 56.977 58.100 0.196 0.000 1.116 232 Y CB 1.382 39.945 38.460 0.171 0.000 1.308 232 Y HN 0.097 nan 8.280 nan 0.000 0.502 233 E N 1.905 122.360 120.200 0.426 0.000 2.216 233 E HA 0.453 4.803 4.350 0.000 0.000 0.260 233 E C -1.639 175.100 176.600 0.232 0.000 0.880 233 E CA -0.458 56.088 56.400 0.243 0.000 0.765 233 E CB 1.651 31.445 29.700 0.157 0.000 1.174 233 E HN 0.403 nan 8.360 nan 0.000 0.417 234 L N 3.727 125.088 121.223 0.229 0.000 2.287 234 L HA 0.439 4.779 4.340 0.000 0.000 0.287 234 L C -0.365 176.605 176.870 0.166 0.000 1.022 234 L CA -0.630 54.411 54.840 0.334 0.000 0.814 234 L CB 0.596 42.918 42.059 0.438 0.000 1.217 234 L HN 0.489 nan 8.230 nan 0.000 0.420 235 H N 3.157 122.458 119.070 0.386 0.000 2.533 235 H HA 0.265 4.821 4.556 0.000 0.000 0.343 235 H C -1.556 173.991 175.328 0.364 0.000 1.160 235 H CA -1.573 54.638 56.048 0.272 0.000 1.218 235 H CB 1.252 31.118 29.762 0.173 0.000 1.566 235 H HN 0.355 nan 8.280 nan 0.000 0.522 236 P HA -0.228 nan 4.420 nan 0.000 0.217 236 P C 0.425 177.952 177.300 0.378 0.000 1.148 236 P CA 1.602 64.884 63.100 0.304 0.000 0.828 236 P CB 0.497 32.306 31.700 0.182 0.000 0.783 237 D N -0.956 119.645 120.400 0.336 0.000 2.259 237 D HA 0.043 4.683 4.640 0.000 0.000 0.216 237 D C 0.606 176.996 176.300 0.151 0.000 0.961 237 D CA 0.942 55.085 54.000 0.238 0.000 0.878 237 D CB -0.176 40.687 40.800 0.104 0.000 1.009 237 D HN 0.148 nan 8.370 nan 0.000 0.490 238 K N -0.919 119.521 120.400 0.066 0.000 2.509 238 K HA 0.445 4.765 4.320 0.000 0.000 0.266 238 K C -1.103 175.442 176.600 -0.092 0.000 0.987 238 K CA -0.897 55.217 56.287 -0.289 0.000 0.868 238 K CB 2.588 34.903 32.500 -0.307 0.000 1.421 238 K HN 0.187 nan 8.250 nan 0.000 0.444 239 W N 0.064 121.186 121.300 -0.296 0.000 2.799 239 W HA 0.771 5.431 4.660 0.000 0.000 0.349 239 W C -0.913 175.619 176.519 0.022 0.000 1.100 239 W CA -0.869 56.440 57.345 -0.060 0.000 1.174 239 W CB 0.970 30.337 29.460 -0.154 0.000 1.427 239 W HN 0.676 nan 8.180 nan 0.000 0.547 240 T N -1.142 113.620 114.554 0.347 0.000 2.787 240 T HA 0.596 4.946 4.350 0.000 0.000 0.297 240 T C -0.307 174.702 174.700 0.514 0.000 1.221 240 T CA -0.687 61.531 62.100 0.198 0.000 1.006 240 T CB 1.208 70.151 68.868 0.125 0.000 1.328 240 T HN 0.842 nan 8.240 nan 0.000 0.509 241 V N -0.919 119.199 119.914 0.341 0.000 2.863 241 V HA 0.553 4.673 4.120 0.000 0.000 0.307 241 V C 0.297 176.535 176.094 0.240 0.000 1.061 241 V CA -1.062 61.416 62.300 0.296 0.000 1.024 241 V CB 0.536 32.436 31.823 0.128 0.000 1.049 241 V HN 1.015 nan 8.190 nan 0.000 0.471 242 Q N 2.088 122.011 119.800 0.205 0.000 2.454 242 Q HA 0.262 4.602 4.340 0.000 0.000 0.247 242 Q C -2.181 173.937 176.000 0.197 0.000 1.028 242 Q CA -1.408 54.505 55.803 0.184 0.000 0.910 242 Q CB 0.339 29.160 28.738 0.138 0.000 1.276 242 Q HN 0.651 nan 8.270 nan 0.000 0.489 243 P HA -0.125 nan 4.420 nan 0.000 0.257 243 P C -0.876 176.512 177.300 0.147 0.000 1.162 243 P CA 1.075 64.261 63.100 0.142 0.000 0.762 243 P CB 0.128 31.888 31.700 0.101 0.000 0.753 244 I N 4.436 125.104 120.570 0.163 0.000 2.390 244 I HA 0.175 4.345 4.170 0.000 0.000 0.283 244 I C -0.708 175.459 176.117 0.083 0.000 1.016 244 I CA -0.996 60.396 61.300 0.152 0.000 1.151 244 I CB 1.081 39.220 38.000 0.231 0.000 1.293 244 I HN -0.053 nan 8.210 nan 0.000 0.458 245 V N 8.243 128.195 119.914 0.063 0.000 2.364 245 V HA 0.271 4.391 4.120 0.000 0.000 0.272 245 V C -0.100 176.019 176.094 0.041 0.000 1.036 245 V CA -0.561 61.764 62.300 0.041 0.000 0.880 245 V CB 1.308 33.149 31.823 0.031 0.000 0.991 245 V HN 0.496 nan 8.190 nan 0.000 0.460 246 L N 9.347 130.593 121.223 0.038 0.000 2.255 246 L HA 0.559 4.899 4.340 0.000 0.000 0.289 246 L C -1.754 175.163 176.870 0.078 0.000 1.046 246 L CA -1.470 53.406 54.840 0.059 0.000 0.816 246 L CB 1.338 43.420 42.059 0.037 0.000 1.197 246 L HN 0.494 nan 8.230 nan 0.000 0.427 247 P HA 0.121 nan 4.420 nan 0.000 0.271 247 P C -0.919 176.433 177.300 0.087 0.000 1.226 247 P CA -0.326 62.807 63.100 0.056 0.000 0.765 247 P CB 1.045 32.750 31.700 0.009 0.000 0.835 248 E N 3.496 123.710 120.200 0.023 0.000 2.146 248 E HA 0.334 4.684 4.350 0.000 0.000 0.282 248 E C -0.495 176.014 176.600 -0.150 0.000 0.989 248 E CA -0.557 55.862 56.400 0.032 0.000 0.799 248 E CB 0.614 30.350 29.700 0.060 0.000 1.088 248 E HN 0.428 nan 8.360 nan 0.000 0.397 249 K N 3.246 123.437 120.400 -0.348 0.000 2.523 249 K HA 0.300 4.620 4.320 0.000 0.000 0.257 249 K C -0.148 176.160 176.600 -0.488 0.000 0.932 249 K CA -0.736 55.232 56.287 -0.533 0.000 0.812 249 K CB 1.486 33.516 32.500 -0.783 0.000 1.326 249 K HN 0.359 nan 8.250 nan 0.000 0.433 250 D N 1.219 121.461 120.400 -0.264 0.000 2.117 250 D HA -0.154 4.486 4.640 0.000 0.000 0.197 250 D C 0.339 176.597 176.300 -0.070 0.000 0.987 250 D CA 1.091 55.033 54.000 -0.097 0.000 0.829 250 D CB 0.040 40.800 40.800 -0.066 0.000 0.961 250 D HN 0.521 nan 8.370 nan 0.000 0.460 251 S N -0.967 114.612 115.700 -0.202 0.000 2.482 251 S HA 0.486 4.956 4.470 0.000 0.000 0.303 251 S C -1.387 173.077 174.600 -0.225 0.000 1.091 251 S CA -1.018 57.133 58.200 -0.083 0.000 1.057 251 S CB 1.192 64.361 63.200 -0.051 0.000 1.031 251 S HN 0.261 nan 8.310 nan 0.000 0.485 252 W N 1.500 122.794 121.300 -0.009 0.000 2.736 252 W HA 0.591 5.251 4.660 -0.000 0.000 0.335 252 W C 0.485 176.998 176.519 -0.009 0.000 1.059 252 W CA -0.525 56.815 57.345 -0.010 0.000 1.226 252 W CB 1.933 31.387 29.460 -0.010 0.000 1.416 252 W HN 0.884 nan 8.180 nan 0.000 0.505 253 T N -2.274 112.408 114.554 0.214 0.000 2.923 253 T HA 0.363 4.713 4.350 0.000 0.000 0.281 253 T C 0.667 175.449 174.700 0.136 0.000 0.995 253 T CA -0.746 61.430 62.100 0.126 0.000 0.985 253 T CB 1.196 70.102 68.868 0.064 0.000 1.114 253 T HN 0.209 nan 8.240 nan 0.000 0.548 254 V N 1.332 121.295 119.914 0.082 0.000 2.515 254 V HA -0.134 3.986 4.120 0.000 0.000 0.250 254 V C 2.875 179.006 176.094 0.062 0.000 1.058 254 V CA 1.719 64.055 62.300 0.061 0.000 1.064 254 V CB -1.107 30.737 31.823 0.036 0.000 0.675 254 V HN 0.914 nan 8.190 nan 0.000 0.461 255 N N 0.346 119.082 118.700 0.059 0.000 2.289 255 N HA -0.183 4.557 4.740 0.000 0.000 0.184 255 N C 1.468 177.024 175.510 0.077 0.000 1.016 255 N CA 1.477 54.557 53.050 0.050 0.000 0.872 255 N CB -0.059 38.448 38.487 0.034 0.000 0.973 255 N HN 0.509 nan 8.380 nan 0.000 0.433 256 D N 0.475 120.952 120.400 0.130 0.000 2.162 256 D HA -0.045 4.595 4.640 0.000 0.000 0.203 256 D C 1.941 178.371 176.300 0.217 0.000 0.967 256 D CA 0.309 54.441 54.000 0.220 0.000 0.840 256 D CB 0.134 41.150 40.800 0.360 0.000 0.972 256 D HN 0.256 nan 8.370 nan 0.000 0.482 257 I N 0.822 121.474 120.570 0.137 0.000 2.394 257 I HA -0.173 3.997 4.170 0.000 0.000 0.251 257 I C 2.633 178.761 176.117 0.018 0.000 1.136 257 I CA 0.375 61.687 61.300 0.021 0.000 1.425 257 I CB -1.276 36.704 38.000 -0.034 0.000 1.079 257 I HN 0.096 nan 8.210 nan 0.000 0.425 258 C N 1.283 120.604 119.300 0.036 0.000 2.453 258 C HA -0.147 4.313 4.460 0.000 0.000 0.277 258 C C 2.879 177.888 174.990 0.031 0.000 1.262 258 C CA 0.826 59.858 59.018 0.025 0.000 1.718 258 C CB -0.671 27.083 27.740 0.023 0.000 2.031 258 C HN 0.433 nan 8.230 nan 0.000 0.480 259 K N 0.143 120.572 120.400 0.049 0.000 2.152 259 K HA -0.178 4.142 4.320 0.000 0.000 0.206 259 K C 1.742 178.377 176.600 0.058 0.000 1.048 259 K CA 1.327 57.643 56.287 0.049 0.000 0.933 259 K CB -0.328 32.208 32.500 0.060 0.000 0.721 259 K HN 0.458 nan 8.250 nan 0.000 0.447 260 L N 0.368 121.632 121.223 0.069 0.000 2.072 260 L HA -0.098 4.242 4.340 0.000 0.000 0.205 260 L C 1.910 178.790 176.870 0.018 0.000 1.079 260 L CA 1.286 56.156 54.840 0.048 0.000 0.752 260 L CB -0.143 41.922 42.059 0.010 0.000 0.906 260 L HN -0.146 nan 8.230 nan 0.000 0.436 261 V N 0.516 120.433 119.914 0.005 0.000 2.343 261 V HA -0.168 3.952 4.120 0.000 0.000 0.247 261 V C 2.667 178.784 176.094 0.039 0.000 1.051 261 V CA 1.762 64.066 62.300 0.007 0.000 1.036 261 V CB -1.738 30.083 31.823 -0.003 0.000 0.654 261 V HN 0.627 nan 8.190 nan 0.000 0.451 262 G N -0.507 108.318 108.800 0.041 0.000 2.422 262 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 262 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 262 G C 1.663 176.620 174.900 0.094 0.000 1.146 262 G CA 1.069 46.202 45.100 0.056 0.000 0.769 262 G HN 0.431 nan 8.290 nan 0.000 0.547 263 K N -0.582 119.868 120.400 0.083 0.000 2.031 263 K HA 0.118 4.438 4.320 0.000 0.000 0.205 263 K C 2.381 179.087 176.600 0.177 0.000 1.049 263 K CA 0.373 56.735 56.287 0.126 0.000 0.939 263 K CB -0.411 32.139 32.500 0.084 0.000 0.717 263 K HN 0.142 nan 8.250 nan 0.000 0.438 264 L N 1.539 122.821 121.223 0.099 0.000 2.042 264 L HA -0.187 4.154 4.340 0.000 0.000 0.210 264 L C 1.662 178.593 176.870 0.102 0.000 1.076 264 L CA 1.686 56.566 54.840 0.068 0.000 0.749 264 L CB -1.063 41.007 42.059 0.019 0.000 0.893 264 L HN 0.251 nan 8.230 nan 0.000 0.432 265 N N -1.443 117.331 118.700 0.124 0.000 2.142 265 N HA -0.245 4.495 4.740 0.000 0.000 0.186 265 N C 1.668 177.305 175.510 0.211 0.000 1.023 265 N CA 1.147 54.279 53.050 0.137 0.000 0.852 265 N CB -0.453 38.109 38.487 0.125 0.000 0.998 265 N HN 0.541 nan 8.380 nan 0.000 0.424 266 W N 1.843 123.173 121.300 0.050 0.000 2.335 266 W HA -0.139 4.521 4.660 -0.000 0.000 0.311 266 W C 1.558 178.149 176.519 0.120 0.000 1.213 266 W CA 1.626 59.010 57.345 0.064 0.000 1.274 266 W CB -0.178 29.300 29.460 0.031 0.000 1.148 266 W HN 0.047 nan 8.180 nan 0.000 0.498 267 A N 0.317 123.230 122.820 0.155 0.000 2.209 267 A HA -0.069 4.251 4.320 0.000 0.000 0.212 267 A C 1.908 179.580 177.584 0.147 0.000 1.158 267 A CA 1.461 53.563 52.037 0.109 0.000 0.742 267 A CB -0.784 18.307 19.000 0.152 0.000 0.790 267 A HN 0.272 nan 8.150 nan 0.000 0.472 268 S N -0.266 115.482 115.700 0.081 0.000 2.447 268 S HA -0.166 4.304 4.470 0.000 0.000 0.233 268 S C 1.879 176.485 174.600 0.009 0.000 1.006 268 S CA 1.100 59.329 58.200 0.049 0.000 0.957 268 S CB -0.232 62.986 63.200 0.030 0.000 0.773 268 S HN 0.731 nan 8.310 nan 0.000 0.507 269 Q N -0.039 119.759 119.800 -0.002 0.000 2.173 269 Q HA -0.083 4.257 4.340 0.000 0.000 0.208 269 Q C 1.807 177.871 176.000 0.106 0.000 0.989 269 Q CA 1.478 57.301 55.803 0.034 0.000 0.872 269 Q CB -0.022 28.722 28.738 0.010 0.000 0.909 269 Q HN 0.528 nan 8.270 nan 0.000 0.420 270 I N -2.317 118.277 120.570 0.040 0.000 4.864 270 I HA 0.028 4.198 4.170 0.000 0.000 0.337 270 I C -0.683 175.326 176.117 -0.181 0.000 1.283 270 I CA -0.164 61.093 61.300 -0.072 0.000 1.350 270 I CB 0.991 38.900 38.000 -0.151 0.000 1.412 270 I HN -0.030 nan 8.210 nan 0.000 0.487 271 Y N 5.174 125.436 120.300 -0.063 0.000 2.585 271 Y HA 0.277 4.827 4.550 -0.000 0.000 0.354 271 Y C -2.044 173.814 175.900 -0.070 0.000 1.024 271 Y CA -2.398 55.662 58.100 -0.066 0.000 1.321 271 Y CB -0.094 38.340 38.460 -0.043 0.000 1.151 271 Y HN 0.053 nan 8.280 nan 0.000 0.525 272 P HA 0.173 nan 4.420 nan 0.000 0.275 272 P C 0.757 178.070 177.300 0.021 0.000 1.228 272 P CA 0.520 63.617 63.100 -0.005 0.000 0.786 272 P CB 1.592 33.263 31.700 -0.049 0.000 0.927 273 G N 1.398 110.201 108.800 0.006 0.000 2.194 273 G HA2 -0.220 3.740 3.960 0.000 0.000 0.236 273 G HA3 -0.220 3.740 3.960 0.000 0.000 0.236 273 G C 0.075 174.974 