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 1lw2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAXXXXXXXX XRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLYTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDXXXXXXX DATA SEQUENCE XXXXAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.335 177.300 0.058 0.000 1.155 1 P CA 0.000 63.139 63.100 0.064 0.000 0.800 1 P CB 0.000 31.742 31.700 0.070 0.000 0.726 2 I N -1.295 119.307 120.570 0.053 0.000 2.304 2 I HA 0.833 5.016 4.170 0.022 0.000 0.291 2 I C -0.174 175.977 176.117 0.057 0.000 1.018 2 I CA -0.319 61.008 61.300 0.044 0.000 1.260 2 I CB 1.815 39.831 38.000 0.028 0.000 1.390 2 I HN 0.207 nan 8.210 nan 0.000 0.475 3 S N 5.428 121.164 115.700 0.061 0.000 2.550 3 S HA 0.651 5.135 4.470 0.022 0.000 0.270 3 S C -2.101 172.548 174.600 0.081 0.000 1.145 3 S CA -0.801 57.450 58.200 0.085 0.000 0.852 3 S CB 1.718 64.991 63.200 0.120 0.000 1.119 3 S HN 0.696 nan 8.310 nan 0.000 0.465 4 P HA 0.325 nan 4.420 nan 0.000 0.249 4 P C -0.264 177.184 177.300 0.246 0.000 1.229 4 P CA 0.175 63.331 63.100 0.093 0.000 0.788 4 P CB -0.115 31.520 31.700 -0.109 0.000 1.072 5 I N 1.096 121.816 120.570 0.249 0.000 2.312 5 I HA 0.186 4.369 4.170 0.022 0.000 0.291 5 I C 0.777 176.966 176.117 0.119 0.000 1.031 5 I CA -0.864 60.558 61.300 0.203 0.000 1.293 5 I CB 0.793 38.889 38.000 0.160 0.000 1.403 5 I HN -0.096 nan 8.210 nan 0.000 0.484 6 E N 5.455 125.714 120.200 0.099 0.000 2.415 6 E HA 0.057 4.420 4.350 0.022 0.000 0.263 6 E C -0.107 176.522 176.600 0.048 0.000 0.995 6 E CA -0.360 56.080 56.400 0.066 0.000 0.915 6 E CB 0.764 30.498 29.700 0.056 0.000 0.951 6 E HN 0.677 nan 8.360 nan 0.000 0.449 7 T N 0.444 115.027 114.554 0.048 0.000 2.909 7 T HA 0.335 4.698 4.350 0.022 0.000 0.289 7 T C 0.000 174.720 174.700 0.033 0.000 1.005 7 T CA -1.022 61.103 62.100 0.042 0.000 1.084 7 T CB 1.321 70.221 68.868 0.054 0.000 0.975 7 T HN 0.171 nan 8.240 nan 0.000 0.509 8 V N 5.184 125.112 119.914 0.023 0.000 2.432 8 V HA 0.333 4.466 4.120 0.022 0.000 0.271 8 V C -1.697 174.421 176.094 0.041 0.000 1.046 8 V CA -1.815 60.499 62.300 0.023 0.000 0.945 8 V CB 0.525 32.350 31.823 0.004 0.000 0.992 8 V HN 0.857 nan 8.190 nan 0.000 0.471 9 P HA 0.187 nan 4.420 nan 0.000 0.271 9 P C -0.765 176.569 177.300 0.056 0.000 1.226 9 P CA 0.182 63.318 63.100 0.061 0.000 0.765 9 P CB 1.234 32.968 31.700 0.057 0.000 0.835 10 V N 4.781 124.713 119.914 0.030 0.000 2.715 10 V HA 0.520 4.653 4.120 0.022 0.000 0.310 10 V C 0.328 176.444 176.094 0.038 0.000 1.054 10 V CA -0.562 61.691 62.300 -0.078 0.000 0.928 10 V CB 2.151 33.674 31.823 -0.499 0.000 1.007 10 V HN 0.507 nan 8.190 nan 0.000 0.437 11 K N 2.629 123.051 120.400 0.036 0.000 2.508 11 K HA 0.676 5.009 4.320 0.022 0.000 0.260 11 K C -1.551 175.125 176.600 0.128 0.000 0.949 11 K CA -0.840 55.546 56.287 0.165 0.000 0.834 11 K CB 2.595 35.147 32.500 0.087 0.000 1.365 11 K HN 0.419 nan 8.250 nan 0.000 0.437 12 L N 1.997 123.289 121.223 0.115 0.000 2.418 12 L HA 0.306 4.659 4.340 0.022 0.000 0.265 12 L C 0.231 177.087 176.870 -0.022 0.000 1.143 12 L CA -0.589 54.265 54.840 0.024 0.000 0.809 12 L CB 0.351 42.315 42.059 -0.158 0.000 1.124 12 L HN 0.373 nan 8.230 nan 0.000 0.456 13 K N 2.917 123.295 120.400 -0.036 0.000 2.550 13 K HA -0.008 4.325 4.320 0.022 0.000 0.280 13 K C -2.125 174.459 176.600 -0.026 0.000 0.987 13 K CA -1.022 55.239 56.287 -0.043 0.000 1.048 13 K CB -0.290 32.187 32.500 -0.037 0.000 0.879 13 K HN 0.363 nan 8.250 nan 0.000 0.491 14 P HA -0.205 nan 4.420 nan 0.000 0.264 14 P C 0.832 178.133 177.300 0.000 0.000 1.173 14 P CA 1.101 64.198 63.100 -0.006 0.000 0.761 14 P CB 0.655 32.351 31.700 -0.007 0.000 0.794 15 G N 2.456 111.262 108.800 0.010 0.000 2.779 15 G HA2 -0.322 3.651 3.960 0.022 0.000 0.230 15 G HA3 -0.322 3.651 3.960 0.022 0.000 0.230 15 G C 0.513 175.425 174.900 0.019 0.000 1.243 15 G CA 0.481 45.591 45.100 0.017 0.000 0.769 15 G HN 0.535 nan 8.290 nan 0.000 0.516 16 M N 1.234 120.838 119.600 0.007 0.000 2.245 16 M HA 0.415 4.908 4.480 0.022 0.000 0.312 16 M C 0.318 176.615 176.300 -0.005 0.000 1.070 16 M CA 0.850 56.153 55.300 0.004 0.000 1.162 16 M CB 0.485 33.079 32.600 -0.010 0.000 1.448 16 M HN 0.496 nan 8.290 nan 0.000 0.446 17 D N 0.140 120.549 120.400 0.014 0.000 2.533 17 D HA 0.545 5.198 4.640 0.022 0.000 0.247 17 D C -0.251 176.043 176.300 -0.010 0.000 1.056 17 D CA -0.330 53.695 54.000 0.042 0.000 1.054 17 D CB 1.351 42.255 40.800 0.172 0.000 1.400 17 D HN 0.649 nan 