174.900 -0.001 0.000 0.987 273 G CA -0.380 44.723 45.100 0.005 0.000 0.635 273 G HN 0.469 nan 8.290 nan 0.000 0.520 274 I N 1.772 122.346 120.570 0.005 0.000 2.741 274 I HA 0.279 4.449 4.170 0.000 0.000 0.288 274 I C 0.706 176.816 176.117 -0.011 0.000 1.192 274 I CA 0.795 62.093 61.300 -0.004 0.000 1.426 274 I CB 0.679 38.684 38.000 0.009 0.000 1.367 274 I HN 0.124 nan 8.210 nan 0.000 0.563 275 K N 5.229 125.614 120.400 -0.025 0.000 2.397 275 K HA 0.513 4.833 4.320 0.000 0.000 0.253 275 K C 0.239 176.815 176.600 -0.040 0.000 0.932 275 K CA -0.506 55.760 56.287 -0.034 0.000 0.795 275 K CB 2.310 34.783 32.500 -0.046 0.000 1.159 275 K HN 0.434 nan 8.250 nan 0.000 0.424 276 V N -0.577 119.315 119.914 -0.037 0.000 3.497 276 V HA 0.139 4.259 4.120 0.000 0.000 0.272 276 V C 1.821 177.884 176.094 -0.051 0.000 1.474 276 V CA -0.090 62.184 62.300 -0.044 0.000 1.025 276 V CB 0.104 31.911 31.823 -0.027 0.000 0.820 276 V HN 0.750 nan 8.190 nan 0.000 0.437 277 R N 0.665 121.134 120.500 -0.051 0.000 2.140 277 R HA -0.231 4.109 4.340 0.000 0.000 0.250 277 R C 2.324 178.590 176.300 -0.056 0.000 1.150 277 R CA 2.676 58.744 56.100 -0.053 0.000 0.966 277 R CB -0.126 30.139 30.300 -0.058 0.000 0.869 277 R HN 0.601 nan 8.270 nan 0.000 0.445 278 Q N -0.092 119.670 119.800 -0.064 0.000 2.187 278 Q HA -0.078 4.262 4.340 0.000 0.000 0.199 278 Q C 2.248 178.200 176.000 -0.080 0.000 0.957 278 Q CA 0.911 56.673 55.803 -0.068 0.000 0.857 278 Q CB 0.019 28.715 28.738 -0.070 0.000 0.929 278 Q HN 0.425 nan 8.270 nan 0.000 0.453 279 L N -0.415 120.754 121.223 -0.091 0.000 2.156 279 L HA -0.122 4.218 4.340 0.000 0.000 0.208 279 L C 2.349 179.167 176.870 -0.088 0.000 1.095 279 L CA 0.561 55.332 54.840 -0.115 0.000 0.770 279 L CB -0.218 41.763 42.059 -0.130 0.000 0.914 279 L HN 0.195 nan 8.230 nan 0.000 0.439 280 C N -0.417 118.844 119.300 -0.064 0.000 2.448 280 C HA -0.079 4.381 4.460 0.000 0.000 0.280 280 C C 2.572 177.539 174.990 -0.040 0.000 1.398 280 C CA 0.270 59.261 59.018 -0.045 0.000 1.774 280 C CB -0.721 26.997 27.740 -0.037 0.000 1.888 280 C HN 0.395 nan 8.230 nan 0.000 0.519 281 K N 0.589 120.962 120.400 -0.045 0.000 2.362 281 K HA -0.031 4.289 4.320 0.000 0.000 0.200 281 K C 1.442 178.021 176.600 -0.034 0.000 1.046 281 K CA 0.739 57.003 56.287 -0.038 0.000 0.952 281 K CB -0.053 32.422 32.500 -0.041 0.000 0.753 281 K HN 0.359 nan 8.250 nan 0.000 0.466 282 L N 0.298 121.495 121.223 -0.043 0.000 2.478 282 L HA -0.049 4.291 4.340 0.000 0.000 0.223 282 L C 1.528 178.386 176.870 -0.020 0.000 1.140 282 L CA 1.145 55.964 54.840 -0.035 0.000 0.842 282 L CB -0.563 41.463 42.059 -0.054 0.000 0.953 282 L HN 0.125 nan 8.230 nan 0.000 0.452 283 L N -1.078 120.134 121.223 -0.018 0.000 2.567 283 L HA 0.097 4.437 4.340 0.000 0.000 0.225 283 L C 1.300 178.166 176.870 -0.006 0.000 1.119 283 L CA 0.389 55.224 54.840 -0.008 0.000 0.871 283 L CB -0.329 41.726 42.059 -0.008 0.000 1.036 283 L HN 0.033 nan 8.230 nan 0.000 0.459 284 R N 0.137 120.631 120.500 -0.010 0.000 2.491 284 R HA 0.429 4.769 4.340 0.000 0.000 0.283 284 R C 0.848 177.145 176.300 -0.004 0.000 1.072 284 R CA 0.596 56.692 56.100 -0.007 0.000 1.048 284 R CB 0.242 30.536 30.300 -0.011 0.000 0.983 284 R HN 0.229 nan 8.270 nan 0.000 0.450 285 G N 2.058 110.857 108.800 -0.001 0.000 2.207 285 G HA2 -0.329 3.631 3.960 0.000 0.000 0.216 285 G HA3 -0.329 3.631 3.960 0.000 0.000 0.216 285 G C 0.645 175.547 174.900 0.003 0.000 1.053 285 G CA 0.592 45.692 45.100 0.001 0.000 0.764 285 G HN 0.998 nan 8.290 nan 0.000 0.495 286 T N -2.297 112.259 114.554 0.003 0.000 13.374 286 T HA -0.404 3.946 4.350 0.000 0.000 0.418 286 T C 1.004 175.707 174.700 0.006 0.000 1.442 286 T CA 2.617 64.720 62.100 0.005 0.000 2.353 286 T CB -1.349 67.522 68.868 0.005 0.000 2.797 286 T HN 2.040 nan 8.240 nan 0.000 0.579 287 K N 1.047 121.451 120.400 0.006 0.000 0.966 287 K HA 0.118 4.438 4.320 0.000 0.000 0.755 287 K C 0.252 176.857 176.600 0.008 0.000 2.509 287 K CA 0.928 57.219 56.287 0.007 0.000 1.659 287 K CB -1.614 30.891 32.500 0.009 0.000 2.774 287 K HN 1.812 nan 8.250 nan 0.000 0.188 288 A N 0.750 123.575 122.820 0.009 0.000 2.351 288 A HA 0.431 4.751 4.320 0.000 0.000 0.257 288 A C 1.595 179.187 177.584 0.012 0.000 1.087 288 A CA -0.083 51.959 52.037 0.008 0.000 0.798 288 A CB 0.126 19.130 19.000 0.006 0.000 1.033 288 A HN 0.461 nan 8.150 nan 0.000 0.488 289 L N 1.242 122.471 121.223 0.010 0.000 2.291 289 L HA -0.054 4.286 4.340 0.000 0.000 0.214 289 L C 2.558 179.438 176.870 0.016 0.000 1.120 289 L CA 1.993 56.841 54.840 0.014 0.000 0.799 289 L CB -0.714 41.351 42.059 0.010 0.000 0.925 289 L HN 0.914 nan 8.230 nan 0.000 0.446 290 T N -3.968 110.592 114.554 0.010 0.000 3.035 290 T HA -0.038 4.312 4.350 0.000 0.000 0.259 290 T C 0.896 175.603 174.700 0.012 0.000 1.078 290 T CA -0.154 61.950 62.100 0.008 0.000 1.132 290 T CB -0.180 68.688 68.868 0.000 0.000 0.900 290 T HN 0.282 nan 8.240 nan 0.000 0.480 291 E N 1.841 122.050 120.200 0.015 0.000 2.376 291 E HA 0.227 4.577 4.350 0.000 0.000 0.266 291 E C -0.742 175.876 176.600 0.031 0.000 1.009 291 E CA -0.318 56.093 56.400 0.019 0.000 0.902 291 E CB 0.893 30.602 29.700 0.016 0.000 0.972 291 E HN 0.140 nan 8.360 nan 0.000 0.439 292 V N 6.433 126.366 119.914 0.032 0.000 2.555 292 V HA 0.186 4.306 4.120 0.000 0.000 0.286 292 V C 0.485 176.610 176.094 0.052 0.000 1.044 292 V CA 0.032 62.361 62.300 0.049 0.000 1.026 292 V CB 0.758 32.605 31.823 0.040 0.000 0.981 292 V HN 0.580 nan 8.190 nan 0.000 0.480 293 I N 7.201 127.816 120.570 0.074 0.000 2.465 293 I HA 0.587 4.757 4.170 0.000 0.000 0.291 293 I C -2.279 173.881 176.117 0.072 0.000 1.014 293 I CA -2.241 59.093 61.300 0.058 0.000 1.093 293 I CB 2.720 40.744 38.000 0.040 0.000 1.267 293 I HN 0.500 nan 8.210 nan 0.000 0.431 294 P HA 0.156 nan 4.420 nan 0.000 0.280 294 P C -0.928 176.380 177.300 0.013 0.000 1.244 294 P CA -0.451 62.678 63.100 0.047 0.000 0.784 294 P CB 1.198 32.917 31.700 0.031 0.000 0.913 295 L N 4.152 125.377 121.223 0.004 0.000 2.407 295 L HA 0.117 4.457 4.340 0.000 0.000 0.282 295 L C 1.395 178.233 176.870 -0.053 0.000 1.110 295 L CA 0.622 55.417 54.840 -0.075 0.000 0.863 295 L CB -0.478 41.498 42.059 -0.138 0.000 1.207 295 L HN 0.493 nan 8.230 nan 0.000 0.454 296 T N -0.596 113.924 114.554 -0.057 0.000 2.802 296 T HA 0.064 4.414 4.350 0.000 0.000 0.305 296 T C 1.167 175.838 174.700 -0.048 0.000 1.053 296 T CA -0.430 61.645 62.100 -0.043 0.000 1.058 296 T CB 0.621 69.465 68.868 -0.040 0.000 0.988 296 T HN 0.655 nan 8.240 nan 0.000 0.539 297 E N 0.872 121.051 120.200 -0.035 0.000 2.070 297 E HA -0.215 4.135 4.350 0.000 0.000 0.197 297 E C 2.032 178.606 176.600 -0.042 0.000 1.004 297 E CA 1.927 58.307 56.400 -0.034 0.000 0.805 297 E CB -0.096 29.589 29.700 -0.024 0.000 0.744 297 E HN 0.802 nan 8.360 nan 0.000 0.451 298 E N 0.037 120.210 120.200 -0.045 0.000 2.274 298 E HA -0.080 4.270 4.350 0.000 0.000 0.194 298 E C 1.551 178.112 176.600 -0.064 0.000 0.996 298 E CA 0.891 57.261 56.400 -0.050 0.000 0.840 298 E CB 0.027 29.699 29.700 -0.047 0.000 0.772 298 E HN 0.256 nan 8.360 nan 0.000 0.491 299 A N 0.776 123.550 122.820 -0.077 0.000 2.081 299 A HA -0.042 4.278 4.320 0.000 0.000 0.214 299 A C 1.822 179.333 177.584 -0.122 0.000 1.158 299 A CA 0.501 52.474 52.037 -0.106 0.000 0.724 299 A CB 0.029 18.955 19.000 -0.124 0.000 0.826 299 A HN 0.018 nan 8.150 nan 0.000 0.463 300 E N -0.223 119.920 120.200 -0.096 0.000 2.152 300 E HA -0.097 4.253 4.350 0.000 0.000 0.192 300 E C 1.798 178.359 176.600 -0.065 0.000 0.983 300 E CA 0.448 56.798 56.400 -0.084 0.000 0.818 300 E CB -0.191 29.479 29.700 -0.050 0.000 0.758 300 E HN 0.448 nan 8.360 nan 0.000 0.467 301 L N 1.573 122.762 121.223 -0.058 0.000 2.027 301 L HA -0.132 4.208 4.340 0.000 0.000 0.206 301 L C 2.224 179.061 176.870 -0.054 0.000 1.074 301 L CA 1.779 56.591 54.840 -0.047 0.000 0.745 301 L CB -0.816 41.217 42.059 -0.043 0.000 0.898 301 L HN 0.126 nan 8.230 nan 0.000 0.433 302 E N -0.644 119.516 120.200 -0.067 0.000 2.077 302 E HA -0.229 4.121 4.350 0.000 0.000 0.193 302 E C 2.234 178.786 176.600 -0.080 0.000 0.989 302 E CA 0.879 57.236 56.400 -0.072 0.000 0.800 302 E CB -0.061 29.591 29.700 -0.080 0.000 0.746 302 E HN 0.371 nan 8.360 nan 0.000 0.452 303 L N 0.410 121.572 121.223 -0.101 0.000 2.141 303 L HA -0.060 4.280 4.340 0.000 0.000 0.209 303 L C 2.149 178.979 176.870 -0.067 0.000 1.094 303 L CA 1.918 56.692 54.840 -0.110 0.000 0.763 303 L CB -0.911 41.045 42.059 -0.173 0.000 0.908 303 L HN 0.183 nan 8.230 nan 0.000 0.437 304 A N -0.314 122.474 122.820 -0.053 0.000 1.897 304 A HA -0.184 4.136 4.320 0.000 0.000 0.215 304 A C 2.106 179.670 177.584 -0.033 0.000 1.181 304 A CA 1.222 53.240 52.037 -0.032 0.000 0.620 304 A CB -0.412 18.574 19.000 -0.024 0.000 0.821 304 A HN 0.534 nan 8.150 nan 0.000 0.443 305 E N -0.216 119.961 120.200 -0.039 0.000 2.150 305 E HA -0.150 4.200 4.350 0.000 0.000 0.193 305 E C 1.496 178.072 176.600 -0.041 0.000 0.985 305 E CA 1.002 57.381 56.400 -0.036 0.000 0.814 305 E CB -0.046 29.631 29.700 -0.038 0.000 0.752 305 E HN 0.507 nan 8.360 nan 0.000 0.466 306 N N 0.195 118.863 118.700 -0.054 0.000 2.300 306 N HA -0.060 4.680 4.740 0.000 0.000 0.179 306 N C 1.581 177.041 175.510 -0.083 0.000 1.016 306 N CA 0.566 53.576 53.050 -0.068 0.000 0.876 306 N CB -0.012 38.432 38.487 -0.072 0.000 0.979 306 N HN -0.026 nan 8.380 nan 0.000 0.432 307 R N 1.013 121.476 120.500 -0.062 0.000 2.115 307 R HA 0.057 4.397 4.340 0.000 0.000 0.230 307 R C 1.629 177.896 176.300 -0.054 0.000 1.111 307 R CA 0.912 56.980 56.100 -0.054 0.000 0.976 307 R CB 0.091 30.377 30.300 -0.024 0.000 0.870 307 R HN 0.185 nan 8.270 nan 0.000 0.445 308 E N 0.056 120.231 120.200 -0.041 0.000 2.152 308 E HA -0.122 4.228 4.350 0.000 0.000 0.192 308 E C 1.797 178.383 176.600 -0.024 0.000 0.983 308 E CA 0.804 57.189 56.400 -0.026 0.000 0.818 308 E CB 0.084 29.774 29.700 -0.016 0.000 0.758 308 E HN 0.322 nan 8.360 nan 0.000 0.467 309 I N 0.714 121.258 120.570 -0.042 0.000 2.353 309 I HA -0.182 3.988 4.170 0.000 0.000 0.248 309 I C 2.450 178.525 176.117 -0.069 0.000 1.119 309 I CA 0.784 62.074 61.300 -0.016 0.000 1.417 309 I CB -0.975 37.017 38.000 -0.013 0.000 1.078 309 I HN 0.082 nan 8.210 nan 0.000 0.421 310 L N 0.405 121.482 121.223 -0.244 0.000 2.275 310 L HA -0.093 4.247 4.340 0.000 0.000 0.215 310 L C 1.896 178.682 176.870 -0.140 0.000 1.119 310 L CA 0.919 55.499 54.840 -0.434 0.000 0.790 310 L CB -0.329 41.485 42.059 -0.409 0.000 0.919 310 L HN 0.129 nan 8.230 nan 0.000 0.443 311 K N 0.850 121.228 120.400 -0.038 0.000 3.041 311 K HA 0.142 4.462 4.320 0.000 0.000 0.243 311 K C -0.494 176.140 176.600 0.057 0.000 1.167 311 K CA 0.097 56.393 56.287 0.016 0.000 1.235 311 K CB 0.100 32.603 32.500 0.005 0.000 1.205 311 K HN 0.159 nan 8.250 nan 0.000 0.448 312 E N 1.308 121.582 120.200 0.124 0.000 2.278 312 E HA 0.247 4.597 4.350 0.000 0.000 0.272 312 E C -2.666 174.026 176.600 0.153 0.000 0.890 312 E CA -2.198 54.272 56.400 0.117 0.000 0.770 312 E CB 2.042 31.802 29.700 0.101 0.000 1.212 312 E HN 0.094 nan 8.360 nan 0.000 0.415 313 P HA 0.100 nan 4.420 nan 0.000 0.276 313 P C -0.787 176.417 177.300 -0.159 0.000 1.243 313 P CA -0.284 62.793 63.100 -0.039 0.000 0.768 313 P CB 0.740 32.399 31.700 -0.069 0.000 0.856 314 V N 1.444 121.191 119.914 -0.278 0.000 2.789 314 V HA 0.635 4.755 4.120 0.000 0.000 0.311 314 V C -0.184 175.688 176.094 -0.370 0.000 1.073 314 V CA -0.910 61.176 62.300 -0.356 0.000 0.921 314 V CB 1.505 33.080 31.823 -0.413 0.000 1.009 314 V HN 0.801 nan 8.190 nan 0.000 0.426 315 H N 1.241 120.060 119.070 -0.418 0.000 2.771 315 H HA 0.938 5.494 4.556 0.000 0.000 0.367 315 H C -0.274 174.619 175.328 -0.725 0.000 1.172 315 H CA -0.991 54.725 56.048 -0.553 0.000 1.186 315 H CB 2.699 32.234 29.762 -0.378 0.000 1.790 315 H HN 1.012 nan 8.280 nan 0.000 0.556 316 G N 0.885 109.043 108.800 -1.070 0.000 2.590 316 G HA2 0.416 4.376 3.960 0.000 0.000 0.310 316 G HA3 0.416 4.376 3.960 0.000 0.000 0.310 316 G C -1.019 173.334 174.900 -0.911 0.000 1.347 316 G CA -0.573 43.903 45.100 -1.040 0.000 0.963 316 G HN 0.528 nan 8.290 nan 0.000 0.494 317 V N 1.809 121.458 119.914 -0.442 0.000 3.214 317 V HA 0.500 4.620 4.120 0.000 0.000 0.306 317 V C -0.185 175.900 176.094 -0.016 0.000 1.078 317 V CA -0.542 61.575 62.300 -0.306 0.000 1.077 317 V CB 0.873 32.584 31.823 -0.188 0.000 1.121 317 V HN 0.583 nan 8.190 nan 0.000 0.468 318 Y N 1.914 122.350 120.300 0.227 0.000 2.340 318 Y HA 0.326 4.876 4.550 0.000 0.000 0.327 318 Y C -0.061 176.001 175.900 0.271 0.000 1.321 318 Y CA -0.159 58.111 58.100 0.283 0.000 1.433 318 Y CB 0.177 38.752 38.460 0.192 0.000 1.373 318 Y HN 0.599 nan 8.280 nan 0.000 0.538 319 Y N 1.364 121.868 120.300 0.340 0.000 2.299 319 Y HA 0.234 4.784 4.550 -0.000 0.000 0.326 319 Y C -0.431 175.541 175.900 0.119 0.000 1.164 319 Y CA -1.075 57.142 58.100 0.195 0.000 1.234 319 Y CB 0.691 39.331 38.460 0.300 0.000 1.219 319 Y HN 0.512 nan 8.280 nan 0.000 0.497 320 D N 8.059 128.183 120.400 -0.461 0.000 2.440 320 D HA 0.246 4.886 4.640 0.000 0.000 0.252 320 D C -2.200 173.583 176.300 -0.863 0.000 1.180 320 D CA -1.938 51.779 54.000 -0.471 0.000 0.894 320 D CB 1.986 42.663 40.800 -0.206 0.000 1.111 320 D HN 0.363 nan 8.370 nan 0.000 0.544 321 P HA -0.097 nan 4.420 nan 0.000 0.230 321 P C 1.162 178.302 177.300 -0.267 0.000 1.158 321 P CA 0.514 63.230 63.100 -0.639 0.000 0.769 321 P CB 0.261 31.777 31.700 -0.307 0.000 0.807 322 S N -1.598 113.972 115.700 -0.216 0.000 2.489 322 S HA 0.035 4.505 4.470 0.000 0.000 0.228 322 S C 0.933 175.466 174.600 -0.111 0.000 0.995 322 S CA 0.196 58.322 58.200 -0.123 0.000 0.934 322 S CB -0.497 62.647 63.200 -0.094 0.000 0.771 322 S HN 0.117 nan 8.310 nan 0.000 0.522 323 K N 2.068 122.379 120.400 -0.149 0.000 2.156 323 K HA 0.367 4.687 4.320 0.000 0.000 0.250 323 K C -0.937 175.594 176.600 -0.116 0.000 0.955 323 K CA -0.807 55.410 56.287 -0.116 0.000 0.855 323 K CB 0.888 33.321 32.500 -0.111 0.000 1.101 323 K HN 0.340 nan 8.250 nan 0.000 0.434 324 D N 1.022 121.365 120.400 -0.095 0.000 2.387 324 D HA 0.181 4.821 4.640 0.000 0.000 0.251 324 D C -0.602 175.609 176.300 -0.148 0.000 1.141 324 D CA -0.650 53.293 54.000 -0.095 0.000 0.987 324 D CB 0.587 41.331 40.800 -0.092 0.000 1.116 324 D HN 0.068 nan 8.370 nan 0.000 0.491 325 L N 0.310 121.417 121.223 -0.192 0.000 2.264 325 L HA 0.357 4.697 4.340 0.000 0.000 0.289 325 L C -0.818 175.793 176.870 -0.432 0.000 1.044 325 L CA -0.520 54.117 54.840 -0.339 0.000 0.807 325 L CB 0.660 42.488 42.059 -0.385 0.000 1.192 325 L HN 0.309 nan 8.230 nan 0.000 0.425 326 I N 4.142 124.371 120.570 -0.569 0.000 2.474 326 I HA 0.673 4.843 4.170 0.000 0.000 0.294 326 I C -0.084 175.610 176.117 -0.706 0.000 1.005 326 I CA -0.655 60.222 61.300 -0.705 0.000 1.113 326 I CB 1.588 38.979 38.000 -1.014 0.000 1.289 326 I HN 0.660 nan 8.210 nan 0.000 0.436 327 A N 5.058 127.558 122.820 -0.534 0.000 2.371 327 A HA 0.714 5.034 4.320 0.000 0.000 0.311 327 A C -0.725 176.877 177.584 0.030 0.000 1.068 327 A CA -0.543 51.346 52.037 -0.247 0.000 0.744 327 A CB 1.974 20.729 19.000 -0.409 0.000 1.239 327 A HN 0.794 nan 8.150 nan 0.000 0.435 328 E N 1.994 122.344 120.200 0.250 0.000 2.272 328 E HA 0.681 5.031 4.350 0.000 0.000 0.269 328 E C -1.584 175.195 176.600 0.299 0.000 0.877 328 E CA -0.504 56.074 56.400 0.296 0.000 0.755 328 E CB 1.456 31.376 29.700 0.367 0.000 1.192 328 E HN 0.616 nan 8.360 nan 0.000 0.422 329 I N 2.991 123.712 120.570 0.252 0.000 2.530 329 I HA 0.337 4.507 4.170 0.000 0.000 0.297 329 I C -0.623 175.648 176.117 0.256 0.000 1.011 329 I CA -0.825 60.636 61.300 0.268 0.000 1.107 329 I CB 1.969 40.076 38.000 0.178 0.000 1.285 329 I HN 0.489 nan 8.210 nan 0.000 0.436 330 Q N 3.970 123.943 119.800 0.288 0.000 2.413 330 Q HA 0.466 4.806 4.340 0.000 0.000 0.276 330 Q C -0.936 175.196 176.000 0.220 0.000 1.099 330 Q CA -0.870 55.060 55.803 0.210 0.000 0.814 330 Q CB 2.466 31.276 28.738 0.120 0.000 1.379 330 Q HN 0.330 nan 8.270 nan 0.000 0.436 331 K N 1.562 121.986 120.400 0.039 0.000 2.183 331 K HA 0.236 4.556 4.320 0.000 0.000 0.274 331 K C -0.103 176.353 176.600 -0.241 0.000 1.009 331 K CA -0.231 55.860 56.287 -0.327 0.000 0.888 331 K CB 0.774 33.022 32.500 -0.421 0.000 1.078 331 K HN 0.571 nan 8.250 nan 0.000 0.459 332 Q N 1.751 121.361 119.800 -0.317 0.000 1.957 332 Q HA 0.184 4.524 4.340 0.000 0.000 0.251 332 Q C 0.982 176.862 176.000 -0.199 0.000 0.973 332 Q CA 0.584 56.274 55.803 -0.187 0.000 0.862 332 Q CB -0.248 28.406 28.738 -0.140 0.000 0.962 332 Q HN 0.811 nan 8.270 nan 0.000 0.473 333 G N -0.012 108.657 108.800 -0.219 0.000 3.122 333 G HA2 0.306 4.266 3.960 0.000 0.000 0.180 333 G HA3 0.306 4.266 3.960 0.000 0.000 0.180 333 G C -0.712 174.050 174.900 -0.230 0.000 1.279 333 G CA -0.446 44.548 45.100 -0.176 0.000 0.987 333 G HN 0.085 nan 8.290 nan 0.000 0.589 334 Q N 0.075 119.779 119.800 -0.160 0.000 2.288 334 Q HA 0.397 4.737 4.340 0.000 0.000 0.258 334 Q C 0.969 176.888 176.000 -0.134 0.000 0.957 334 Q CA 0.744 56.463 55.803 -0.140 0.000 0.919 334 Q CB 1.220 29.909 28.738 -0.082 0.000 1.185 334 Q HN 1.157 nan 8.270 nan 0.000 0.408 335 G N 3.009 111.735 108.800 -0.123 0.000 2.189 335 G HA2 -0.312 3.648 3.960 0.000 0.000 0.267 335 G HA3 -0.312 3.648 3.960 0.000 0.000 0.267 335 G C 0.066 174.930 174.900 -0.059 0.000 0.975 335 G CA 0.255 45.350 45.100 -0.008 0.000 0.644 335 G HN 0.574 nan 8.290 nan 0.000 0.537 336 Q N -1.112 118.505 119.800 -0.305 0.000 2.316 336 Q HA 0.614 4.954 4.340 0.000 0.000 0.264 336 Q C -0.950 174.759 176.000 -0.484 0.000 0.987 336 Q CA -0.757 54.900 55.803 -0.244 0.000 0.852 336 Q CB 1.268 29.906 28.738 -0.166 0.000 1.287 336 Q HN 0.378 nan 8.270 nan 0.000 0.448 337 W N 0.732 122.089 121.300 0.096 0.000 2.936 337 W HA 0.507 5.167 4.660 0.000 0.000 0.338 337 W C -0.615 176.001 176.519 0.161 0.000 1.121 337 W CA -0.588 56.843 57.345 0.145 0.000 1.209 337 W CB 1.849 31.439 29.460 0.217 0.000 1.420 337 W HN 0.421 nan 8.180 nan 0.000 0.516 338 T N -0.164 114.598 114.554 0.346 0.000 2.876 338 T HA 0.752 5.102 4.350 0.000 0.000 0.289 338 T C -1.174 173.702 174.700 0.292 0.000 1.014 338 T CA -0.798 61.429 62.100 0.213 0.000 0.986 338 T CB 1.485 70.399 68.868 0.077 0.000 1.021 338 T HN 0.423 nan 8.240 nan 0.000 0.458 339 Y N -0.199 120.201 120.300 0.167 0.000 2.634 339 Y HA 0.822 5.372 4.550 -0.000 0.000 0.340 339 Y C -0.888 175.092 175.900 0.133 0.000 1.058 339 Y CA -1.356 56.838 58.100 0.156 0.000 1.081 339 Y CB 1.708 40.264 38.460 0.160 0.000 1.295 339 Y HN 0.764 nan 8.280 nan 0.000 0.487 340 Q N 1.931 121.937 119.800 0.343 0.000 2.295 340 Q HA 0.468 4.808 4.340 0.000 0.000 0.268 340 Q C -2.009 174.200 176.000 0.348 0.000 1.010 340 Q CA -0.658 55.293 55.803 0.246 0.000 0.856 340 Q CB 2.479 31.277 28.738 0.100 0.000 1.349 340 Q HN 0.923 nan 8.270 nan 0.000 0.412 341 I N 4.113 124.856 120.570 0.289 0.000 2.312 341 I HA 0.451 4.621 4.170 0.000 0.000 0.290 341 I C -0.638 175.550 176.117 0.118 0.000 1.008 341 I CA -0.719 60.657 61.300 0.126 0.000 1.226 341 I CB 0.371 38.425 38.000 0.090 0.000 1.371 341 I HN 0.637 nan 8.210 nan 0.000 0.468 342 Y N 3.146 123.376 120.300 -0.116 0.000 2.669 342 Y HA 0.610 5.160 4.550 0.000 0.000 0.335 342 Y C 0.032 175.848 175.900 -0.140 0.000 1.116 342 Y CA -1.013 57.019 58.100 -0.113 0.000 1.081 342 Y CB 1.145 39.553 38.460 -0.085 0.000 1.297 342 Y HN 0.425 nan 8.280 nan 0.000 0.484 343 Q N -0.364 119.447 119.800 0.019 0.000 2.313 343 Q HA 0.311 4.651 4.340 0.000 0.000 0.263 343 Q C -0.885 175.158 176.000 0.071 0.000 0.820 343 Q CA 0.154 55.915 55.803 -0.070 0.000 0.974 343 Q CB 1.486 30.189 28.738 -0.060 0.000 1.156 343 Q HN 0.771 nan 8.270 nan 0.000 0.517 344 E N -0.178 120.145 120.200 0.205 0.000 2.275 344 E HA 0.181 4.531 4.350 0.000 0.000 0.270 344 E C -2.236 174.465 176.600 0.167 0.000 0.882 344 E CA -2.079 54.423 56.400 0.171 0.000 0.758 344 E CB 2.131 31.872 29.700 0.069 0.000 1.195 344 E HN -0.224 nan 8.360 nan 0.000 0.419 345 P HA -0.286 nan 4.420 nan 0.000 0.223 345 P C 0.593 177.820 177.300 -0.121 0.000 0.913 345 P CA 1.711 64.777 63.100 -0.056 0.000 1.058 345 P CB 0.001 31.712 31.700 0.019 0.000 0.714 346 F N -1.174 118.688 119.950 -0.146 0.000 2.749 346 F HA 0.185 4.712 4.527 0.000 0.000 0.300 346 F C 0.703 176.433 175.800 -0.117 0.000 1.103 346 F CA 0.102 58.019 58.000 -0.138 0.000 1.342 346 F CB 0.117 39.066 39.000 -0.085 0.000 1.098 346 F HN -0.279 nan 8.300 nan 0.000 0.586 347 K N 2.066 122.433 120.400 -0.055 0.000 2.206 347 K HA 0.123 4.444 4.320 0.000 0.000 0.268 347 K C -0.450 176.092 176.600 -0.096 0.000 1.111 347 K CA -0.422 55.799 56.287 -0.111 0.000 0.955 347 K CB 0.020 32.485 32.500 -0.059 0.000 1.406 347 K HN 0.011 nan 8.250 nan 0.000 0.427 348 N N 2.027 120.616 118.700 -0.185 0.000 2.483 348 N HA 0.197 4.937 4.740 0.000 0.000 0.269 348 N C 0.781 176.271 175.510 -0.032 0.000 1.209 348 N CA -0.062 52.934 53.050 -0.089 0.000 0.969 348 N CB 1.099 39.479 38.487 -0.179 0.000 1.173 348 N HN 0.350 nan 8.380 nan 0.000 0.475 349 L N 0.213 121.505 121.223 0.116 0.000 2.435 349 L HA 0.306 4.646 4.340 0.000 0.000 0.195 349 L C 0.756 177.926 176.870 0.500 0.000 1.072 349 L CA 0.527 55.546 54.840 0.299 0.000 0.833 349 L CB 0.175 42.407 42.059 0.289 0.000 1.081 349 L HN 0.418 nan 8.230 nan 0.000 0.485 350 K N -0.401 120.234 120.400 0.393 0.000 2.551 350 K HA 0.400 4.720 4.320 0.000 0.000 0.269 350 K C -1.250 175.470 176.600 0.199 0.000 0.949 350 K CA -0.415 56.108 56.287 0.393 0.000 0.849 350 K CB 2.210 34.956 32.500 0.410 0.000 1.411 350 K HN 0.048 nan 8.250 nan 0.000 0.432 351 T N -1.049 113.550 114.554 0.075 0.000 2.926 351 T HA 0.902 5.252 4.350 0.000 0.000 0.289 351 T C 0.098 174.595 174.700 -0.337 0.000 1.054 351 T CA -0.612 61.428 62.100 -0.099 0.000 1.015 351 T CB 1.949 70.754 68.868 -0.104 0.000 1.167 351 T HN 0.688 nan 8.240 nan 0.000 0.526 352 G N -0.241 108.084 108.800 -0.792 0.000 2.606 352 G HA2 0.622 4.582 3.960 0.000 0.000 0.300 352 G HA3 0.622 4.582 3.960 0.000 0.000 0.300 352 G C -2.004 172.469 174.900 -0.712 0.000 1.360 352 G CA -0.947 43.502 45.100 -1.086 0.000 0.783 352 G HN 0.803 nan 8.290 nan 0.000 0.484 353 K N -0.664 119.590 120.400 -0.242 0.000 2.535 353 K HA 0.495 4.815 4.320 0.000 0.000 0.251 353 K C -2.385 174.441 176.600 0.377 0.000 0.942 353 K CA -0.792 55.560 56.287 0.108 0.000 0.798 353 K CB 2.595 35.126 32.500 0.051 0.000 1.267 353 K HN 0.542 nan 8.250 nan 0.000 0.434 354 Y