8.370 nan 0.000 0.533 18 G N 0.427 109.211 108.800 -0.028 0.000 2.630 18 G HA2 0.284 4.258 3.960 0.022 0.000 0.236 18 G HA3 0.284 4.258 3.960 0.022 0.000 0.236 18 G C -2.125 172.879 174.900 0.174 0.000 1.248 18 G CA -0.794 44.172 45.100 -0.224 0.000 0.844 18 G HN 0.475 nan 8.290 nan 0.000 0.588 19 P HA 0.232 nan 4.420 nan 0.000 0.276 19 P C -0.741 176.707 177.300 0.247 0.000 1.243 19 P CA -0.115 63.094 63.100 0.181 0.000 0.768 19 P CB 1.063 32.853 31.700 0.150 0.000 0.856 20 K N 2.437 122.951 120.400 0.190 0.000 3.082 20 K HA 0.279 4.612 4.320 0.022 0.000 0.203 20 K C -0.125 176.525 176.600 0.084 0.000 1.177 20 K CA -0.597 55.775 56.287 0.142 0.000 1.041 20 K CB 1.073 33.638 32.500 0.108 0.000 1.312 20 K HN 0.236 nan 8.250 nan 0.000 0.526 21 V N 2.054 122.012 119.914 0.073 0.000 2.509 21 V HA 0.176 4.309 4.120 0.022 0.000 0.284 21 V C -0.052 176.017 176.094 -0.041 0.000 1.047 21 V CA -0.676 61.644 62.300 0.034 0.000 0.952 21 V CB 0.687 32.540 31.823 0.049 0.000 0.988 21 V HN 0.532 nan 8.190 nan 0.000 0.469 22 K N 4.742 125.110 120.400 -0.054 0.000 2.440 22 K HA 0.166 4.499 4.320 0.022 0.000 0.270 22 K C -0.324 176.056 176.600 -0.367 0.000 0.980 22 K CA -0.111 56.104 56.287 -0.121 0.000 0.953 22 K CB 0.456 32.936 32.500 -0.034 0.000 0.925 22 K HN 0.683 nan 8.250 nan 0.000 0.497 23 Q N 3.069 122.680 119.800 -0.316 0.000 2.290 23 Q HA 0.172 4.525 4.340 0.022 0.000 0.259 23 Q C -1.498 174.324 176.000 -0.298 0.000 0.941 23 Q CA -0.525 55.011 55.803 -0.444 0.000 0.912 23 Q CB 0.849 29.476 28.738 -0.186 0.000 1.244 23 Q HN 0.650 nan 8.270 nan 0.000 0.441 24 W N 6.343 127.679 121.300 0.059 0.000 2.365 24 W HA 0.319 4.992 4.660 0.022 0.000 0.371 24 W C -2.071 174.470 176.519 0.037 0.000 1.006 24 W CA -2.440 54.925 57.345 0.033 0.000 1.528 24 W CB -0.627 28.836 29.460 0.006 0.000 1.497 24 W HN 0.569 nan 8.180 nan 0.000 0.367 25 P HA -0.147 nan 4.420 nan 0.000 0.271 25 P C -0.212 177.174 177.300 0.144 0.000 1.179 25 P CA 1.012 64.188 63.100 0.127 0.000 0.766 25 P CB 0.622 32.378 31.700 0.093 0.000 0.789 26 L N -0.135 121.156 121.223 0.113 0.000 2.309 26 L HA 0.550 4.904 4.340 0.022 0.000 0.261 26 L C 0.955 177.869 176.870 0.072 0.000 1.021 26 L CA -0.969 53.934 54.840 0.105 0.000 0.823 26 L CB 1.562 43.694 42.059 0.122 0.000 1.366 26 L HN 0.298 nan 8.230 nan 0.000 0.423 27 T N -1.816 112.774 114.554 0.061 0.000 2.734 27 T HA 0.015 4.378 4.350 0.022 0.000 0.314 27 T C 0.844 175.570 174.700 0.044 0.000 1.057 27 T CA 0.110 62.237 62.100 0.044 0.000 1.047 27 T CB 0.697 69.586 68.868 0.035 0.000 0.991 27 T HN 0.674 nan 8.240 nan 0.000 0.540 28 E N 0.000 120.221 120.200 0.034 0.000 2.358 28 E HA 0.036 4.399 4.350 0.022 0.000 0.195 28 E C 1.935 178.554 176.600 0.031 0.000 1.010 28 E CA 0.617 57.036 56.400 0.032 0.000 0.856 28 E CB -0.141 29.574 29.700 0.025 0.000 0.795 28 E HN 0.807 nan 8.360 nan 0.000 0.504 29 E N 0.808 121.027 120.200 0.030 0.000 2.028 29 E HA -0.195 4.168 4.350 0.022 0.000 0.191 29 E C 1.435 178.056 176.600 0.035 0.000 0.988 29 E CA 0.910 57.326 56.400 0.028 0.000 0.799 29 E CB 0.190 29.905 29.700 0.025 0.000 0.755 29 E HN -0.016 nan 8.360 nan 0.000 0.447 30 K N 0.768 121.195 120.400 0.045 0.000 2.009 30 K HA -0.142 4.191 4.320 0.022 0.000 0.210 30 K C 2.357 178.991 176.600 0.057 0.000 1.049 30 K CA 1.094 57.416 56.287 0.060 0.000 0.929 30 K CB -0.627 31.923 32.500 0.082 0.000 0.714 30 K HN 0.315 nan 8.250 nan 0.000 0.440 31 I N 1.566 122.170 120.570 0.056 0.000 2.113 31 I HA -0.369 3.814 4.170 0.022 0.000 0.242 31 I C 2.379 178.522 176.117 0.042 0.000 1.064 31 I CA 1.657 62.989 61.300 0.053 0.000 1.320 31 I CB -0.340 37.690 38.000 0.050 0.000 1.028 31 I HN 0.243 nan 8.210 nan 0.000 0.406 32 K N 0.906 121.327 120.400 0.035 0.000 2.020 32 K HA -0.216 4.117 4.320 0.022 0.000 0.212 32 K C 2.270 178.883 176.600 0.022 0.000 1.050 32 K CA 1.738 58.041 56.287 0.027 0.000 0.929 32 K CB -0.484 32.030 32.500 0.022 0.000 0.714 32 K HN 0.348 nan 8.250 nan 0.000 0.443 33 A N 1.708 124.540 122.820 0.021 0.000 1.927 33 A HA -0.216 4.117 4.320 0.022 0.000 0.220 33 A C 2.189 179.775 177.584 0.002 0.000 1.185 33 A CA 1.628 53.672 52.037 0.012 0.000 0.639 33 A CB -0.819 18.192 19.000 0.018 0.000 0.820 33 A HN 0.194 nan 8.150 nan 0.000 0.451 34 L N -0.968 120.261 121.223 0.011 0.000 1.988 34 L HA -0.154 4.200 4.340 0.022 0.000 0.207 34 L C 2.566 179.429 176.870 -0.011 0.000 1.071 34 L CA 1.325 56.163 54.840 -0.005 0.000 0.744 34 L CB -0.878 41.193 42.059 0.019 0.000 0.893 34 L HN 0.257 nan 8.230 