N 2.542 123.026 120.300 0.306 0.000 2.332 354 Y HA 0.545 5.095 4.550 -0.000 0.000 0.326 354 Y C -0.615 175.457 175.900 0.286 0.000 0.978 354 Y CA -0.221 58.049 58.100 0.283 0.000 1.205 354 Y CB 1.828 40.441 38.460 0.254 0.000 1.131 354 Y HN 0.676 nan 8.280 nan 0.000 0.462 355 A N 5.830 128.477 122.820 -0.288 0.000 2.585 355 A HA 0.280 4.600 4.320 0.000 0.000 0.266 355 A C 0.543 177.931 177.584 -0.327 0.000 1.178 355 A CA -0.490 51.411 52.037 -0.227 0.000 0.966 355 A CB 0.108 19.060 19.000 -0.080 0.000 1.170 355 A HN 0.626 nan 8.150 nan 0.000 0.558 356 R N 0.806 120.938 120.500 -0.614 0.000 2.522 356 R HA 0.149 4.489 4.340 0.000 0.000 0.284 356 R C -0.608 175.573 176.300 -0.198 0.000 1.032 356 R CA 0.224 56.113 56.100 -0.352 0.000 1.049 356 R CB 0.221 30.335 30.300 -0.310 0.000 0.956 356 R HN 0.235 nan 8.270 nan 0.000 0.422 357 M N 5.696 125.250 119.600 -0.076 0.000 2.385 357 M HA 0.159 4.639 4.480 0.000 0.000 0.346 357 M C -0.502 175.805 176.300 0.012 0.000 1.180 357 M CA -0.321 54.970 55.300 -0.015 0.000 1.154 357 M CB 0.471 33.062 32.600 -0.014 0.000 1.251 357 M HN 0.445 nan 8.290 nan 0.000 0.430 358 R N 2.111 122.638 120.500 0.046 0.000 2.196 358 R HA 0.537 4.877 4.340 0.000 0.000 0.340 358 R C -0.036 176.303 176.300 0.066 0.000 1.043 358 R CA 0.500 56.638 56.100 0.064 0.000 0.883 358 R CB 0.364 30.725 30.300 0.102 0.000 1.078 358 R HN 0.902 nan 8.270 nan 0.000 0.462 359 G N 1.713 110.538 108.800 0.042 0.000 2.570 359 G HA2 -0.106 3.854 3.960 0.000 0.000 0.686 359 G HA3 -0.106 3.854 3.960 0.000 0.000 0.686 359 G C -0.073 174.807 174.900 -0.034 0.000 1.257 359 G CA -0.324 44.794 45.100 0.030 0.000 0.846 359 G HN 0.619 nan 8.290 nan 0.000 0.627 360 A N -0.213 122.526 122.820 -0.136 0.000 1.956 360 A HA 0.413 4.733 4.320 0.000 0.000 0.212 360 A C 0.884 178.227 177.584 -0.402 0.000 1.188 360 A CA 1.531 53.364 52.037 -0.341 0.000 0.675 360 A CB 0.003 18.662 19.000 -0.567 0.000 0.845 360 A HN 1.030 nan 8.150 nan 0.000 0.455 361 H N 0.911 120.029 119.070 0.079 0.000 2.866 361 H HA 0.398 4.954 4.556 0.000 0.000 0.287 361 H C -0.624 174.758 175.328 0.090 0.000 1.106 361 H CA 0.119 56.213 56.048 0.076 0.000 1.396 361 H CB 0.246 30.050 29.762 0.070 0.000 1.469 361 H HN 0.348 nan 8.280 nan 0.000 0.500 362 T N 0.926 115.575 114.554 0.160 0.000 2.804 362 T HA 0.515 4.865 4.350 0.000 0.000 0.272 362 T C 0.406 175.157 174.700 0.086 0.000 0.986 362 T CA -1.045 61.128 62.100 0.121 0.000 0.999 362 T CB 1.712 70.643 68.868 0.105 0.000 1.307 362 T HN 0.608 nan 8.240 nan 0.000 0.586 363 N N -1.598 117.118 118.700 0.027 0.000 2.774 363 N HA 0.402 5.142 4.740 0.000 0.000 0.264 363 N C -0.263 175.255 175.510 0.013 0.000 1.415 363 N CA -0.826 52.217 53.050 -0.013 0.000 0.815 363 N CB 0.539 38.935 38.487 -0.151 0.000 1.514 363 N HN 0.322 nan 8.380 nan 0.000 0.523 364 D N -0.264 120.176 120.400 0.067 0.000 2.104 364 D HA -0.106 4.534 4.640 0.000 0.000 0.194 364 D C 1.711 178.006 176.300 -0.009 0.000 0.994 364 D CA 1.152 55.290 54.000 0.229 0.000 0.830 364 D CB -0.190 40.762 40.800 0.253 0.000 0.959 364 D HN 0.338 nan 8.370 nan 0.000 0.452 365 V N 1.133 120.878 119.914 -0.281 0.000 2.233 365 V HA -0.262 3.858 4.120 0.000 0.000 0.247 365 V C 2.417 178.256 176.094 -0.426 0.000 1.050 365 V CA 1.676 63.686 62.300 -0.484 0.000 1.010 365 V CB -0.401 30.841 31.823 -0.968 0.000 0.637 365 V HN 0.174 nan 8.190 nan 0.000 0.444 366 K N -0.458 119.692 120.400 -0.416 0.000 2.074 366 K HA -0.261 4.059 4.320 0.000 0.000 0.209 366 K C 2.298 178.812 176.600 -0.144 0.000 1.048 366 K CA 1.908 58.090 56.287 -0.175 0.000 0.926 366 K CB -0.228 32.224 32.500 -0.080 0.000 0.713 366 K HN 0.558 nan 8.250 nan 0.000 0.444 367 Q N 0.335 120.056 119.800 -0.131 0.000 2.172 367 Q HA -0.058 4.282 4.340 0.000 0.000 0.200 367 Q C 2.179 177.772 176.000 -0.677 0.000 0.964 367 Q CA 0.640 56.363 55.803 -0.134 0.000 0.855 367 Q CB 0.043 28.937 28.738 0.259 0.000 0.918 367 Q HN 0.346 nan 8.270 nan 0.000 0.444 368 L N 0.498 121.180 121.223 -0.902 0.000 2.056 368 L HA -0.156 4.184 4.340 0.000 0.000 0.207 368 L C 1.930 178.307 176.870 -0.821 0.000 1.078 368 L CA 1.383 55.517 54.840 -1.176 0.000 0.749 368 L CB -0.430 41.106 42.059 -0.871 0.000 0.901 368 L HN 0.289 nan 8.230 nan 0.000 0.433 369 T N 0.070 114.276 114.554 -0.580 0.000 2.708 369 T HA -0.206 4.144 4.350 0.000 0.000 0.266 369 T C 1.531 175.959 174.700 -0.453 0.000 1.037 369 T CA 1.720 63.544 62.100 -0.461 0.000 1.146 369 T CB -0.261 68.509 68.868 -0.164 0.000 0.865 369 T HN 0.587 nan 8.240 nan 0.000 0.435 370 E N 1.587 121.545 120.200 -0.404 0.000 2.347 370 E HA 0.086 4.436 4.350 0.000 0.000 0.196 370 E C 2.269 178.360 176.600 -0.848 0.000 1.008 370 E CA 0.790 56.927 56.400 -0.438 0.000 0.852 370 E CB -0.245 29.336 29.700 -0.198 0.000 0.783 370 E HN 0.516 nan 8.360 nan 0.000 0.505 371 A N 1.787 124.031 122.820 -0.961 0.000 1.872 371 A HA -0.025 4.295 4.320 0.000 0.000 0.214 371 A C 2.501 179.646 177.584 -0.730 0.000 1.187 371 A CA 0.921 52.350 52.037 -1.013 0.000 0.614 371 A CB -0.679 17.849 19.000 -0.786 0.000 0.826 371 A HN 0.148 nan 8.150 nan 0.000 0.442 372 V N 0.243 119.717 119.914 -0.734 0.000 2.392 372 V HA -0.349 3.771 4.120 0.000 0.000 0.249 372 V C 2.656 178.412 176.094 -0.564 0.000 1.059 372 V CA 2.395 64.196 62.300 -0.832 0.000 1.051 372 V CB -0.907 30.263 31.823 -1.088 0.000 0.658 372 V HN 0.645 nan 8.190 nan 0.000 0.455 373 Q N -0.584 118.936 119.800 -0.467 0.000 2.079 373 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 373 Q C 2.469 178.325 176.000 -0.239 0.000 0.974 373 Q CA 1.261 56.892 55.803 -0.286 0.000 0.840 373 Q CB -0.249 28.351 28.738 -0.229 0.000 0.898 373 Q HN 0.468 nan 8.270 nan 0.000 0.430 374 K N 0.857 121.051 120.400 -0.343 0.000 2.103 374 K HA -0.178 4.142 4.320 0.000 0.000 0.207 374 K C 1.844 178.323 176.600 -0.202 0.000 1.048 374 K CA 1.126 57.263 56.287 -0.250 0.000 0.930 374 K CB -0.065 32.245 32.500 -0.316 0.000 0.716 374 K HN 0.197 nan 8.250 nan 0.000 0.444 375 I N 0.066 120.457 120.570 -0.298 0.000 2.162 375 I HA -0.235 3.935 4.170 0.000 0.000 0.238 375 I C 2.272 178.369 176.117 -0.033 0.000 1.076 375 I CA 1.253 62.405 61.300 -0.246 0.000 1.353 375 I CB -0.652 37.190 38.000 -0.264 0.000 1.063 375 I HN 0.076 nan 8.210 nan 0.000 0.408 376 T N 0.041 114.628 114.554 0.056 0.000 2.649 376 T HA -0.274 4.076 4.350 0.000 0.000 0.268 376 T C 1.939 176.663 174.700 0.041 0.000 1.036 376 T CA 2.375 64.535 62.100 0.100 0.000 1.157 376 T CB -0.516 68.410 68.868 0.097 0.000 0.861 376 T HN 0.359 nan 8.240 nan 0.000 0.445 377 T N 1.735 116.288 114.554 -0.002 0.000 2.674 377 T HA -0.124 4.226 4.350 0.000 0.000 0.265 377 T C 1.988 176.679 174.700 -0.014 0.000 1.039 377 T CA 1.715 63.812 62.100 -0.006 0.000 1.150 377 T CB -0.286 68.571 68.868 -0.018 0.000 0.864 377 T HN 0.794 nan 8.240 nan 0.000 0.427 378 E N 0.228 120.412 120.200 -0.025 0.000 2.482 378 E HA 0.069 4.419 4.350 0.000 0.000 0.196 378 E C 1.987 178.536 176.600 -0.085 0.000 1.047 378 E CA 0.654 57.022 56.400 -0.053 0.000 0.869 378 E CB -0.037 29.639 29.700 -0.040 0.000 0.836 378 E HN 0.239 nan 8.360 nan 0.000 0.520 379 S N 0.778 116.489 115.700 0.018 0.000 2.406 379 S HA 0.082 4.552 4.470 0.000 0.000 0.224 379 S C 1.841 176.491 174.600 0.082 0.000 1.030 379 S CA 0.384 58.678 58.200 0.157 0.000 0.958 379 S CB -0.094 63.255 63.200 0.248 0.000 0.811 379 S HN 0.253 nan 8.310 nan 0.000 0.489 380 I N 1.408 122.000 120.570 0.036 0.000 2.394 380 I HA -0.119 4.051 4.170 0.000 0.000 0.251 380 I C 1.931 178.025 176.117 -0.039 0.000 1.136 380 I CA 0.746 62.059 61.300 0.022 0.000 1.425 380 I CB -0.224 37.793 38.000 0.028 0.000 1.079 380 I HN 0.149 nan 8.210 nan 0.000 0.425 381 V N 0.868 120.729 119.914 -0.088 0.000 2.379 381 V HA -0.223 3.897 4.120 0.000 0.000 0.245 381 V C 2.146 178.102 176.094 -0.230 0.000 1.044 381 V CA 1.701 63.927 62.300 -0.124 0.000 1.036 381 V CB -0.296 31.457 31.823 -0.117 0.000 0.664 381 V HN 0.315 nan 8.190 nan 0.000 0.453 382 I N -1.693 118.611 120.570 -0.443 0.000 2.339 382 I HA -0.091 4.079 4.170 0.000 0.000 0.245 382 I C 2.006 177.632 176.117 -0.817 0.000 1.096 382 I CA 1.306 62.123 61.300 -0.805 0.000 1.408 382 I CB -0.180 36.909 38.000 -1.518 0.000 1.092 382 I HN 0.367 nan 8.210 nan 0.000 0.423 383 W N 0.491 121.673 121.300 -0.198 0.000 3.008 383 W HA 0.393 5.053 4.660 0.000 0.000 0.355 383 W C 1.372 177.808 176.519 -0.138 0.000 1.095 383 W CA 0.494 57.653 57.345 -0.311 0.000 1.738 383 W CB -0.239 28.859 29.460 -0.603 0.000 1.091 383 W HN 0.331 nan 8.180 nan 0.000 0.574 384 G N 2.431 111.269 108.800 0.063 0.000 2.153 384 G HA2 -0.318 3.642 3.960 0.000 0.000 0.252 384 G HA3 -0.318 3.642 3.960 0.000 0.000 0.252 384 G C 0.204 175.159 174.900 0.091 0.000 0.994 384 G CA 1.088 46.228 45.100 0.066 0.000 0.698 384 G HN 0.392 nan 8.290 nan 0.000 0.521 385 K N -1.581 118.889 120.400 0.117 0.000 2.522 385 K HA 0.752 5.072 4.320 0.000 0.000 0.275 385 K C -0.360 176.288 176.600 0.079 0.000 1.006 385 K CA -0.451 55.891 56.287 0.092 0.000 0.890 385 K CB 0.996 33.549 32.500 0.088 0.000 1.475 385 K HN 0.513 nan 8.250 nan 0.000 0.441 386 T N -0.645 113.936 114.554 0.044 0.000 2.875 386 T HA 0.552 4.902 4.350 0.000 0.000 0.284 386 T C -2.156 172.480 174.700 -0.107 0.000 0.995 386 T CA -1.483 60.625 62.100 0.013 0.000 1.060 386 T CB 1.164 70.077 68.868 0.075 0.000 0.967 386 T HN 0.489 nan 8.240 nan 0.000 0.476 387 P HA 0.458 nan 4.420 nan 0.000 0.284 387 P C -1.017 175.923 177.300 -0.600 0.000 1.287 387 P CA -0.944 61.859 63.100 -0.494 0.000 0.824 387 P CB 1.052 32.355 31.700 -0.661 0.000 1.180 388 K N 0.239 120.343 120.400 -0.493 0.000 2.201 388 K HA 0.440 4.760 4.320 0.000 0.000 0.278 388 K C -0.504 175.837 176.600 -0.431 0.000 1.027 388 K CA -0.209 55.892 56.287 -0.311 0.000 0.909 388 K CB 0.318 32.698 32.500 -0.200 0.000 1.062 388 K HN 0.297 nan 8.250 nan 0.000 0.465 389 F N 1.828 121.741 119.950 -0.060 0.000 2.425 389 F HA 0.348 4.875 4.527 -0.000 0.000 0.331 389 F C 0.594 176.426 175.800 0.054 0.000 1.085 389 F CA -0.738 57.242 58.000 -0.035 0.000 1.028 389 F CB 1.216 40.168 39.000 -0.079 0.000 1.177 389 F HN 0.046 nan 8.300 nan 0.000 0.487 390 K N 4.734 125.290 120.400 0.261 0.000 2.449 390 K HA 0.497 4.817 4.320 0.000 0.000 0.257 390 K C -1.148 175.589 176.600 0.229 0.000 0.989 390 K CA -0.237 56.181 56.287 0.220 0.000 0.916 390 K CB 1.600 34.204 32.500 0.173 0.000 1.136 390 K HN 0.578 nan 8.250 nan 0.000 0.439 391 L N 3.551 124.933 121.223 0.266 0.000 2.346 391 L HA 0.409 4.749 4.340 0.000 0.000 0.274 391 L C -1.967 175.024 176.870 0.202 0.000 1.007 391 L CA -2.275 52.639 54.840 0.125 0.000 0.818 391 L CB 2.026 43.977 42.059 -0.179 0.000 1.284 391 L HN 0.196 nan 8.230 nan 0.000 0.424 392 P HA 0.205 nan 4.420 nan 0.000 0.246 392 P C -0.595 176.850 177.300 0.242 0.000 1.686 392 P CA 0.530 63.766 63.100 0.226 0.000 0.867 392 P CB -0.115 31.702 31.700 0.196 0.000 1.733 393 I N -1.295 119.431 120.570 0.260 0.000 2.730 393 I HA 0.278 4.448 4.170 0.000 0.000 0.298 393 I C -0.573 175.654 176.117 0.182 0.000 1.089 393 I CA -1.087 60.281 61.300 0.113 0.000 1.041 393 I CB 2.036 39.956 38.000 -0.134 0.000 1.235 393 I HN -0.277 nan 8.210 nan 0.000 0.423 394 Q N 5.367 125.110 119.800 -0.095 0.000 2.354 394 Q HA 