nan 0.000 0.433 35 V N 0.259 120.184 119.914 0.019 0.000 2.250 35 V HA -0.414 3.719 4.120 0.022 0.000 0.253 35 V C 2.517 178.627 176.094 0.026 0.000 1.065 35 V CA 2.404 64.728 62.300 0.040 0.000 1.039 35 V CB -0.652 31.203 31.823 0.052 0.000 0.647 35 V HN 0.539 nan 8.190 nan 0.000 0.446 36 E N -0.277 119.930 120.200 0.011 0.000 2.058 36 E HA -0.234 4.129 4.350 0.022 0.000 0.194 36 E C 2.145 178.736 176.600 -0.016 0.000 0.997 36 E CA 2.022 58.423 56.400 0.002 0.000 0.801 36 E CB -0.165 29.533 29.700 -0.003 0.000 0.746 36 E HN 0.659 nan 8.360 nan 0.000 0.450 37 I N 0.345 120.893 120.570 -0.036 0.000 2.142 37 I HA -0.321 3.862 4.170 0.022 0.000 0.240 37 I C 2.679 178.748 176.117 -0.080 0.000 1.078 37 I CA 0.739 61.998 61.300 -0.068 0.000 1.343 37 I CB -0.503 37.446 38.000 -0.086 0.000 1.046 37 I HN 0.301 nan 8.210 nan 0.000 0.405 38 C N 0.594 119.836 119.300 -0.096 0.000 2.403 38 C HA -0.173 4.300 4.460 0.022 0.000 0.282 38 C C 3.048 178.051 174.990 0.021 0.000 1.297 38 C CA 1.611 60.533 59.018 -0.161 0.000 1.785 38 C CB -1.210 26.301 27.740 -0.381 0.000 1.963 38 C HN 0.545 nan 8.230 nan 0.000 0.507 39 T N -0.160 114.429 114.554 0.058 0.000 2.851 39 T HA -0.114 4.250 4.350 0.022 0.000 0.262 39 T C 1.703 176.429 174.700 0.042 0.000 1.043 39 T CA 1.547 63.701 62.100 0.090 0.000 1.140 39 T CB -0.228 68.680 68.868 0.066 0.000 0.872 39 T HN 0.602 nan 8.240 nan 0.000 0.446 40 E N 1.712 121.914 120.200 0.003 0.000 2.049 40 E HA -0.144 4.220 4.350 0.022 0.000 0.198 40 E C 2.096 178.686 176.600 -0.017 0.000 1.007 40 E CA 1.629 58.019 56.400 -0.016 0.000 0.809 40 E CB -0.414 29.260 29.700 -0.043 0.000 0.749 40 E HN 0.444 nan 8.360 nan 0.000 0.450 41 M N -0.007 119.570 119.600 -0.038 0.000 2.144 41 M HA -0.203 4.290 4.480 0.022 0.000 0.260 41 M C 2.451 178.765 176.300 0.022 0.000 1.067 41 M CA 2.094 57.369 55.300 -0.042 0.000 1.095 41 M CB -0.461 32.079 32.600 -0.100 0.000 1.365 41 M HN 0.250 nan 8.290 nan 0.000 0.406 42 E N 0.881 121.126 120.200 0.075 0.000 2.051 42 E HA -0.228 4.135 4.350 0.022 0.000 0.192 42 E C 2.003 178.631 176.600 0.047 0.000 0.991 42 E CA 1.397 57.855 56.400 0.095 0.000 0.799 42 E CB 0.032 29.809 29.700 0.130 0.000 0.748 42 E HN 0.350 nan 8.360 nan 0.000 0.449 43 K N 0.135 120.556 120.400 0.034 0.000 2.063 43 K HA -0.212 4.121 4.320 0.022 0.000 0.208 43 K C 1.789 178.402 176.600 0.022 0.000 1.048 43 K CA 1.832 58.132 56.287 0.021 0.000 0.928 43 K CB 0.031 32.539 32.500 0.013 0.000 0.713 43 K HN 0.052 nan 8.250 nan 0.000 0.442 44 E N -1.415 118.798 120.200 0.022 0.000 2.482 44 E HA 0.017 4.380 4.350 0.022 0.000 0.196 44 E C 0.879 177.509 176.600 0.050 0.000 1.047 44 E CA 0.687 57.106 56.400 0.031 0.000 0.869 44 E CB 0.462 30.175 29.700 0.022 0.000 0.836 44 E HN 0.564 nan 8.360 nan 0.000 0.520 45 G N 0.729 109.558 108.800 0.049 0.000 2.225 45 G HA2 -0.409 3.564 3.960 0.022 0.000 0.254 45 G HA3 -0.409 3.564 3.960 0.022 0.000 0.254 45 G C 1.055 176.004 174.900 0.082 0.000 0.988 45 G CA 0.619 45.755 45.100 0.060 0.000 0.625 45 G HN 0.303 nan 8.290 nan 0.000 0.527 46 K N 0.171 120.623 120.400 0.088 0.000 2.218 46 K HA 0.049 4.382 4.320 0.022 0.000 0.205 46 K C 1.482 178.129 176.600 0.077 0.000 1.046 46 K CA 1.610 57.973 56.287 0.127 0.000 0.933 46 K CB -0.125 32.450 32.500 0.125 0.000 0.728 46 K HN 0.857 nan 8.250 nan 0.000 0.454 47 I N -4.169 116.427 120.570 0.044 0.000 3.095 47 I HA 0.390 4.573 4.170 0.022 0.000 0.310 47 I C -1.165 175.020 176.117 0.113 0.000 1.196 47 I CA -1.083 60.257 61.300 0.066 0.000 0.985 47 I CB 2.606 40.641 38.000 0.059 0.000 1.250 47 I HN -0.359 nan 8.210 nan 0.000 0.446 48 S N 1.562 117.320 115.700 0.096 0.000 2.614 48 S HA 0.332 4.816 4.470 0.022 0.000 0.275 48 S C -0.820 173.673 174.600 -0.178 0.000 1.161 48 S CA -0.728 57.461 58.200 -0.018 0.000 0.969 48 S CB 1.812 65.002 63.200 -0.017 0.000 1.059 48 S HN 0.636 nan 8.310 nan 0.000 0.482 49 K N 3.631 123.810 120.400 -0.369 0.000 2.453 49 K HA 0.185 4.519 4.320 0.022 0.000 0.280 49 K C -0.133 176.285 176.600 -0.303 0.000 1.045 49 K CA 0.280 56.234 56.287 -0.554 0.000 1.059 49 K CB -0.146 32.050 32.500 -0.508 0.000 0.901 49 K HN 0.639 nan 8.250 nan 0.000 0.475 50 I N 0.273 120.675 120.570 -0.280 0.000 2.957 50 I HA 0.616 4.799 4.170 0.022 0.000 0.310 50 I C 0.310 176.337 176.117 -0.149 0.000 1.063 50 I CA -1.308 59.891 61.300 -0.169 0.000 1.033 50 I CB 1.925 39.852 38.000 -0.122 0.000 1.230 50 I HN 0.521 nan 8.210 nan 0.000 0.447 51 G N 1.556 110.291 108.800 -0.109 0.000 2.504 51 G HA2 0.499 