0.201 4.541 4.340 0.000 0.000 0.244 394 Q C 0.447 176.532 176.000 0.141 0.000 0.969 394 Q CA -0.370 55.234 55.803 -0.332 0.000 0.885 394 Q CB 1.142 29.649 28.738 -0.384 0.000 1.241 394 Q HN 0.556 nan 8.270 nan 0.000 0.461 395 K N 1.614 122.079 120.400 0.109 0.000 2.209 395 K HA -0.162 4.158 4.320 0.000 0.000 0.204 395 K C 1.412 178.172 176.600 0.266 0.000 1.048 395 K CA 1.151 57.610 56.287 0.286 0.000 0.940 395 K CB 0.299 32.828 32.500 0.049 0.000 0.729 395 K HN 0.504 nan 8.250 nan 0.000 0.451 396 E N -0.141 120.115 120.200 0.094 0.000 2.230 396 E HA -0.036 4.314 4.350 0.000 0.000 0.192 396 E C 1.682 178.313 176.600 0.053 0.000 0.987 396 E CA 0.943 57.374 56.400 0.052 0.000 0.841 396 E CB 0.116 29.806 29.700 -0.017 0.000 0.783 396 E HN 0.169 nan 8.360 nan 0.000 0.481 397 T N -0.028 114.564 114.554 0.064 0.000 2.770 397 T HA -0.143 4.207 4.350 0.000 0.000 0.263 397 T C 1.383 176.174 174.700 0.151 0.000 1.039 397 T CA 0.986 63.110 62.100 0.040 0.000 1.142 397 T CB -0.448 68.409 68.868 -0.017 0.000 0.868 397 T HN 0.416 nan 8.240 nan 0.000 0.435 398 W N 2.186 123.543 121.300 0.096 0.000 2.355 398 W HA -0.121 4.539 4.660 -0.000 0.000 0.309 398 W C 2.060 178.779 176.519 0.333 0.000 1.206 398 W CA 1.280 58.758 57.345 0.222 0.000 1.284 398 W CB -0.173 29.451 29.460 0.273 0.000 1.145 398 W HN 0.354 nan 8.180 nan 0.000 0.502 399 E N -0.464 119.851 120.200 0.192 0.000 2.085 399 E HA -0.206 4.144 4.350 0.000 0.000 0.194 399 E C 1.985 178.342 176.600 -0.404 0.000 0.994 399 E CA 2.290 58.600 56.400 -0.150 0.000 0.801 399 E CB -0.159 29.537 29.700 -0.007 0.000 0.743 399 E HN 0.198 nan 8.360 nan 0.000 0.453 400 T N 0.412 114.859 114.554 -0.179 0.000 2.867 400 T HA -0.154 4.196 4.350 0.000 0.000 0.268 400 T C 1.244 175.855 174.700 -0.149 0.000 1.057 400 T CA 0.813 62.815 62.100 -0.164 0.000 1.136 400 T CB -0.287 68.542 68.868 -0.065 0.000 0.874 400 T HN 0.421 nan 8.240 nan 0.000 0.466 401 W N 1.813 122.898 121.300 -0.359 0.000 2.418 401 W HA -0.102 4.557 4.660 -0.000 0.000 0.319 401 W C 2.338 178.612 176.519 -0.408 0.000 1.183 401 W CA 0.967 58.075 57.345 -0.395 0.000 1.327 401 W CB -0.483 28.719 29.460 -0.429 0.000 1.163 401 W HN 0.432 nan 8.180 nan 0.000 0.479 402 W N 2.736 123.588 121.300 -0.747 0.000 2.363 402 W HA -0.203 4.457 4.660 0.000 0.000 0.296 402 W C 1.934 178.205 176.519 -0.414 0.000 1.212 402 W CA 2.366 59.274 57.345 -0.728 0.000 1.260 402 W CB -1.621 27.395 29.460 -0.740 0.000 1.131 402 W HN -0.040 nan 8.180 nan 0.000 0.530 403 T N -1.165 112.859 114.554 -0.883 0.000 2.915 403 T HA -0.146 4.204 4.350 0.000 0.000 0.269 403 T C 1.430 175.912 174.700 -0.364 0.000 1.071 403 T CA 1.449 63.097 62.100 -0.754 0.000 1.132 403 T CB -0.350 67.989 68.868 -0.882 0.000 0.878 403 T HN 0.069 nan 8.240 nan 0.000 0.479 404 E N -0.308 119.691 120.200 -0.335 0.000 2.415 404 E HA 0.184 4.534 4.350 0.000 0.000 0.197 404 E C -0.008 176.485 176.600 -0.178 0.000 1.007 404 E CA -0.124 56.157 56.400 -0.199 0.000 0.890 404 E CB -0.049 29.566 29.700 -0.142 0.000 0.891 404 E HN 0.561 nan 8.360 nan 0.000 0.496 405 Y N 1.132 121.068 120.300 -0.606 0.000 2.326 405 Y HA 0.019 4.569 4.550 -0.000 0.000 0.333 405 Y C 0.985 176.603 175.900 -0.470 0.000 1.240 405 Y CA -1.126 56.457 58.100 -0.861 0.000 1.365 405 Y CB 0.409 37.982 38.460 -1.480 0.000 1.289 405 Y HN -0.020 nan 8.280 nan 0.000 0.548 406 W N 0.835 121.717 121.300 -0.697 0.000 2.737 406 W HA 0.253 4.913 4.660 -0.000 0.000 0.262 406 W C -0.056 176.152 176.519 -0.519 0.000 1.282 406 W CA -0.214 56.826 57.345 -0.509 0.000 1.386 406 W CB -0.245 28.982 29.460 -0.389 0.000 1.099 406 W HN 0.234 nan 8.180 nan 0.000 0.621 407 Q N 1.358 120.486 119.800 -1.120 0.000 2.260 407 Q HA 0.466 4.806 4.340 0.000 0.000 0.238 407 Q C -0.156 175.684 176.000 -0.267 0.000 0.948 407 Q CA -0.168 55.313 55.803 -0.537 0.000 0.895 407 Q CB 1.353 29.788 28.738 -0.505 0.000 1.218 407 Q HN 0.132 nan 8.270 nan 0.000 0.470 408 A N 1.127 123.890 122.820 -0.095 0.000 2.366 408 A HA 0.484 4.804 4.320 0.000 0.000 0.272 408 A C -0.041 177.576 177.584 0.054 0.000 1.135 408 A CA 0.044 52.072 52.037 -0.015 0.000 0.804 408 A CB 0.592 19.586 19.000 -0.010 0.000 1.064 408 A HN 0.540 nan 8.150 nan 0.000 0.499 409 T N 1.523 116.139 114.554 0.104 0.000 2.916 409 T HA 0.594 4.944 4.350 0.000 0.000 0.305 409 T C -1.980 172.920 174.700 0.334 0.000 1.119 409 T CA -0.233 62.001 62.100 0.223 0.000 1.008 409 T CB 0.832 69.862 68.868 0.271 0.000 1.129 409 T HN 0.945 nan 8.240 nan 0.000 0.480 410 W N 4.487 125.882 121.300 0.159 0.000 3.571 410 W HA 0.683 5.343 4.660 0.000 0.000 0.294 410 W C -2.512 174.010 176.519 0.006 0.000 1.257 410 W CA -0.743 56.669 57.345 0.113 0.000 1.206 410 W CB 1.016 30.456 29.460 -0.033 0.000 1.325 410 W HN 0.644 nan 8.180 nan 0.000 0.546 411 I N 6.696 126.841 120.570 -0.708 0.000 2.509 411 I HA 0.364 4.534 4.170 0.000 0.000 0.293 411 I C -1.725 173.501 176.117 -1.484 0.000 1.020 411 I CA -2.175 58.490 61.300 -1.057 0.000 1.088 411 I CB 2.030 39.200 38.000 -1.382 0.000 1.267 411 I HN 0.166 nan 8.210 nan 0.000 0.430 412 P HA -0.060 nan 4.420 nan 0.000 0.313 412 P C -0.439 176.700 177.300 -0.268 0.000 1.332 412 P CA -0.268 62.281 63.100 -0.919 0.000 0.777 412 P CB 0.306 31.849 31.700 -0.261 0.000 1.599 413 E N 0.582 120.769 120.200 -0.023 0.000 2.299 413 E HA 0.087 4.437 4.350 0.000 0.000 0.272 413 E C -0.906 175.782 176.600 0.145 0.000 1.043 413 E CA -0.219 56.197 56.400 0.028 0.000 0.895 413 E CB 0.097 29.804 29.700 0.013 0.000 1.011 413 E HN 0.303 nan 8.360 nan 0.000 0.432 414 W N 3.484 124.732 121.300 -0.086 0.000 3.062 414 W HA 0.590 5.250 4.660 -0.000 0.000 0.336 414 W C -1.379 175.126 176.519 -0.025 0.000 1.224 414 W CA -1.033 56.283 57.345 -0.049 0.000 1.159 414 W CB 0.584 29.960 29.460 -0.139 0.000 1.454 414 W HN 0.455 nan 8.180 nan 0.000 0.569 415 E N 1.406 121.656 120.200 0.083 0.000 2.317 415 E HA 0.418 4.768 4.350 0.000 0.000 0.270 415 E C -1.736 175.011 176.600 0.246 0.000 0.885 415 E CA -0.958 55.415 56.400 -0.045 0.000 0.760 415 E CB 2.621 32.312 29.700 -0.014 0.000 1.227 415 E HN 0.280 nan 8.360 nan 0.000 0.434 416 F N 4.795 124.765 119.950 0.033 0.000 2.472 416 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 416 F C -1.064 174.810 175.800 0.124 0.000 1.090 416 F CA -0.428 57.684 58.000 0.186 0.000 1.188 416 F CB 0.843 39.919 39.000 0.126 0.000 1.105 416 F HN 0.126 nan 8.300 nan 0.000 0.536 417 V N 7.789 127.536 119.914 -0.278 0.000 2.417 417 V HA 0.309 4.429 4.120 0.000 0.000 0.291 417 V C -0.111 175.623 176.094 -0.601 0.000 1.024 417 V CA -0.740 61.324 62.300 -0.393 0.000 0.861 417 V CB 1.200 32.978 31.823 -0.075 0.000 0.985 417 V HN 0.821 nan 8.190 nan 0.000 0.436 418 N N 4.492 122.788 118.700 -0.673 0.000 3.254 418 N HA 0.085 4.825 4.740 0.000 0.000 0.308 418 N C -0.229 175.218 175.510 -0.105 0.000 1.281 418 N CA 0.223 53.046 53.050 -0.378 0.000 1.212 418 N CB 0.098 38.415 38.487 -0.283 0.000 1.478 418 N HN 0.720 nan 8.380 nan 0.000 0.548 419 T N 1.520 116.047 114.554 -0.046 0.000 2.874 419 T HA 0.425 4.775 4.350 0.000 0.000 0.321 419 T C -2.556 172.172 174.700 0.047 0.000 1.075 419 T CA -1.778 60.324 62.100 0.005 0.000 0.966 419 T CB 0.770 69.641 68.868 0.006 0.000 1.001 419 T HN 0.142 nan 8.240 nan 0.000 0.476 420 P HA 0.232 nan 4.420 nan 0.000 0.270 420 P C -2.364 174.963 177.300 0.045 0.000 1.223 420 P CA -1.000 62.136 63.100 0.059 0.000 0.785 420 P CB -0.002 31.730 31.700 0.053 0.000 0.923 421 P HA 0.127 nan 4.420 nan 0.000 0.276 421 P C -0.536 176.808 177.300 0.075 0.000 1.264 421 P CA 0.231 63.365 63.100 0.057 0.000 0.769 421 P CB 0.392 32.113 31.700 0.035 0.000 0.840 422 L N 3.090 124.363 121.223 0.084 0.000 2.452 422 L HA 0.174 4.514 4.340 0.000 0.000 0.267 422 L C 0.625 177.524 176.870 0.048 0.000 1.188 422 L CA -0.758 54.136 54.840 0.090 0.000 0.821 422 L CB 0.595 42.709 42.059 0.091 0.000 1.102 422 L HN 0.162 nan 8.230 nan 0.000 0.470 423 V N 3.432 123.383 119.914 0.062 0.000 2.385 423 V HA 0.276 4.396 4.120 0.000 0.000 0.269 423 V C 0.220 176.237 176.094 -0.128 0.000 1.043 423 V CA -0.359 61.956 62.300 0.026 0.000 0.906 423 V CB 0.644 32.521 31.823 0.090 0.000 0.995 423 V HN 0.798 nan 8.190 nan 0.000 0.467 424 K N 4.800 125.026 120.400 -0.290 0.000 2.495 424 K HA 0.689 5.009 4.320 0.000 0.000 0.268 424 K C -1.503 174.769 176.600 -0.548 0.000 1.008 424 K CA -1.083 54.939 56.287 -0.442 0.000 0.882 424 K CB 2.237 34.405 32.500 -0.553 0.000 1.443 424 K HN 0.352 nan 8.250 nan 0.000 0.447 425 L N 2.071 123.038 121.223 -0.426 0.000 2.278 425 L HA 0.269 4.609 4.340 0.000 0.000 0.287 425 L C 0.077 176.778 176.870 -0.282 0.000 1.072 425 L CA -0.693 53.954 54.840 -0.322 0.000 0.819 425 L CB 0.269 42.202 42.059 -0.210 0.000 1.176 425 L HN 0.706 nan 8.230 nan 0.000 0.435 426 W N 3.269 124.500 121.300 -0.115 0.000 2.937 426 W HA 0.012 4.671 4.660 -0.000 0.000 0.245 426 W C 0.164 176.794 176.519 0.184 0.000 1.306 426 W CA -0.154 57.212 57.345 0.036 0.000 1.470 426 W CB -0.097 29.425 29.460 0.103 0.000 1.132 426 W HN 0.494 nan 8.180 nan 0.000 0.675 427 Y N -2.958 117.456 120.300 0.190 0.000 2.741 427 Y HA 0.469 5.019 4.550 0.000 0.000 0.339 427 Y C -1.109 174.849 175.900 0.096 0.000 1.226 427 Y CA -2.228 55.949 58.100 0.128 0.000 1.072 427 Y CB 0.653 39.186 38.460 0.122 0.000 1.331 427 Y HN -0.184 nan 8.280 nan 0.000 0.453 428 Q N 2.616 122.586 119.800 0.283 0.000 2.334 428 Q HA 0.418 4.758 4.340 0.000 0.000 0.249 428 Q C -2.027 174.096 176.000 0.205 0.000 0.909 428 Q CA -0.495 55.415 55.803 0.177 0.000 0.823 428 Q CB 1.736 30.530 28.738 0.094 0.000 1.353 428 Q HN 0.934 nan 8.270 nan 0.000 0.433 429 L N 2.665 124.021 121.223 0.222 0.000 2.483 429 L HA 0.141 4.481 4.340 0.000 0.000 0.275 429 L C 0.686 177.655 176.870 0.164 0.000 1.220 429 L CA -0.016 54.930 54.840 0.176 0.000 0.833 429 L CB 0.320 42.465 42.059 0.143 0.000 1.102 429 L HN 0.524 nan 8.230 nan 0.000 0.490 430 E N 1.911 122.236 120.200 0.208 0.000 2.366 430 E HA 0.012 4.362 4.350 0.000 0.000 0.266 430 E C 0.372 177.163 176.600 0.318 0.000 1.051 430 E CA -0.137 56.408 56.400 0.241 0.000 0.884 430 E CB 1.046 30.890 29.700 0.239 0.000 1.006 430 E HN 0.397 nan 8.360 nan 0.000 0.417 431 K N 0.828 121.341 120.400 0.190 0.000 2.076 431 K HA -0.072 4.248 4.320 0.000 0.000 0.204 431 K C 0.083 176.777 176.600 0.156 0.000 1.051 431 K CA 1.030 57.418 56.287 0.168 0.000 0.949 431 K CB 0.365 32.911 32.500 0.077 0.000 0.726 431 K HN 0.233 nan 8.250 nan 0.000 0.443 432 E N 0.609 120.795 120.200 -0.024 0.000 2.227 432 E HA 0.296 4.646 4.350 0.000 0.000 0.268 432 E C -2.703 173.498 176.600 -0.665 0.000 0.907 432 E CA -2.833 53.394 56.400 -0.287 0.000 0.786 432 E CB 1.679 31.286 29.700 -0.155 0.000 1.191 432 E HN 0.012 nan 8.360 nan 0.000 0.411 433 P HA 0.080 nan 4.420 nan 0.000 0.267 433 P C -0.358 176.741 177.300 -0.335 0.000 1.205 433 P CA 0.127 62.673 63.100 -0.923 0.000 0.765 433 P CB 0.335 31.629 31.700 -0.676 0.000 0.828 434 I N 2.934 123.405 120.570 -0.164 0.000 2.598 434 I HA 0.001 4.171 4.170 0.000 0.000 0.284 434 I C 0.691 176.780 176.117 -0.047 0.000 1.140 434 I CA -0.211 61.051 61.300 -0.064 0.000 1.420 434 I CB 0.187 38.186 38.000 -0.001 0.000 1.387 434 I HN 0.074 nan 8.210 nan 0.000 0.553 435 V N 5.979 125.868 