4.472 3.960 0.022 0.000 0.288 51 G HA3 0.499 4.472 3.960 0.022 0.000 0.288 51 G C -2.301 172.550 174.900 -0.080 0.000 1.182 51 G CA -1.503 43.542 45.100 -0.092 0.000 0.894 51 G HN 0.563 nan 8.290 nan 0.000 0.521 52 P HA 0.034 nan 4.420 nan 0.000 0.269 52 P C 0.793 178.053 177.300 -0.066 0.000 1.376 52 P CA 0.568 63.629 63.100 -0.064 0.000 0.775 52 P CB 0.136 31.803 31.700 -0.055 0.000 1.345 53 E N -1.831 118.328 120.200 -0.070 0.000 2.447 53 E HA -0.035 4.328 4.350 0.022 0.000 0.195 53 E C 0.738 177.282 176.600 -0.093 0.000 1.028 53 E CA 0.043 56.399 56.400 -0.073 0.000 0.876 53 E CB -0.479 29.183 29.700 -0.062 0.000 0.885 53 E HN -0.063 nan 8.360 nan 0.000 0.500 54 N N 2.133 120.780 118.700 -0.088 0.000 2.415 54 N HA 0.085 4.838 4.740 0.022 0.000 0.246 54 N C -1.660 173.764 175.510 -0.142 0.000 1.078 54 N CA -1.739 51.254 53.050 -0.095 0.000 0.942 54 N CB 1.221 39.690 38.487 -0.030 0.000 1.140 54 N HN 0.067 nan 8.380 nan 0.000 0.501 55 P HA -0.022 nan 4.420 nan 0.000 0.242 55 P C -0.548 176.554 177.300 -0.329 0.000 1.197 55 P CA 0.504 63.401 63.100 -0.339 0.000 0.765 55 P CB 0.018 31.451 31.700 -0.445 0.000 0.936 56 Y N 0.614 120.917 120.300 0.004 0.000 2.458 56 Y HA 0.580 5.143 4.550 0.022 0.000 0.322 56 Y C 0.833 176.755 175.900 0.038 0.000 1.259 56 Y CA -0.834 57.289 58.100 0.038 0.000 1.302 56 Y CB 0.758 39.250 38.460 0.055 0.000 1.314 56 Y HN -0.145 nan 8.280 nan 0.000 0.509 57 N N -0.968 117.882 118.700 0.250 0.000 4.091 57 N HA 0.180 4.933 4.740 0.022 0.000 0.196 57 N C -1.781 173.807 175.510 0.130 0.000 1.048 57 N CA -0.234 52.913 53.050 0.161 0.000 1.120 57 N CB 1.236 39.770 38.487 0.078 0.000 1.637 57 N HN 0.581 nan 8.380 nan 0.000 0.727 58 T N 2.793 117.428 114.554 0.134 0.000 2.888 58 T HA 0.661 5.024 4.350 0.022 0.000 0.284 58 T C -2.702 171.950 174.700 -0.081 0.000 1.017 58 T CA -1.575 60.549 62.100 0.040 0.000 1.022 58 T CB 1.429 70.325 68.868 0.047 0.000 1.013 58 T HN 0.346 nan 8.240 nan 0.000 0.465 59 P HA 0.454 nan 4.420 nan 0.000 0.274 59 P C -1.263 175.889 177.300 -0.246 0.000 1.237 59 P CA -0.334 62.521 63.100 -0.407 0.000 0.793 59 P CB 0.983 32.208 31.700 -0.791 0.000 0.977 60 V N 2.171 121.997 119.914 -0.147 0.000 3.049 60 V HA 0.659 4.792 4.120 0.022 0.000 0.309 60 V C -0.210 175.994 176.094 0.183 0.000 1.148 60 V CA -0.385 61.830 62.300 -0.142 0.000 0.990 60 V CB 1.736 33.456 31.823 -0.171 0.000 1.039 60 V HN 0.760 nan 8.190 nan 0.000 0.430 61 F N 0.269 120.242 119.950 0.038 0.000 3.052 61 F HA 0.991 5.531 4.527 0.022 0.000 0.323 61 F C -0.370 175.457 175.800 0.044 0.000 1.178 61 F CA -0.805 57.252 58.000 0.094 0.000 0.892 61 F CB 0.869 39.995 39.000 0.210 0.000 1.416 61 F HN 0.722 nan 8.300 nan 0.000 0.488 73 K N 3.276 123.633 120.400 -0.071 0.000 2.211 73 K HA 0.331 4.664 4.320 0.022 0.000 0.275 73 K C -1.213 175.281 176.600 -0.176 0.000 1.024 73 K CA -0.528 55.683 56.287 -0.126 0.000 0.887 73 K CB 0.818 33.231 32.500 -0.145 0.000 1.084 73 K HN 0.312 nan 8.250 nan 0.000 0.463 74 L N 5.890 126.901 121.223 -0.353 0.000 2.345 74 L HA 0.312 4.665 4.340 0.022 0.000 0.274 74 L C -1.509 174.915 176.870 -0.743 0.000 0.999 74 L CA -0.601 53.930 54.840 -0.515 0.000 0.849 74 L CB 1.572 43.242 42.059 -0.650 0.000 1.220 74 L HN 0.384 nan 8.230 nan 0.000 0.422 75 V N 3.558 123.158 119.914 -0.523 0.000 2.383 75 V HA 0.353 4.486 4.120 0.022 0.000 0.275 75 V C -0.297 175.391 176.094 -0.678 0.000 1.036 75 V CA -0.644 61.241 62.300 -0.692 0.000 0.889 75 V CB 1.349 32.689 31.823 -0.805 0.000 0.985 75 V HN 0.686 nan 8.190 nan 0.000 0.459 76 D N 3.259 123.345 120.400 -0.524 0.000 2.380 76 D HA 0.338 4.991 4.640 0.022 0.000 0.230 76 D C 0.162 176.298 176.300 -0.274 0.000 1.154 76 D CA -0.120 53.746 54.000 -0.224 0.000 0.859 76 D CB 0.545 41.409 40.800 0.107 0.000 1.045 76 D HN 0.445 nan 8.370 nan 0.000 0.495 77 F N 2.173 122.172 119.950 0.082 0.000 2.693 77 F HA 0.239 4.779 4.527 0.022 0.000 0.303 77 F C 2.168 178.061 175.800 0.155 0.000 1.097 77 F CA -0.525 57.548 58.000 0.122 0.000 1.330 77 F CB 0.269 39.367 39.000 0.164 0.000 1.067 77 F HN 0.231 nan 8.300 nan 0.000 0.565 78 R N 0.654 121.306 120.500 0.254 0.000 2.159 78 R HA -0.295 4.058 4.340 0.022 0.000 0.249 78 R C 2.056 178.471 176.300 0.191 0.000 1.136 78 R CA 2.294 58.512 56.100 0.197 0.000 0.951 78 R CB -0.456 29.936 30.300 0.152 0.000 0.876 78 R HN 0.221 nan 8.270 nan 0.000 0.440 79 E N 0.835 121.147 120.200 0.186 0.000 2.031 79 E HA -0.192 4.172 4.350 0.022 0.000 0.193 79 E C 1.835 178.542 176.600 0.178 0.000 0.994 79 E CA 1.164 57.660 56.400 0.160 0.000 0.800 79 E CB -0.342 29.447 29.700 0.147 0.000 0.752 79 E HN 0.184 nan 8.360 nan 0.000 0.447 80 L N 1.166 122.533 121.223 0.240 0.000 1.990 80 L HA -0.243 4.110 4.340 0.022 0.000 0.213 80 L C 1.656 178.700 176.870 0.290 0.000 1.072 80 L CA 2.206 57.197 54.840 0.252 0.000 0.755 80 L CB -1.005 41.258 42.059 0.338 0.000 0.889 80 L HN 0.143 nan 8.230 nan 0.000 0.432 81 N N 0.167 119.068 118.700 0.336 0.000 2.184 81 N HA -0.216 4.537 4.740 0.022 0.000 0.190 81 N C 1.671 177.265 175.510 0.139 0.000 1.011 81 N CA 1.596 54.794 53.050 0.247 0.000 0.867 81 N CB -0.296 38.309 38.487 0.196 0.000 0.993 81 N HN 0.509 nan 8.380 nan 0.000 0.433 82 K N 0.159 120.636 120.400 0.127 0.000 2.288 82 K HA 0.053 4.387 4.320 0.022 0.000 0.201 82 K C 1.336 177.972 176.600 0.061 0.000 1.048 82 K CA 0.665 56.998 56.287 0.077 0.000 0.956 82 K CB 0.114 32.660 32.500 0.076 0.000 0.746 82 K HN 0.213 nan 8.250 nan 0.000 0.461 83 R N 0.177 120.727 120.500 0.083 0.000 2.362 83 R HA 0.089 4.442 4.340 0.022 0.000 0.227 83 R C 0.083 176.416 176.300 0.054 0.000 0.905 83 R CA 0.138 56.264 56.100 0.044 0.000 1.067 83 R CB 0.705 31.014 30.300 0.016 0.000 1.078 83 R HN -0.065 nan 8.270 nan 0.000 0.516 84 T N 2.268 116.895 114.554 0.122 0.000 2.845 84 T HA 0.095 4.458 4.350 0.022 0.000 0.288 84 T C -0.070 174.574 174.700 -0.093 0.000 0.980 84 T CA -0.696 61.493 62.100 0.148 0.000 1.071 84 T CB 1.428 70.528 68.868 0.387 0.000 0.941 84 T HN 0.222 nan 8.240 nan 0.000 0.487 85 Q N 2.329 121.999 119.800 -0.216 0.000 2.414 85 Q HA 0.039 4.392 4.340 0.022 0.000 0.288 85 Q C -0.787 174.776 176.000 -0.727 0.000 1.086 85 Q CA -0.087 55.476 55.803 -0.400 0.000 0.943 85 Q CB 0.367 28.857 28.738 -0.414 0.000 1.282 85 Q HN 0.418 nan 8.270 nan 0.000 0.438 86 D N 1.684 121.786 120.400 -0.496 0.000 2.350 86 D HA 0.209 4.862 4.640 0.022 0.000 0.249 86 D C -0.637 175.337 176.300 -0.543 0.000 1.119 86 D CA 0.139 53.885 54.000 -0.422 0.000 0.886 86 D CB 0.416 41.108 40.800 -0.179 0.000 1.195 86 D HN 0.356 nan 8.370 nan 0.000 0.437 87 F N 0.378 120.273 119.950 -0.091 0.000 2.461 87 F HA 0.311 4.851 4.527 0.022 0.000 0.337 87 F C 0.845 176.685 175.800 0.066 0.000 1.079 87 F CA -1.151 56.825 58.000 -0.041 0.000 1.032 87 F CB 0.622 39.544 39.000 -0.129 0.000 1.327 87 F HN 0.270 nan 8.300 nan 0.000 0.491 88 W N 2.459 123.819 121.300 0.101 0.000 2.190 88 W HA 0.097 4.770 4.660 0.022 0.000 0.330 88 W C 0.283 176.808 176.519 0.011 0.000 1.299 88 W CA -0.635 56.725 57.345 0.025 0.000 1.215 88 W CB 0.563 30.029 29.460 0.010 0.000 1.147 88 W HN 0.611 nan 8.180 nan 0.000 0.563 89 E N 4.332 123.982 120.200 -0.916 0.000 3.102 89 E HA -0.133 4.230 4.350 0.022 0.000 0.235 89 E C -0.403 175.887 176.600 -0.516 0.000 0.995 89 E CA -0.042 55.898 56.400 -0.767 0.000 0.950 89 E CB 0.433 29.539 29.700 -0.990 0.000 0.905 89 E HN 0.339 nan 8.360 nan 0.000 0.553 90 V N 7.745 127.494 119.914 -0.276 0.000 2.400 90 V HA -0.072 4.062 4.120 0.022 0.000 0.263 90 V C -0.266 175.726 176.094 -0.170 0.000 1.026 90 V CA 0.775 62.964 62.300 -0.185 0.000 1.077 90 V CB -0.682 31.043 31.823 -0.162 0.000 1.054 90 V HN 0.986 nan 8.190 nan 0.000 0.477 91 Q N 3.958 123.680 119.800 -0.129 0.000 2.857 91 Q HA -0.223 4.130 4.340 0.022 0.000 0.120 91 Q C -0.181 175.764 176.000 -0.093 0.000 1.512 91 Q CA 0.824 56.586 55.803 -0.068 0.000 0.484 91 Q CB -1.218 27.501 28.738 -0.032 0.000 0.656 91 Q HN 0.738 nan 8.270 nan 0.000 0.318 92 L N 2.649 123.820 121.223 -0.087 0.000 1.925 92 L HA 0.255 4.608 4.340 0.022 0.000 0.214 92 L C 1.194 178.042 176.870 -0.036 0.000 1.091 92 L CA 1.942 56.725 54.840 -0.094 0.000 0.768 92 L CB -1.572 40.443 42.059 -0.074 0.000 0.887 92 L HN 0.684 nan 8.230 nan 0.000 0.433 93 G N -0.249 108.554 108.800 0.006 0.000 2.434 93 G HA2 0.611 4.584 3.960 0.022 0.000 0.330 93 G HA3 0.611 4.584 3.960 0.022 0.000 0.330 93 G C -0.725 174.220 174.900 0.075 0.000 1.155 93 G CA -0.410 44.707 45.100 0.027 0.000 0.917 93 G HN 0.619 nan 8.290 nan 0.000 0.493 94 I N 0.298 120.920 120.570 0.087 0.000 2.353 94 I HA 0.522 4.705 4.170 0.022 0.000 0.293 94 I C -1.801 174.387 176.117 0.118 0.000 0.992 94 I CA -2.200 59.190 61.300 0.149 0.000 1.268 94 I CB 1.706 39.779 38.000 0.122 0.000 1.387 94 I HN 0.253 nan 8.210 nan 0.000 0.478 95 P HA 0.040 nan 4.420 nan 0.000 0.268 95 P C -1.063 176.268 177.300 0.052 0.000 1.205 95 P CA 0.277 63.397 63.100 0.035 0.000 0.771 95 P CB 0.570 32.228 31.700 -0.069 0.000 0.858 96 H N 3.671 122.627 119.070 -0.189 