119.914 -0.042 0.000 2.498 435 V HA 0.481 4.601 4.120 0.000 0.000 0.279 435 V C 1.086 177.176 176.094 -0.007 0.000 1.048 435 V CA 0.134 62.419 62.300 -0.025 0.000 0.967 435 V CB 0.525 32.333 31.823 -0.026 0.000 0.988 435 V HN 1.131 nan 8.190 nan 0.000 0.473 436 G N 3.219 112.021 108.800 0.003 0.000 2.130 436 G HA2 0.098 4.058 3.960 0.000 0.000 0.216 436 G HA3 0.098 4.058 3.960 0.000 0.000 0.216 436 G C 0.036 174.950 174.900 0.023 0.000 0.999 436 G CA 0.103 45.210 45.100 0.012 0.000 0.686 436 G HN 1.541 nan 8.290 nan 0.000 0.515 437 A N -0.540 122.299 122.820 0.031 0.000 2.401 437 A HA 0.819 5.139 4.320 0.000 0.000 0.310 437 A C -0.044 177.586 177.584 0.077 0.000 1.075 437 A CA -0.236 51.832 52.037 0.053 0.000 0.746 437 A CB 1.296 20.325 19.000 0.049 0.000 1.277 437 A HN 0.444 nan 8.150 nan 0.000 0.425 438 E N 0.674 120.947 120.200 0.122 0.000 2.360 438 E HA 0.302 4.652 4.350 0.000 0.000 0.269 438 E C -0.612 176.121 176.600 0.222 0.000 1.022 438 E CA 0.090 56.578 56.400 0.145 0.000 0.887 438 E CB 0.550 30.360 29.700 0.184 0.000 0.990 438 E HN 0.551 nan 8.360 nan 0.000 0.426 439 T N 5.005 119.629 114.554 0.117 0.000 2.733 439 T HA 0.259 4.609 4.350 0.000 0.000 0.294 439 T C -0.743 174.009 174.700 0.086 0.000 0.956 439 T CA -0.278 61.886 62.100 0.107 0.000 0.987 439 T CB -0.087 68.806 68.868 0.042 0.000 0.920 439 T HN 0.219 nan 8.240 nan 0.000 0.470 440 F N 3.261 123.163 119.950 -0.080 0.000 2.334 440 F HA 0.390 4.917 4.527 0.000 0.000 0.367 440 F C -0.123 175.666 175.800 -0.019 0.000 1.115 440 F CA -1.320 56.664 58.000 -0.027 0.000 1.116 440 F CB 0.487 39.398 39.000 -0.148 0.000 1.230 440 F HN 0.514 nan 8.300 nan 0.000 0.484 441 Y N 3.034 123.434 120.300 0.167 0.000 2.350 441 Y HA 0.505 5.055 4.550 -0.000 0.000 0.340 441 Y C 0.192 176.195 175.900 0.171 0.000 1.006 441 Y CA -0.950 57.225 58.100 0.126 0.000 1.166 441 Y CB 1.097 39.596 38.460 0.066 0.000 1.168 441 Y HN 0.366 nan 8.280 nan 0.000 0.502 442 V N 0.641 120.720 119.914 0.275 0.000 2.769 442 V HA 0.785 4.905 4.120 0.000 0.000 0.312 442 V C -1.056 175.140 176.094 0.169 0.000 1.061 442 V CA -0.496 61.947 62.300 0.240 0.000 0.931 442 V CB 2.215 34.171 31.823 0.222 0.000 1.010 442 V HN 0.705 nan 8.190 nan 0.000 0.433 443 D N 1.208 121.698 120.400 0.151 0.000 2.677 443 D HA 0.794 5.434 4.640 0.000 0.000 0.298 443 D C -0.694 175.673 176.300 0.112 0.000 1.250 443 D CA 0.359 54.429 54.000 0.117 0.000 0.888 443 D CB 2.365 43.224 40.800 0.099 0.000 1.397 443 D HN 1.351 nan 8.370 nan 0.000 0.461 444 G N -0.208 108.651 108.800 0.099 0.000 2.524 444 G HA2 0.630 4.590 3.960 0.000 0.000 0.306 444 G HA3 0.630 4.590 3.960 0.000 0.000 0.306 444 G C -1.349 173.598 174.900 0.078 0.000 1.420 444 G CA 0.192 45.344 45.100 0.087 0.000 1.086 444 G HN 0.487 nan 8.290 nan 0.000 0.591 445 A N 0.853 123.711 122.820 0.063 0.000 2.282 445 A HA 1.111 5.431 4.320 0.000 0.000 0.324 445 A C 0.204 177.815 177.584 0.044 0.000 1.119 445 A CA -0.185 51.885 52.037 0.056 0.000 0.880 445 A CB 1.806 20.836 19.000 0.051 0.000 1.294 445 A HN 2.500 nan 8.150 nan 0.000 0.493 446 A N 0.141 122.983 122.820 0.037 0.000 2.566 446 A HA 0.587 4.907 4.320 0.000 0.000 0.297 446 A C -0.894 176.703 177.584 0.022 0.000 1.059 446 A CA -0.488 51.566 52.037 0.028 0.000 0.691 446 A CB 0.817 19.834 19.000 0.028 0.000 1.282 446 A HN 0.912 nan 8.150 nan 0.000 0.401 447 N N 1.185 119.896 118.700 0.017 0.000 2.408 447 N HA 0.172 4.912 4.740 0.000 0.000 0.257 447 N C 1.138 176.655 175.510 0.012 0.000 1.064 447 N CA -0.393 52.665 53.050 0.013 0.000 0.952 447 N CB 0.702 39.196 38.487 0.010 0.000 1.093 447 N HN 0.734 nan 8.380 nan 0.000 0.490 448 R N 2.814 123.320 120.500 0.010 0.000 2.285 448 R HA -0.043 4.297 4.340 0.000 0.000 0.213 448 R C 0.501 176.805 176.300 0.007 0.000 1.068 448 R CA 1.158 57.263 56.100 0.008 0.000 1.004 448 R CB 0.021 30.325 30.300 0.006 0.000 0.873 448 R HN 0.629 nan 8.270 nan 0.000 0.467 449 E N 0.495 120.699 120.200 0.007 0.000 2.307 449 E HA -0.024 4.326 4.350 0.000 0.000 0.195 449 E C 1.104 177.708 176.600 0.006 0.000 0.975 449 E CA 1.211 57.615 56.400 0.006 0.000 0.878 449 E CB 0.729 30.432 29.700 0.006 0.000 0.845 449 E HN 0.550 nan 8.360 nan 0.000 0.488 450 T N -2.013 112.546 114.554 0.007 0.000 3.001 450 T HA 0.126 4.476 4.350 0.000 0.000 0.251 450 T C 0.804 175.509 174.700 0.009 0.000 1.040 450 T CA -0.305 61.800 62.100 0.008 0.000 0.985 450 T CB 0.338 69.210 68.868 0.007 0.000 1.011 450 T HN -0.168 nan 8.240 nan 0.000 0.509 451 K N 0.559 120.965 120.400 0.010 0.000 3.407 451 K HA -0.114 4.206 4.320 0.000 0.000 0.312 451 K C -0.040 176.569 176.600 0.015 0.000 1.302 451 K CA 0.438 56.732 56.287 0.012 0.000 0.931 451 K CB -2.595 29.912 32.500 0.011 0.000 1.257 451 K HN 0.532 nan 8.250 nan 0.000 0.454 452 L N -0.276 120.956 121.223 0.014 0.000 2.387 452 L HA 0.750 5.090 4.340 0.000 0.000 0.266 452 L C 1.015 177.896 176.870 0.019 0.000 1.059 452 L CA -0.201 54.649 54.840 0.016 0.000 0.801 452 L CB 1.740 43.807 42.059 0.013 0.000 1.223 452 L HN 0.212 nan 8.230 nan 0.000 0.456 453 G N 0.359 109.172 108.800 0.022 0.000 2.523 453 G HA2 0.449 4.409 3.960 0.000 0.000 0.291 453 G HA3 0.449 4.409 3.960 0.000 0.000 0.291 453 G C -1.969 172.948 174.900 0.028 0.000 1.450 453 G CA -0.634 44.482 45.100 0.027 0.000 0.790 453 G HN 0.389 nan 8.290 nan 0.000 0.496 454 K N -0.713 119.706 120.400 0.031 0.000 2.385 454 K HA 0.818 5.138 4.320 0.000 0.000 0.248 454 K C -0.832 175.793 176.600 0.043 0.000 0.955 454 K CA -0.760 55.544 56.287 0.029 0.000 0.816 454 K CB 2.629 35.139 32.500 0.017 0.000 1.250 454 K HN 0.908 nan 8.250 nan 0.000 0.434 455 A N 0.919 123.766 122.820 0.044 0.000 2.459 455 A HA 0.836 5.156 4.320 0.000 0.000 0.296 455 A C -0.841 176.777 177.584 0.055 0.000 1.039 455 A CA -0.381 51.696 52.037 0.067 0.000 0.698 455 A CB 1.883 20.937 19.000 0.090 0.000 1.261 455 A HN 0.784 nan 8.150 nan 0.000 0.405 456 G N -0.048 108.797 108.800 0.074 0.000 2.554 456 G HA2 0.720 4.680 3.960 0.000 0.000 0.306 456 G HA3 0.720 4.680 3.960 0.000 0.000 0.306 456 G C -1.363 173.630 174.900 0.155 0.000 1.320 456 G CA 0.184 45.310 45.100 0.043 0.000 0.800 456 G HN 1.910 nan 8.290 nan 0.000 0.481 457 Y N -2.533 117.830 120.300 0.105 0.000 2.669 457 Y HA 0.873 5.423 4.550 -0.000 0.000 0.335 457 Y C -1.143 174.794 175.900 0.063 0.000 1.116 457 Y CA -1.832 56.349 58.100 0.134 0.000 1.081 457 Y CB 1.798 40.416 38.460 0.262 0.000 1.297 457 Y HN 0.947 nan 8.280 nan 0.000 0.484 458 V N 1.286 121.408 119.914 0.346 0.000 2.891 458 V HA 0.687 4.808 4.120 0.000 0.000 0.304 458 V C -0.796 175.383 176.094 0.142 0.000 1.171 458 V CA 0.280 62.674 62.300 0.157 0.000 0.943 458 V CB 2.158 34.002 31.823 0.034 0.000 1.037 458 V HN 1.364 nan 8.190 nan 0.000 0.427 459 T N 1.895 116.437 114.554 -0.019 0.000 2.927 459 T HA 0.391 4.741 4.350 0.000 0.000 0.286 459 T C 1.041 175.719 174.700 -0.037 0.000 1.040 459 T CA -0.075 61.934 62.100 -0.151 0.000 1.010 459 T CB 1.543 70.088 68.868 -0.539 0.000 1.177 459 T HN 0.792 nan 8.240 nan 0.000 0.546 460 N N 0.704 119.402 118.700 -0.004 0.000 2.270 460 N HA -0.111 4.629 4.740 0.000 0.000 0.181 460 N C 1.241 176.743 175.510 -0.014 0.000 1.016 460 N CA 0.800 53.866 53.050 0.026 0.000 0.870 460 N CB -0.223 38.302 38.487 0.064 0.000 0.979 460 N HN 0.654 nan 8.380 nan 0.000 0.431 461 K N -0.447 119.927 120.400 -0.043 0.000 2.366 461 K HA 0.112 4.432 4.320 0.000 0.000 0.198 461 K C 0.908 177.489 176.600 -0.033 0.000 1.044 461 K CA 0.738 57.005 56.287 -0.033 0.000 0.973 461 K CB 0.214 32.693 32.500 -0.036 0.000 0.767 461 K HN 0.465 nan 8.250 nan 0.000 0.475 462 G N 1.561 110.335 108.800 -0.043 0.000 2.260 462 G HA2 -0.227 3.733 3.960 0.000 0.000 0.179 462 G HA3 -0.227 3.733 3.960 0.000 0.000 0.179 462 G C -0.018 174.865 174.900 -0.028 0.000 1.002 462 G CA -0.394 44.686 45.100 -0.033 0.000 0.677 462 G HN 0.226 nan 8.290 nan 0.000 0.486 463 R N 0.921 121.403 120.500 -0.030 0.000 2.623 463 R HA 0.545 4.885 4.340 0.000 0.000 0.271 463 R C 0.059 176.386 176.300 0.045 0.000 1.043 463 R CA 0.736 56.849 56.100 0.021 0.000 1.083 463 R CB 0.278 30.591 30.300 0.021 0.000 0.974 463 R HN 0.408 nan 8.270 nan 0.000 0.436 464 Q N 1.947 121.741 119.800 -0.010 0.000 2.435 464 Q HA 0.348 4.688 4.340 0.000 0.000 0.282 464 Q C -1.873 173.873 176.000 -0.424 0.000 1.020 464 Q CA -0.934 54.743 55.803 -0.210 0.000 0.820 464 Q CB 2.055 30.716 28.738 -0.128 0.000 1.436 464 Q HN 0.566 nan 8.270 nan 0.000 0.395 465 K N 1.503 121.488 120.400 -0.692 0.000 2.578 465 K HA 0.394 4.714 4.320 0.000 0.000 0.263 465 K C -1.968 174.396 176.600 -0.393 0.000 0.973 465 K CA -0.481 55.480 56.287 -0.544 0.000 0.909 465 K CB 1.464 33.591 32.500 -0.622 0.000 1.326 465 K HN 0.424 nan 8.250 nan 0.000 0.440 466 V N 0.840 120.639 119.914 -0.192 0.000 2.769 466 V HA 0.866 4.986 4.120 0.000 0.000 0.312 466 V C -1.302 174.758 176.094 -0.057 0.000 1.061 466 V CA -0.519 61.718 62.300 -0.105 0.000 0.931 466 V CB 1.979 33.761 31.823 -0.068 0.000 1.010 466 V HN 0.401 nan 8.190 nan 0.000 0.433 467 V N 4.284 124.187 119.914 -0.019 0.000 2.709 467 V HA 0.586 4.706 4.120 0.000 0.000 0.308 467 V C -2.505 173.597 176.094 0.013 0.000 1.062 467 V CA -1.654 60.646 62.300 0.001 0.000 0.901 467 V CB 2.151 33.987 31.823 0.022 0.000 1.003 467 V HN 0.943 nan 8.190 nan 0.000 0.425 468 P HA 0.455 nan 4.420 nan 0.000 0.275 468 P C -1.164 176.152 177.300 0.027 0.000 1.228 468 P CA -0.155 62.955 63.100 0.017 0.000 0.786 468 P CB 0.815 32.523 31.700 0.012 0.000 0.927 469 L N 1.464 122.704 121.223 0.029 0.000 2.381 469 L HA 0.380 4.720 4.340 0.000 0.000 0.268 469 L C 1.340 178.228 176.870 0.029 0.000 0.997 469 L CA -0.553 54.308 54.840 0.035 0.000 0.818 469 L CB 2.059 44.145 42.059 0.045 0.000 1.310 469 L HN 0.306 nan 8.230 nan 0.000 0.416 470 T N -0.843 113.728 114.554 0.028 0.000 2.697 470 T HA -0.086 4.264 4.350 0.000 0.000 0.244 470 T C 0.258 174.971 174.700 0.021 0.000 1.090 470 T CA 0.895 63.009 62.100 0.023 0.000 1.255 470 T CB -0.066 68.815 68.868 0.022 0.000 0.931 470 T HN 0.525 nan 8.240 nan 0.000 0.406 471 D N 1.308 121.721 120.400 0.022 0.000 3.123 471 D HA 0.333 4.973 4.640 0.000 0.000 0.305 471 D C -0.281 176.032 176.300 0.022 0.000 1.373 471 D CA -0.027 53.985 54.000 0.020 0.000 0.889 471 D CB 0.384 41.194 40.800 0.017 0.000 1.070 471 D HN 0.155 nan 8.370 nan 0.000 0.494 472 T N -0.704 113.866 114.554 0.025 0.000 2.824 472 T HA 0.543 4.893 4.350 0.000 0.000 0.277 472 T C 0.286 174.999 174.700 0.021 0.000 0.975 472 T CA -0.389 61.729 62.100 0.029 0.000 0.966 472 T CB 0.899 69.790 68.868 0.038 0.000 1.054 472 T HN 0.256 nan 8.240 nan 0.000 0.533 473 T N -0.022 114.545 114.554 0.020 0.000 2.916 473 T HA 0.420 4.770 4.350 0.000 0.000 0.292 473 T C 1.050 175.755 174.700 0.009 0.000 1.064 473 T CA -0.907 61.196 62.100 0.005 0.000 1.011 473 T CB 1.302 70.162 68.868 -0.013 0.000 1.152 473 T HN 0.453 nan 8.240 nan 0.000 0.510 474 N N 0.115 118.813 118.700 -0.004 0.000 2.223 474 N HA -0.103 4.637 4.740 0.000 0.000 0.185 474 N C 1.695 177.212 175.510 0.011 0.000 1.016 474 N CA 1.341 54.396 53.050 0.009 0.000 0.863 474 N CB -0.155 38.335 38.487 0.005 0.000 0.983 474 N HN 0.638 nan 8.380 nan 0.000 0.429 475 Q N 0.342 120.114 119.800 -0.047 0.000 2.137 475 Q HA 0.077 