0.000 2.458 96 H HA 0.233 4.803 4.556 0.022 0.000 0.330 96 H C -1.768 173.289 175.328 -0.452 0.000 1.111 96 H CA -2.200 53.672 56.048 -0.294 0.000 1.245 96 H CB 1.360 30.939 29.762 -0.305 0.000 1.456 96 H HN 0.131 nan 8.280 nan 0.000 0.488 97 P HA -0.213 nan 4.420 nan 0.000 0.218 97 P C 0.937 177.962 177.300 -0.458 0.000 1.152 97 P CA 2.612 65.372 63.100 -0.567 0.000 0.857 97 P CB 0.068 31.058 31.700 -1.184 0.000 0.787 98 A N -0.854 121.686 122.820 -0.466 0.000 2.119 98 A HA 0.044 4.377 4.320 0.022 0.000 0.217 98 A C 2.181 179.932 177.584 0.279 0.000 1.153 98 A CA 1.483 53.471 52.037 -0.081 0.000 0.692 98 A CB -1.420 17.622 19.000 0.071 0.000 0.799 98 A HN 0.301 nan 8.150 nan 0.000 0.458 99 G N -0.655 108.089 108.800 -0.093 0.000 3.026 99 G HA2 0.356 4.329 3.960 0.022 0.000 0.208 99 G HA3 0.356 4.329 3.960 0.022 0.000 0.208 99 G C 0.444 175.393 174.900 0.081 0.000 1.169 99 G CA -0.124 44.901 45.100 -0.126 0.000 0.788 99 G HN 0.404 nan 8.290 nan 0.000 0.533 100 L N -0.585 120.686 121.223 0.081 0.000 2.400 100 L HA 0.516 4.869 4.340 0.022 0.000 0.264 100 L C 0.106 176.991 176.870 0.025 0.000 1.061 100 L CA -0.985 53.817 54.840 -0.063 0.000 0.799 100 L CB 1.306 43.132 42.059 -0.388 0.000 1.240 100 L HN -0.116 nan 8.230 nan 0.000 0.461 101 K N 0.518 120.851 120.400 -0.113 0.000 2.156 101 K HA 0.369 4.702 4.320 0.022 0.000 0.254 101 K C -0.723 175.763 176.600 -0.190 0.000 0.950 101 K CA -0.940 55.311 56.287 -0.059 0.000 0.849 101 K CB 1.706 34.182 32.500 -0.040 0.000 1.100 101 K HN 0.324 nan 8.250 nan 0.000 0.434 102 K N 1.953 122.336 120.400 -0.028 0.000 2.355 102 K HA 0.042 4.375 4.320 0.022 0.000 0.270 102 K C -0.624 175.958 176.600 -0.030 0.000 1.003 102 K CA 0.233 56.536 56.287 0.027 0.000 0.957 102 K CB 0.501 33.094 32.500 0.156 0.000 0.939 102 K HN 0.296 nan 8.250 nan 0.000 0.482 103 K N 3.488 123.876 120.400 -0.020 0.000 2.443 103 K HA 0.129 4.462 4.320 0.022 0.000 0.252 103 K C 0.259 176.863 176.600 0.006 0.000 0.933 103 K CA -0.694 55.585 56.287 -0.014 0.000 0.792 103 K CB 1.754 34.231 32.500 -0.038 0.000 1.185 103 K HN 0.447 nan 8.250 nan 0.000 0.425 104 K N 0.906 121.304 120.400 -0.003 0.000 2.152 104 K HA -0.076 4.257 4.320 0.022 0.000 0.206 104 K C 0.076 176.633 176.600 -0.072 0.000 1.048 104 K CA 1.123 57.398 56.287 -0.019 0.000 0.933 104 K CB 0.215 32.707 32.500 -0.012 0.000 0.721 104 K HN 0.817 nan 8.250 nan 0.000 0.447 105 S N -1.842 113.781 115.700 -0.128 0.000 2.565 105 S HA 0.426 4.909 4.470 0.022 0.000 0.274 105 S C -0.924 173.563 174.600 -0.189 0.000 1.144 105 S CA -0.796 57.258 58.200 -0.244 0.000 0.849 105 S CB 1.934 64.816 63.200 -0.531 0.000 1.103 105 S HN 0.036 nan 8.310 nan 0.000 0.455 106 V N -0.312 119.586 119.914 -0.028 0.000 2.851 106 V HA 0.904 5.037 4.120 0.022 0.000 0.307 106 V C -1.203 175.048 176.094 0.262 0.000 1.129 106 V CA -0.083 62.303 62.300 0.143 0.000 0.932 106 V CB 1.729 33.607 31.823 0.092 0.000 1.024 106 V HN 1.154 nan 8.190 nan 0.000 0.426 107 T N 4.799 119.516 114.554 0.272 0.000 2.863 107 T HA 0.650 5.013 4.350 0.022 0.000 0.285 107 T C -0.823 173.922 174.700 0.074 0.000 1.009 107 T CA -0.372 61.873 62.100 0.241 0.000 0.989 107 T CB 1.694 70.705 68.868 0.238 0.000 1.004 107 T HN 1.209 nan 8.240 nan 0.000 0.455 108 V N 4.003 123.938 119.914 0.036 0.000 2.513 108 V HA 0.722 4.855 4.120 0.022 0.000 0.299 108 V C -1.670 174.363 176.094 -0.101 0.000 1.035 108 V CA -0.812 61.413 62.300 -0.125 0.000 0.889 108 V CB 1.111 32.852 31.823 -0.137 0.000 0.988 108 V HN 0.645 nan 8.190 nan 0.000 0.440 109 L N 5.676 126.767 121.223 -0.220 0.000 2.349 109 L HA 0.563 4.916 4.340 0.022 0.000 0.278 109 L C -0.338 176.454 176.870 -0.130 0.000 0.996 109 L CA -0.228 54.532 54.840 -0.135 0.000 0.825 109 L CB 1.509 43.483 42.059 -0.141 0.000 1.243 109 L HN 0.723 nan 8.230 nan 0.000 0.412 110 D N 2.042 122.422 120.400 -0.033 0.000 2.308 110 D HA 0.244 4.897 4.640 0.022 0.000 0.251 110 D C -0.645 175.674 176.300 0.032 0.000 1.127 110 D CA -0.150 53.853 54.000 0.004 0.000 0.876 110 D CB 1.423 42.259 40.800 0.061 0.000 1.176 110 D HN 0.195 nan 8.370 nan 0.000 0.446 111 V N 4.424 124.361 119.914 0.037 0.000 2.339 111 V HA 0.476 4.609 4.120 0.022 0.000 0.261 111 V C 1.229 177.390 176.094 0.112 0.000 1.058 111 V CA -0.520 61.837 62.300 0.094 0.000 0.897 111 V CB 0.602 32.521 31.823 0.160 0.000 1.052 111 V HN 0.622 nan 8.190 nan 0.000 0.480 112 G N 2.366 111.280 108.800 0.190 0.000 2.448 112 G HA2 0.489 4.463 3.960 0.022 0.000 0.285 112 G HA3 0.489 4.463 3.960 0.022 0.000 0.285 112 G C 0.067 175.096 174.900 0.215 0.000 1.176 112 G CA -0.183 45.044 45.100 0.211 0.000 0.852 112 G HN 0.843 nan 8.290 nan 0.000 0.530 113 D N -0.727 119.778 120.400 0.175 0.000 3.079 113 D HA -0.239 4.414 4.640 0.022 0.000 0.214 113 D C 1.801 178.245 176.300 0.241 0.000 1.145 113 D CA 1.416 55.551 54.000 0.226 0.000 0.958 113 D CB -1.062 39.878 40.800 0.232 0.000 1.117 113 D HN 0.847 nan 8.370 nan 0.000 0.416 114 A N -0.120 122.775 122.820 0.125 0.000 2.714 114 A HA -0.381 3.952 4.320 0.022 0.000 0.243 114 A C 1.638 179.316 177.584 0.156 0.000 1.409 114 A CA 2.302 54.325 52.037 -0.024 0.000 1.062 114 A CB -1.430 17.320 19.000 -0.417 0.000 0.547 114 A HN 0.592 nan 8.150 nan 0.000 0.459 115 Y N -2.559 117.569 120.300 -0.287 0.000 2.242 115 Y HA -0.077 4.486 4.550 0.022 0.000 0.291 115 Y C 1.348 177.220 175.900 -0.047 0.000 1.137 115 Y CA 0.132 58.095 58.100 -0.229 0.000 1.181 115 Y CB -0.240 37.967 38.460 -0.423 0.000 0.989 115 Y HN 0.328 nan 8.280 nan 0.000 0.527 116 F N 0.762 120.847 119.950 0.225 0.000 2.600 116 F HA -0.005 4.535 4.527 0.022 0.000 0.369 116 F C 0.645 176.556 175.800 0.185 0.000 1.164 116 F CA 0.560 58.677 58.000 0.194 0.000 1.375 116 F CB -0.424 38.660 39.000 0.139 0.000 1.633 116 F HN -0.115 nan 8.300 nan 0.000 0.624 117 S N -1.223 114.683 115.700 0.344 0.000 2.671 117 S HA 0.170 4.653 4.470 0.022 0.000 0.231 117 S C -0.349 174.398 174.600 0.246 0.000 0.882 117 S CA -0.256 58.115 58.200 0.285 0.000 1.476 117 S CB 0.257 63.630 63.200 0.289 0.000 1.257 117 S HN -0.081 nan 8.310 nan 0.000 0.633 118 V N 4.644 124.697 119.914 0.232 0.000 2.487 118 V HA 0.491 4.624 4.120 0.022 0.000 0.298 118 V C -2.463 173.717 176.094 0.144 0.000 1.028 118 V CA -2.081 60.323 62.300 0.173 0.000 0.860 118 V CB 1.994 33.912 31.823 0.157 0.000 0.991 118 V HN 0.080 nan 8.190 nan 0.000 0.427 119 P HA 0.114 nan 4.420 nan 0.000 0.268 119 P C -0.840 176.512 177.300 0.086 0.000 1.205 119 P CA -0.141 63.025 63.100 0.110 0.000 0.771 119 P CB 1.270 33.030 31.700 0.100 0.000 0.858 120 L N 2.493 123.767 121.223 0.085 0.000 2.317 120 L HA 0.407 4.760 4.340 0.022 0.000 0.281 120 L C -0.040 176.879 176.870 0.082 0.000 1.024 120 L CA -0.673 54.203 54.840 0.061 0.000 0.810 120 L CB 0.910 42.986 42.059 0.030 0.000 1.240 120 L HN 0.207 nan 8.230 nan 0.000 0.427 121 D N 3.351 123.801 120.400 0.084 0.000 2.659 121 D HA -0.144 4.509 4.640 0.022 0.000 0.264 121 D C 1.160 177.546 176.300 0.143 0.000 1.329 121 D CA 0.934 55.000 54.000 0.110 0.000 0.963 121 D CB 0.535 41.404 40.800 0.114 0.000 1.136 121 D HN 0.759 nan 8.370 nan 0.000 0.554 122 E N 2.742 123.003 120.200 0.101 0.000 2.136 122 E HA -0.348 4.015 4.350 0.022 0.000 0.208 122 E C 1.050 177.701 176.600 0.085 0.000 1.035 122 E CA 1.749 58.197 56.400 0.081 0.000 0.838 122 E CB 0.020 29.755 29.700 0.058 0.000 0.748 122 E HN 0.685 nan 8.360 nan 0.000 0.459 123 D N -1.089 119.379 120.400 0.114 0.000 2.228 123 D HA -0.172 4.481 4.640 0.022 0.000 0.203 123 D C 1.440 177.848 176.300 0.181 0.000 0.988 123 D CA 0.809 54.884 54.000 0.126 0.000 0.864 123 D CB -0.144 40.747 40.800 0.152 0.000 0.928 123 D HN 0.182 nan 8.370 nan 0.000 0.469 124 F N 0.130 120.117 119.950 0.061 0.000 2.746 124 F HA 0.276 4.816 4.527 0.022 0.000 0.297 124 F C 1.919 177.723 175.800 0.007 0.000 1.113 124 F CA -0.058 58.021 58.000 0.131 0.000 1.367 124 F CB 0.175 39.247 39.000 0.120 0.000 1.111 124 F HN -0.201 nan 8.300 nan 0.000 0.590 125 R N 1.153 121.668 120.500 0.025 0.000 2.091 125 R HA -0.216 4.138 4.340 0.022 0.000 0.238 125 R C 2.228 178.424 176.300 -0.173 0.000 1.136 125 R CA 2.008 58.078 56.100 -0.051 0.000 0.959 125 R CB -0.666 29.643 30.300 0.015 0.000 0.856 125 R HN 0.376 nan 8.270 nan 0.000 0.437 126 K N 0.095 120.319 120.400 -0.294 0.000 2.173 126 K HA -0.212 4.121 4.320 0.022 0.000 0.207 126 K C 1.423 177.783 176.600 -0.400 0.000 1.046 126 K CA 1.828 57.921 56.287 -0.324 0.000 0.929 126 K CB -0.502 31.755 32.500 -0.405 0.000 0.720 126 K HN 0.218 nan 8.250 nan 0.000 0.453 127 Y N 2.496 122.516 120.300 -0.466 0.000 2.497 127 Y HA -0.085 4.478 4.550 0.022 0.000 0.292 127 Y C 2.567 178.272 175.900 -0.325 0.000 1.137 127 Y CA 1.324 59.034 58.100 -0.650 0.000 1.285 127 Y CB -0.631 37.196 38.460 -1.055 0.000 0.991 127 Y HN 0.376 nan 8.280 nan 0.000 0.556 128 T N -2.340 112.157 114.554 -0.094 0.000 3.129 128 T HA 0.348 4.711 4.350 0.022 0.000 0.251 128 T C 0.985 175.939 174.700 0.422 0.000 1.117 128 T CA 0.114 62.292 62.100 0.130 0.000 1.034 128 T CB -0.623 