4.417 4.340 0.000 0.000 0.198 475 Q C 1.855 177.918 176.000 0.104 0.000 0.960 475 Q CA 0.873 56.635 55.803 -0.067 0.000 0.847 475 Q CB 0.135 28.585 28.738 -0.480 0.000 0.915 475 Q HN 0.222 nan 8.270 nan 0.000 0.448 476 K N 0.055 120.500 120.400 0.076 0.000 2.097 476 K HA -0.102 4.218 4.320 0.000 0.000 0.206 476 K C 2.159 178.825 176.600 0.111 0.000 1.049 476 K CA 1.700 58.053 56.287 0.111 0.000 0.933 476 K CB -0.142 32.403 32.500 0.075 0.000 0.717 476 K HN 0.362 nan 8.250 nan 0.000 0.442 477 T N -0.306 114.304 114.554 0.093 0.000 2.821 477 T HA -0.168 4.182 4.350 0.000 0.000 0.267 477 T C 1.913 176.683 174.700 0.116 0.000 1.046 477 T CA 0.973 63.130 62.100 0.095 0.000 1.139 477 T CB -0.195 68.718 68.868 0.076 0.000 0.871 477 T HN 0.198 nan 8.240 nan 0.000 0.454 478 Q N 0.304 120.182 119.800 0.130 0.000 2.230 478 Q HA 0.227 4.567 4.340 0.000 0.000 0.202 478 Q C 2.216 178.306 176.000 0.150 0.000 0.963 478 Q CA 0.718 56.609 55.803 0.147 0.000 0.866 478 Q CB -0.287 28.553 28.738 0.171 0.000 0.931 478 Q HN 0.493 nan 8.270 nan 0.000 0.452 479 L N -0.183 121.135 121.223 0.159 0.000 2.179 479 L HA -0.129 4.211 4.340 0.000 0.000 0.208 479 L C 2.394 179.342 176.870 0.130 0.000 1.096 479 L CA 0.553 55.468 54.840 0.127 0.000 0.779 479 L CB -0.098 42.039 42.059 0.130 0.000 0.922 479 L HN 0.232 nan 8.230 nan 0.000 0.443 480 Q N -0.062 119.826 119.800 0.146 0.000 2.084 480 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 480 Q C 2.318 178.441 176.000 0.206 0.000 0.978 480 Q CA 1.729 57.645 55.803 0.188 0.000 0.844 480 Q CB -0.203 28.627 28.738 0.154 0.000 0.898 480 Q HN 0.498 nan 8.270 nan 0.000 0.426 481 A N 0.451 123.372 122.820 0.168 0.000 2.067 481 A HA -0.111 4.209 4.320 0.000 0.000 0.219 481 A C 1.911 179.594 177.584 0.164 0.000 1.158 481 A CA 0.809 52.953 52.037 0.178 0.000 0.661 481 A CB -0.320 18.780 19.000 0.167 0.000 0.801 481 A HN 0.275 nan 8.150 nan 0.000 0.452 482 I N -1.981 118.670 120.570 0.135 0.000 2.480 482 I HA -0.121 4.049 4.170 0.000 0.000 0.251 482 I C 2.322 178.494 176.117 0.092 0.000 1.124 482 I CA 1.040 62.386 61.300 0.077 0.000 1.444 482 I CB -1.303 36.727 38.000 0.050 0.000 1.098 482 I HN 0.477 nan 8.210 nan 0.000 0.428 483 Y N 2.355 122.649 120.300 -0.009 0.000 2.181 483 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 483 Y C 2.437 178.329 175.900 -0.013 0.000 1.146 483 Y CA 1.429 59.516 58.100 -0.022 0.000 1.164 483 Y CB -0.566 37.895 38.460 0.003 0.000 0.982 483 Y HN 0.018 nan 8.280 nan 0.000 0.515 484 L N -0.652 120.558 121.223 -0.022 0.000 1.994 484 L HA -0.202 4.138 4.340 0.000 0.000 0.208 484 L C 2.737 179.562 176.870 -0.074 0.000 1.071 484 L CA 1.302 56.125 54.840 -0.029 0.000 0.745 484 L CB -1.196 40.991 42.059 0.214 0.000 0.892 484 L HN 0.238 nan 8.230 nan 0.000 0.431 485 A N -0.114 122.643 122.820 -0.104 0.000 2.024 485 A HA -0.164 4.156 4.320 0.000 0.000 0.220 485 A C 2.227 179.391 177.584 -0.700 0.000 1.164 485 A CA 1.493 53.224 52.037 -0.510 0.000 0.643 485 A CB -0.569 18.238 19.000 -0.322 0.000 0.806 485 A HN 0.402 nan 8.150 nan 0.000 0.451 486 L N -1.564 119.430 121.223 -0.382 0.000 2.270 486 L HA -0.104 4.236 4.340 0.000 0.000 0.210 486 L C 2.778 179.477 176.870 -0.286 0.000 1.104 486 L CA 0.762 55.408 54.840 -0.323 0.000 0.804 486 L CB -0.307 41.655 42.059 -0.162 0.000 0.937 486 L HN 0.445 nan 8.230 nan 0.000 0.450 487 Q N 0.053 119.674 119.800 -0.298 0.000 2.020 487 Q HA -0.164 4.176 4.340 0.000 0.000 0.198 487 Q C 0.761 176.664 176.000 -0.160 0.000 0.974 487 Q CA 1.393 57.050 55.803 -0.245 0.000 0.829 487 Q CB 0.007 28.552 28.738 -0.322 0.000 0.894 487 Q HN 0.382 nan 8.270 nan 0.000 0.433 488 D N 0.679 120.998 120.400 -0.136 0.000 2.346 488 D HA -0.005 4.635 4.640 0.000 0.000 0.248 488 D C -0.194 176.085 176.300 -0.035 0.000 1.173 488 D CA 0.102 54.091 54.000 -0.017 0.000 0.878 488 D CB 0.098 40.996 40.800 0.163 0.000 0.919 488 D HN 0.117 nan 8.370 nan 0.000 0.513 489 S N -1.932 113.657 115.700 -0.186 0.000 2.726 489 S HA 0.790 5.260 4.470 0.000 0.000 0.308 489 S C 0.724 175.272 174.600 -0.087 0.000 1.115 489 S CA -0.890 57.202 58.200 -0.180 0.000 0.965 489 S CB 1.676 64.548 63.200 -0.547 0.000 1.145 489 S HN 0.049 nan 8.310 nan 0.000 0.532 490 G N -0.352 108.423 108.800 -0.042 0.000 2.494 490 G HA2 0.428 4.388 3.960 0.000 0.000 0.270 490 G HA3 0.428 4.388 3.960 0.000 0.000 0.270 490 G C 0.248 175.124 174.900 -0.041 0.000 1.423 490 G CA -0.653 44.436 45.100 -0.019 0.000 1.055 490 G HN 0.496 nan 8.290 nan 0.000 0.536 491 L N -0.448 120.764 121.223 -0.018 0.000 2.240 491 L HA 0.209 4.549 4.340 0.000 0.000 0.211 491 L C 1.190 178.050 176.870 -0.016 0.000 1.106 491 L CA 0.996 55.827 54.840 -0.017 0.000 0.793 491 L CB -0.551 41.507 42.059 -0.001 0.000 0.927 491 L HN 0.467 nan 8.230 nan 0.000 0.446 492 E N -0.585 119.609 120.200 -0.009 0.000 2.182 492 E HA 0.528 4.878 4.350 0.000 0.000 0.258 492 E C -1.165 175.434 176.600 -0.002 0.000 0.879 492 E CA -0.329 56.071 56.400 0.001 0.000 0.754 492 E CB 2.102 31.811 29.700 0.016 0.000 1.162 492 E HN -0.149 nan 8.360 nan 0.000 0.419 493 V N 1.704 121.604 119.914 -0.024 0.000 2.960 493 V HA 0.509 4.629 4.120 0.000 0.000 0.315 493 V C -0.341 175.766 176.094 0.022 0.000 1.087 493 V CA -1.194 61.080 62.300 -0.044 0.000 0.982 493 V CB 2.163 33.857 31.823 -0.216 0.000 1.039 493 V HN 0.560 nan 8.190 nan 0.000 0.437 494 N N 2.050 120.789 118.700 0.066 0.000 2.540 494 N HA 0.595 5.335 4.740 0.000 0.000 0.275 494 N C -1.266 174.277 175.510 0.055 0.000 1.053 494 N CA -0.161 52.957 53.050 0.113 0.000 0.876 494 N CB 1.869 40.437 38.487 0.135 0.000 1.284 494 N HN 0.649 nan 8.380 nan 0.000 0.518 495 I N 1.139 121.696 120.570 -0.021 0.000 2.354 495 I HA 0.361 4.531 4.170 0.000 0.000 0.292 495 I C 0.094 176.154 176.117 -0.096 0.000 0.989 495 I CA -1.169 60.101 61.300 -0.049 0.000 1.188 495 I CB 2.092 40.041 38.000 -0.084 0.000 1.342 495 I HN 0.045 nan 8.210 nan 0.000 0.457 496 V N 5.658 125.489 119.914 -0.138 0.000 2.350 496 V HA 0.542 4.662 4.120 0.000 0.000 0.285 496 V C -0.345 175.718 176.094 -0.051 0.000 1.014 496 V CA 0.169 62.370 62.300 -0.165 0.000 0.831 496 V CB 1.622 33.241 31.823 -0.341 0.000 1.000 496 V HN 0.862 nan 8.190 nan 0.000 0.433 497 T N 3.320 117.864 114.554 -0.017 0.000 2.950 497 T HA 0.462 4.812 4.350 0.000 0.000 0.288 497 T C 0.336 174.993 174.700 -0.072 0.000 1.035 497 T CA 0.127 62.242 62.100 0.026 0.000 1.028 497 T CB 1.699 70.621 68.868 0.090 0.000 1.109 497 T HN 0.922 nan 8.240 nan 0.000 0.514 498 D N 0.774 121.145 120.400 -0.049 0.000 2.440 498 D HA 0.134 4.774 4.640 0.000 0.000 0.216 498 D C 0.264 176.685 176.300 0.201 0.000 1.150 498 D CA -0.250 53.640 54.000 -0.184 0.000 0.832 498 D CB 0.087 40.783 40.800 -0.175 0.000 0.992 498 D HN 0.266 nan 8.370 nan 0.000 0.502 499 S N 0.211 116.100 115.700 0.314 0.000 2.429 499 S HA 0.175 4.645 4.470 0.000 0.000 0.302 499 S C 1.031 175.848 174.600 0.362 0.000 1.115 499 S CA -0.465 57.939 58.200 0.340 0.000 1.095 499 S CB 1.638 64.982 63.200 0.241 0.000 0.987 499 S HN 0.080 nan 8.310 nan 0.000 0.474 500 Q N 3.392 123.340 119.800 0.246 0.000 2.020 500 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 500 Q C 1.355 177.357 176.000 0.004 0.000 0.974 500 Q CA 1.425 57.197 55.803 -0.052 0.000 0.829 500 Q CB -0.429 28.234 28.738 -0.125 0.000 0.894 500 Q HN 0.970 nan 8.270 nan 0.000 0.433 501 Y N 1.820 122.118 120.300 -0.003 0.000 2.030 501 Y HA -0.380 4.170 4.550 -0.000 0.000 0.272 501 Y C 2.290 178.198 175.900 0.014 0.000 1.185 501 Y CA 1.956 60.064 58.100 0.012 0.000 1.120 501 Y CB -0.705 37.778 38.460 0.038 0.000 0.955 501 Y HN 0.097 nan 8.280 nan 0.000 0.495 502 A N 0.293 123.018 122.820 -0.159 0.000 1.858 502 A HA -0.204 4.116 4.320 0.000 0.000 0.216 502 A C 2.296 179.779 177.584 -0.168 0.000 1.190 502 A CA 1.894 53.796 52.037 -0.226 0.000 0.617 502 A CB -1.454 17.561 19.000 0.026 0.000 0.827 502 A HN 0.661 nan 8.150 nan 0.000 0.443 503 L N 0.169 121.355 121.223 -0.061 0.000 2.042 503 L HA -0.070 4.270 4.340 0.000 0.000 0.210 503 L C 2.346 179.162 176.870 -0.090 0.000 1.076 503 L CA 2.510 57.321 54.840 -0.048 0.000 0.749 503 L CB -0.941 41.115 42.059 -0.005 0.000 0.893 503 L HN 0.304 nan 8.230 nan 0.000 0.432 504 G N -0.067 108.648 108.800 -0.141 0.000 2.440 504 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 504 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 504 G C 1.590 176.459 174.900 -0.053 0.000 1.154 504 G CA 1.292 46.309 45.100 -0.139 0.000 0.767 504 G HN 0.507 nan 8.290 nan 0.000 0.552 505 I N 0.531 121.006 120.570 -0.159 0.000 2.142 505 I HA -0.134 4.036 4.170 0.000 0.000 0.240 505 I C 2.664 178.777 176.117 -0.006 0.000 1.078 505 I CA 0.967 62.177 61.300 -0.150 0.000 1.343 505 I CB -0.250 37.485 38.000 -0.442 0.000 1.046 505 I HN 0.143 nan 8.210 nan 0.000 0.405 506 I N 0.211 120.775 120.570 -0.010 0.000 2.361 506 I HA -0.285 3.885 4.170 0.000 0.000 0.251 506 I C 2.497 178.739 176.117 0.209 0.000 1.133 506 I CA 1.269 62.630 61.300 0.101 0.000 1.413 506 I CB -0.443 37.584 38.000 0.044 0.000 1.073 506 I HN 0.318 nan 8.210 nan 0.000 0.424 507 Q N 0.614 120.524 119.800 0.183 0.000 2.226 507 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 507 Q C 2.126 178.419 176.000 0.489 0.000 0.975 507 Q CA 1.340 57.309 55.803 0.277 0.000 0.866 507 Q CB -0.108 28.719 28.738 0.150 0.000 0.915 507 Q HN 0.572 nan 8.270 nan 0.000 0.440 508 A N 0.332 123.461 122.820 0.514 0.000 2.259 508 A HA -0.050 4.270 4.320 0.000 0.000 0.208 508 A C 0.064 177.825 177.584 0.295 0.000 1.201 508 A CA -0.021 52.319 52.037 0.506 0.000 0.824 508 A CB -0.088 19.215 19.000 0.507 0.000 0.838 508 A HN 0.386 nan 8.150 nan 0.000 0.485 509 Q N -1.389 118.541 119.800 0.217 0.000 2.437 509 Q HA -0.153 4.187 4.340 0.000 0.000 0.354 509 Q C -2.381 173.595 176.000 -0.041 0.000 1.402 509 Q CA 0.217 55.998 55.803 -0.037 0.000 1.020 509 Q CB -1.630 26.984 28.738 -0.207 0.000 1.220 509 Q HN 0.459 nan 8.270 nan 0.000 0.368 510 P HA 0.013 nan 4.420 nan 0.000 0.275 510 P C -0.020 177.373 177.300 0.154 0.000 1.228 510 P CA 0.018 63.196 63.100 0.131 0.000 0.786 510 P CB 0.648 32.444 31.700 0.161 0.000 0.927 511 D N -0.549 119.919 120.400 0.114 0.000 2.469 511 D HA 0.103 4.743 4.640 0.000 0.000 0.213 511 D C -0.165 176.163 176.300 0.048 0.000 1.135 511 D CA 0.114 54.181 54.000 0.112 0.000 0.834 511 D CB 0.280 41.198 40.800 0.198 0.000 1.009 511 D HN 0.318 nan 8.370 nan 0.000 0.507 512 E N -0.731 119.511 120.200 0.069 0.000 2.413 512 E HA 0.597 4.947 4.350 0.000 0.000 0.277 512 E C -1.451 175.202 176.600 0.089 0.000 0.958 512 E CA -1.043 55.387 56.400 0.050 0.000 0.779 512 E CB 2.305 32.032 29.700 0.046 0.000 1.278 512 E HN -0.007 nan 8.360 nan 0.000 0.456 513 S N -0.054 115.691 115.700 0.075 0.000 2.611 513 S HA 0.170 4.640 4.470 0.000 0.000 0.268 513 S C -0.393 174.246 174.600 0.066 0.000 1.156 513 S CA -0.507 57.771 58.200 0.130 0.000 0.817 513 S CB 1.572 64.912 63.200 0.233 0.000 1.122 513 S HN 0.586 nan 8.310 nan 0.000 0.466 514 E N 0.736 120.957 120.200 0.036 0.000 2.285 514 E HA 0.048 4.398 4.350 0.000 0.000 0.194 514 E C 0.255 176.874 176.600 0.033 0.000 0.997 514 E CA 0.417 56.821 56.400 0.007 0.000 0.845 514 E CB 0.214 29.893 29.700 -0.035 0.000 0.782 514 E HN 0.417 nan 8.360 nan 0.000 0.491 515 S N 0.526 116.277 115.700 0.086 0.000 2.457 515 S HA 0.071 4.541 4.470 0.000 0.000 0.289 515 S C 0.688 175.314 174.600 0.043 0.000 1.163 515 S CA -0.513 57.740 58.200 0.089 0.000 1.078 515 S CB 1.532 64.837 63.200 0.174 0.000 0.987 515 S HN 0.003 nan 8.310 nan 0.000 0.482 516 E N 3.947 124.151 120.200 0.006 0.000 2.153 516 E HA -0.080 4.270 4.350 0.000 0.000 0.194 516 E C 1.635 178.181 176.600 -0.089 0.000 0.988 516 E CA 1.262 57.641 56.400 -0.035 0.000 0.811 516 E CB -0.214 29.468 29.700 -0.031 0.000 0.746 516 E HN 0.821 nan 8.360 nan 0.000 0.466 517 L N -0.644 120.530 121.223 -0.082 0.000 2.017 517 L HA -0.179 4.161 4.340 0.000 0.000 0.208 517 L C 2.129 178.877 176.870 -0.204 0.000 1.073 517 L CA 1.082 55.823 54.840 -0.165 0.000 0.745 517 L CB -0.158 41.859 42.059 -0.070 0.000 0.894 517 L HN 0.106 nan 8.230 nan 0.000 0.432 518 V N -0.001 119.858 119.914 -0.091 0.000 2.407 518 V HA -0.263 3.857 4.120 0.000 0.000 0.248 518 V C 2.196 178.237 176.094 -0.088 0.000 1.055 518 V CA 1.664 63.910 62.300 -0.090 0.000 1.049 518 V CB -0.827 30.966 31.823 -0.050 0.000 0.662 518 V HN 0.502 nan 8.190 nan 0.000 0.455 519 N N 0.893 119.550 118.700 -0.071 0.000 2.166 519 N HA -0.189 4.551 4.740 0.000 0.000 0.186 519 N C 1.983 177.422 175.510 -0.119 0.000 1.019 519 N CA 1.732 54.741 53.050 -0.069 0.000 0.856 519 N CB -0.278 38.175 38.487 -0.057 0.000 0.993 519 N HN 0.772 nan 8.380 nan 0.000 0.426 520 Q N -0.220 119.456 119.800 -0.207 0.000 2.389 520 Q HA 0.103 4.443 4.340 0.000 0.000 0.204 520 Q C 1.811 177.673 176.000 -0.231 0.000 0.944 520 Q CA 0.546 56.201 55.803 -0.246 0.000 0.908 520 Q CB -0.097 28.434 28.738 -0.345 0.000 1.002 520 Q HN 0.363 nan 8.270 nan 0.000 0.493 521 I N 0.816 121.231 120.570 -0.259 0.000 2.439 521 I HA -0.186 3.984 4.170 0.000 0.000 0.251 521 I C 2.114 178.164 176.117 -0.110 0.000 1.139 521 I CA 0.821 62.055 61.300 -0.111 0.000 1.438 521 I CB -0.114 37.822 38.000 -0.106 0.000 1.085 521 I HN 0.156 nan 8.210 nan 0.000 0.427 522 I N 0.676 121.181 120.570 -0.108 0.000 2.233 522 I HA -0.266 3.904 4.170 0.000 0.000 0.243 522 I C 2.621 178.672 176.117 -0.110 0.000 1.093 522 I CA 1.333 62.579 61.300 -0.091 0.000 1.380 522 I CB -0.381 37.633 38.000 0.023 0.000 1.067 522 I HN 0.230 nan 8.210 nan 0.000 0.413 523 E N 0.697 120.845 120.200 -0.087 0.000 2.130 523 E HA -0.344 4.006 4.350 0.000 0.000 0.196 523 E C 2.141 178.706 176.600 -0.058 0.000 0.998 523 E CA 1.611 57.964 56.400 -0.079 0.000 0.806 523 E CB 0.069 29.732 29.700 -0.062 0.000 0.738 523 E HN 0.358 nan 8.360 nan 0.000 0.459 524 Q N 0.270 120.045 119.800 -0.041 0.000 2.049 524 Q HA -0.050 4.290 4.340 0.000 0.000 0.198 524 Q C 2.178 178.113 176.000 -0.109 0.000 0.971 524 Q CA 1.181 56.964 55.803 -0.035 0.000 0.833 524 Q CB -0.097 28.664 28.738 0.037 0.000 0.896 524 Q HN 0.354 nan 8.270 nan 0.000 0.434 525 L N -0.112 120.980 121.223 -0.218 0.000 2.131 525 L HA -0.162 4.178 4.340 0.000 0.000 0.210 525 L C 2.080 178.813 176.870 -0.229 0.000 1.092 525 L CA 0.876 55.497 54.840 -0.365 0.000 0.759 525 L CB -0.366 41.171 42.059 -0.871 0.000 0.903 525 L HN 0.297 nan 8.230 nan 0.000 0.435 526 I N -0.688 119.817 120.570 -0.107 0.000 2.353 526 I HA -0.238 3.932 4.170 0.000 0.000 0.248 526 I C 2.358 178.509 176.117 0.056 0.000 1.119 526 I CA 1.169 62.516 61.300 0.079 0.000 1.417 526 I CB -0.296 37.750 38.000 0.077 0.000 1.078 526 I HN 0.149 nan 8.210 nan 0.000 0.421 527 K N 0.761 121.160 120.400 -0.001 0.000 2.362 527 K HA -0.040 4.280 4.320 0.000 0.000 0.200 527 K C 0.730 177.329 176.600 -0.002 0.000 1.046 527 K CA 0.588 56.875 56.287 0.001 0.000 0.952 527 K CB 0.144 32.634 32.500 -0.016 0.000 0.753 527 K HN 0.171 nan 8.250 nan 0.000 0.466 528 K N 0.545 120.934 120.400 -0.018 0.000 2.118 528 K HA 0.032 4.352 4.320 0.000 0.000 0.240 528 K C 0.850 177.460 176.600 0.017 0.000 1.035 528 K CA 0.290 56.566 56.287 -0.019 0.000 0.899 528 K CB 0.900 33.370 32.500 -0.051 0.000 1.085 528 K HN 0.022 nan 8.250 nan 0.000 0.498 529 E N 0.380 120.589 120.200 0.016 0.000 2.288 529 E HA 0.059 4.409 4.350 0.000 0.000 0.200 529 E C -0.484 176.141 176.600 0.041 0.000 0.880 529 E CA 0.483 56.903 56.400 0.032 0.000 0.971 529 E CB 0.662 30.376 29.700 0.023 0.000 0.954 529 E HN 0.265 nan 8.360 nan 0.000 0.489 530 K N 0.661 121.080 120.400 0.032 0.000 2.565 530 K HA 0.415 4.735 4.320 0.000 0.000 0.249 530 K C -1.730 174.895 176.600 0.041 0.000 0.958 530 K CA -0.452 55.863 56.287 0.047 0.000 0.806 530 K CB 2.968 35.494 32.500 0.042 0.000 1.194 530 K HN -0.155 nan 8.250 nan 0.000 0.434 531 V N 3.168 123.118 119.914 0.061 0.000 2.588 531 V HA 0.362 4.482 4.120 0.000 0.000 0.304 531 V C -1.468 174.699 176.094 0.122 0.000 1.042 531 V CA -0.934 61.393 62.300 0.045 0.000 0.877 531 V CB 1.528 33.342 31.823 -0.016 0.000 0.996 531 V HN 0.690 nan 8.190 nan 0.000 0.425 532 Y N 5.622 125.915 120.300 -0.011 0.000 2.326 532 Y HA 0.768 5.318 4.550 -0.000 0.000 0.331 532 Y C -1.119 174.778 175.900 -0.006 0.000 0.962 532 Y CA -1.002 57.100 58.100 0.003 0.000 1.167 532 Y CB 1.664 40.124 38.460 -0.000 0.000 1.148 532 Y HN 0.613 nan 8.280 nan 0.000 0.463 533 L N 5.910 126.812 121.223 -0.534 0.000 2.329 533 L HA 0.966 5.306 4.340 0.000 0.000 0.279 533 L C -1.098 175.407 176.870 -0.608 0.000 1.014 533 L CA -0.369 54.221 54.840 -0.417 0.000 0.814 533 L CB 1.402 43.350 42.059 -0.186 0.000 1.257 533 L HN 0.770 nan 8.230 nan 0.000 0.424 534 A N 3.523 126.128 122.820 -0.358 0.000 2.566 534 A HA 0.725 5.045 4.320 0.000 0.000 0.292 534 A C -2.240 175.359 177.584 0.024 0.000 1.112 534 A CA -0.565 51.354 52.037 -0.196 0.000 0.707 534 A CB 0.908 19.818 19.000 -0.149 0.000 1.302 534 A HN 0.777 nan 8.150 nan 0.000 0.409 535 W N 0.806 122.050 121.300 -0.093 0.000 2.689 535 W HA 0.636 5.296 4.660 0.000 0.000 0.340 535 W C -1.031 175.480 176.519 -0.013 0.000 1.060 535 W CA -0.306 57.008 57.345 -0.051 0.000 1.218 535 W CB 2.034 31.457 29.460 -0.062 0.000 1.410 535 W HN 0.946 nan 8.180 nan 0.000 0.528 536 V N 2.522 121.754 119.914 -1.137 0.000 2.971 536 V HA 0.632 4.752 4.120 0.000 0.000 0.309 536 V C -2.838 172.350 176.094 -1.510 0.000 1.130 536 V CA -3.000 58.688 62.300 -1.019 0.000 0.964 536 V CB 1.622 33.200 31.823 -0.408 0.000 1.029 536 V HN 0.466 nan 8.190 nan 0.000 0.427 537 P HA 0.329 nan 4.420 nan 0.000 0.271 537 P C 0.859 177.946 177.300 -0.356 0.000 1.233 537 P CA 0.717 63.470 63.100 -0.579 0.000 0.764 537 P CB 1.262 32.827 31.700 -0.226 0.000 0.825 538 A N 4.949 127.582 122.820 -0.311 0.000 2.007 538 A HA -0.252 4.068 4.320 0.000 0.000 0.214 538 A C 1.086 178.494 177.584 -0.293 0.000 1.302 538 A CA 1.664 53.493 52.037 -0.347 0.000 0.770 538 A CB -1.772 16.930 19.000 -0.497 0.000 0.831 538 A HN 0.608 nan 8.150 nan 0.000 0.491 539 H N 0.244 119.302 119.070 -0.020 0.000 2.930 539 H HA 0.403 4.959 4.556 0.000 0.000 0.307 539 H C -0.091 175.224 175.328 -0.022 0.000 1.247 539 H CA 0.231 56.269 56.048 -0.017 0.000 1.181 539 H CB -0.647 29.113 29.762 -0.003 0.000 1.390 539 H HN 0.285 nan 8.280 nan 0.000 0.549 540 K N -0.377 120.039 120.400 0.027 0.000 2.240 540 K HA 0.426 4.746 4.320 0.000 0.000 0.237 540 K C 1.420 178.024 176.600 0.007 0.000 1.027 540 K CA -0.426 55.865 56.287 0.008 0.000 0.937 540 K CB 0.636 33.118 32.500 -0.030 0.000 1.171 540 K HN 0.232 nan 8.250 nan 0.000 0.479 541 G N 0.603 109.401 108.800 -0.004 0.000 3.562 541 G HA2 0.168 4.128 3.960 0.000 0.000 0.279 541 G HA3 0.168 4.128 3.960 0.000 0.000 0.279 541 G C -0.325 174.560 174.900 -0.025 0.000 1.314 541 G CA -0.211 44.882 45.100 -0.011 0.000 1.189 541 G HN 0.374 nan 8.290 nan 0.000 0.562 542 I N 2.295 122.847 120.570 -0.030 0.000 2.471 542 I HA 0.138 4.308 4.170 0.000 0.000 0.294 542 I C 1.398 177.473 176.117 -0.069 0.000 1.123 542 I CA -0.108 61.173 61.300 -0.032 0.000 1.336 542 I CB 0.463 38.449 38.000 -0.025 0.000 1.430 542 I HN 0.100 nan 8.210 nan 0.000 0.533 543 G N 4.210 112.958 108.800 -0.086 0.000 2.298 543 G HA2 0.391 4.351 3.960 0.000 0.000 0.263 543 G HA3 0.391 4.351 3.960 0.000 0.000 0.263 543 G C 0.840 175.537 174.900 -0.339 0.000 1.229 543 G CA 0.458 45.464 45.100 -0.156 0.000 0.976 543 G HN 1.004 nan 8.290 nan 0.000 0.459 544 G N 2.762 111.274 108.800 -0.479 0.000 3.426 544 G HA2 -0.282 3.678 3.960 0.000 0.000 0.196 544 G HA3 -0.282 3.678 3.960 0.000 0.000 0.196 544 G C 1.283 175.828 174.900 -0.592 0.000 1.763 544 G CA 0.669 45.100 45.100 -1.114 0.000 1.210 544 G HN 0.788 nan 8.290 nan 0.000 0.472 545 N N 1.182 119.752 118.700 -0.217 0.000 2.080 545 N HA -0.035 4.705 4.740 0.000 0.000 0.189 545 N C 1.886 177.381 175.510 -0.025 0.000 1.036 545 N CA 2.237 55.301 53.050 0.023 0.000 0.846 545 N CB -0.232 38.283 38.487 0.047 0.000 1.015 545 N HN 0.568 nan 8.380 nan 0.000 0.423 546 E N -0.454 119.712 120.200 -0.056 0.000 2.130 546 E HA -0.287 4.063 4.350 0.000 0.000 0.196 546 E C 1.688 178.264 176.600 -0.040 0.000 0.998 546 E CA 1.267 57.647 56.400 -0.032 0.000 0.806 546 E CB 0.012 29.687 29.700 -0.041 0.000 0.738 546 E HN 0.536 nan 8.360 nan 0.000 0.459 547 Q N -0.193 119.559 119.800 -0.079 0.000 2.050 547 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 547 Q C 2.472 178.450 176.000 -0.037 0.000 0.980 547 Q CA 1.676 57.437 55.803 -0.072 0.000 0.840 547 Q CB -0.454 28.215 28.738 -0.115 0.000 0.898 547 Q HN 0.342 nan 8.270 nan 0.000 0.424 548 V N 0.981 120.887 119.914 -0.014 0.000 2.626 548 V HA -0.195 3.925 4.120 0.000 0.000 0.252 548 V C 1.895 178.007 176.094 0.031 0.000 1.067 548 V CA 1.866 64.181 62.300 0.025 0.000 1.081 548 V CB -0.827 31.047 31.823 0.085 0.000 0.686 548 V HN 0.228 nan 8.190 nan 0.000 0.468 549 D N 0.460 120.880 120.400 0.033 0.000 2.097 549 D HA -0.196 4.444 4.640 0.000 0.000 0.195 549 D C 2.239 178.550 176.300 0.019 0.000 0.989 549 D CA 1.466 55.494 54.000 0.046 0.000 0.827 549 D CB -0.091 40.751 40.800 0.069 0.000 0.966 549 D HN 0.345 nan 8.370 nan 0.000 0.456 550 K N -0.265 120.134 120.400 -0.001 0.000 2.026 550 K HA -0.093 4.227 4.320 0.000 0.000 0.208 550 K C 2.274 178.867 176.600 -0.013 0.000 1.048 550 K CA 0.875 57.154 56.287 -0.015 0.000 0.929 550 K CB -0.168 32.317 32.500 -0.024 0.000 0.713 550 K HN 0.206 nan 8.250 nan 0.000 0.439 551 L N 0.849 122.064 121.223 -0.014 0.000 2.079 551 L HA -0.166 4.174 4.340 0.000 0.000 0.210 551 L C 2.049 178.914 176.870 -0.010 0.000 1.081 551 L CA 1.052 55.881 54.840 -0.018 0.000 0.752 551 L CB -0.495 41.547 42.059 -0.027 0.000 0.896 551 L HN 0.155 nan 8.230 nan 0.000 0.433 552 V N -4.848 115.069 119.914 0.005 0.000 3.620 552 V HA 0.160 4.280 4.120 0.000 0.000 0.286 552 V C 0.585 176.687 176.094 0.013 0.000 1.288 552 V CA -0.243 62.066 62.300 0.014 0.000 1.178 552 V CB -0.368 31.475 31.823 0.034 0.000 0.986 552 V HN 0.200 nan 8.190 nan 0.000 0.431 553 S N 1.509 117.211 115.700 0.003 0.000 2.438 553 S HA 0.923 5.393 4.470 0.000 0.000 0.316 553 S C 0.002 174.598 174.600 -0.007 0.000 1.084 553 S CA 0.259 58.458 58.200 -0.002 0.000 1.107 553 S CB 1.423 64.616 63.200 -0.010 0.000 0.981 553 S HN 1.115 nan 8.310 nan 0.000 0.466 554 A N 0.000 122.818 122.820 -0.004 0.000 2.254 554 A HA 0.000 4.320 4.320 0.000 0.000 0.244 554 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 554 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486