68.285 68.868 0.066 0.000 0.968 128 T HN 0.215 nan 8.240 nan 0.000 0.526 129 A N 1.889 124.863 122.820 0.255 0.000 2.566 129 A HA 0.479 4.813 4.320 0.022 0.000 0.245 129 A C -0.005 177.782 177.584 0.339 0.000 1.056 129 A CA -0.291 51.890 52.037 0.239 0.000 0.757 129 A CB -0.820 18.262 19.000 0.137 0.000 0.979 129 A HN 0.799 nan 8.150 nan 0.000 0.508 130 F N -0.118 119.918 119.950 0.144 0.000 2.626 130 F HA 0.840 5.380 4.527 0.022 0.000 0.311 130 F C -0.323 175.522 175.800 0.075 0.000 1.088 130 F CA -0.791 57.253 58.000 0.074 0.000 0.949 130 F CB 1.588 40.612 39.000 0.041 0.000 1.322 130 F HN 0.332 nan 8.300 nan 0.000 0.461 131 T N 3.225 117.859 114.554 0.133 0.000 2.881 131 T HA 0.591 4.954 4.350 0.022 0.000 0.290 131 T C -0.486 174.282 174.700 0.113 0.000 1.000 131 T CA -0.569 61.554 62.100 0.040 0.000 0.978 131 T CB 1.534 70.409 68.868 0.012 0.000 0.997 131 T HN 0.775 nan 8.240 nan 0.000 0.443 132 I N 0.635 121.271 120.570 0.109 0.000 2.312 132 I HA 0.527 4.710 4.170 0.022 0.000 0.290 132 I C -2.883 173.280 176.117 0.077 0.000 1.008 132 I CA -2.910 58.456 61.300 0.109 0.000 1.226 132 I CB 0.825 38.892 38.000 0.112 0.000 1.371 132 I HN 0.241 nan 8.210 nan 0.000 0.468 133 P HA 0.021 nan 4.420 nan 0.000 0.268 133 P C -0.339 176.989 177.300 0.046 0.000 1.208 133 P CA 0.007 63.135 63.100 0.047 0.000 0.777 133 P CB 0.555 32.286 31.700 0.050 0.000 0.875 134 S N 1.695 117.415 115.700 0.034 0.000 2.525 134 S HA 0.289 4.772 4.470 0.022 0.000 0.278 134 S C 1.321 175.939 174.600 0.028 0.000 1.234 134 S CA -0.667 57.550 58.200 0.030 0.000 1.058 134 S CB 0.112 63.323 63.200 0.019 0.000 0.983 134 S HN 0.297 nan 8.310 nan 0.000 0.495 135 I N 1.533 122.120 120.570 0.028 0.000 2.074 135 I HA -0.262 3.922 4.170 0.022 0.000 0.238 135 I C 1.484 177.614 176.117 0.021 0.000 1.037 135 I CA 1.536 62.852 61.300 0.026 0.000 1.301 135 I CB -0.636 37.378 38.000 0.023 0.000 1.016 135 I HN 0.783 nan 8.210 nan 0.000 0.400 136 N N 2.097 120.807 118.700 0.017 0.000 2.412 136 N HA -0.110 4.643 4.740 0.022 0.000 0.258 136 N C 0.850 176.368 175.510 0.014 0.000 1.236 136 N CA 0.241 53.299 53.050 0.013 0.000 0.882 136 N CB 0.346 38.839 38.487 0.009 0.000 1.066 136 N HN 0.217 nan 8.380 nan 0.000 0.465 137 N N 3.214 121.922 118.700 0.013 0.000 2.376 137 N HA -0.106 4.647 4.740 0.022 0.000 0.177 137 N C 0.328 175.844 175.510 0.009 0.000 1.024 137 N CA 0.676 53.734 53.050 0.014 0.000 0.893 137 N CB -0.108 38.388 38.487 0.015 0.000 0.980 137 N HN 0.592 nan 8.380 nan 0.000 0.439 138 E N 0.788 120.992 120.200 0.007 0.000 2.077 138 E HA -0.091 4.272 4.350 0.022 0.000 0.193 138 E C 0.698 177.299 176.600 0.002 0.000 0.989 138 E CA 0.784 57.186 56.400 0.004 0.000 0.800 138 E CB -0.628 29.073 29.700 0.002 0.000 0.746 138 E HN 0.374 nan 8.360 nan 0.000 0.452 139 T N 2.605 117.160 114.554 0.002 0.000 2.904 139 T HA 0.201 4.564 4.350 0.022 0.000 0.290 139 T C -2.357 172.343 174.700 -0.000 0.000 1.018 139 T CA -1.946 60.154 62.100 -0.001 0.000 1.075 139 T CB 1.322 70.190 68.868 -0.001 0.000 0.986 139 T HN -0.130 nan 8.240 nan 0.000 0.523 140 P HA 0.427 nan 4.420 nan 0.000 0.282 140 P C -0.064 177.234 177.300 -0.004 0.000 1.287 140 P CA -0.419 62.677 63.100 -0.007 0.000 0.792 140 P CB 0.615 32.305 31.700 -0.016 0.000 1.163 141 G N -0.442 108.356 108.800 -0.003 0.000 2.552 141 G HA2 0.545 4.519 3.960 0.022 0.000 0.318 141 G HA3 0.545 4.519 3.960 0.022 0.000 0.318 141 G C -0.651 174.245 174.900 -0.005 0.000 1.240 141 G CA -0.752 44.353 45.100 0.008 0.000 1.002 141 G HN 0.310 nan 8.290 nan 0.000 0.493 142 I N 0.195 120.778 120.570 0.023 0.000 2.371 142 I HA 0.323 4.506 4.170 0.022 0.000 0.290 142 I C 0.558 176.674 176.117 -0.002 0.000 1.028 142 I CA -0.256 61.041 61.300 -0.005 0.000 1.345 142 I CB 1.173 39.231 38.000 0.097 0.000 1.407 142 I HN 0.238 nan 8.210 nan 0.000 0.501 143 R N 6.007 126.430 120.500 -0.130 0.000 2.295 143 R HA 0.570 4.923 4.340 0.022 0.000 0.324 143 R C -1.159 174.982 176.300 -0.264 0.000 0.968 143 R CA -0.679 55.335 56.100 -0.145 0.000 0.837 143 R CB 1.047 31.275 30.300 -0.120 0.000 1.133 143 R HN 0.418 nan 8.270 nan 0.000 0.450 144 Y N 0.814 120.764 120.300 -0.585 0.000 2.782 144 Y HA 0.368 4.931 4.550 0.022 0.000 0.329 144 Y C 0.091 175.747 175.900 -0.407 0.000 1.192 144 Y CA -0.929 56.837 58.100 -0.557 0.000 1.216 144 Y CB 1.377 39.345 38.460 -0.821 0.000 1.447 144 Y HN 0.444 nan 8.280 nan 0.000 0.616 145 Q N -1.001 118.822 119.800 0.038 0.000 2.541 145 Q HA 0.338 4.691 4.340 0.022 0.000 0.259 145 Q C -2.240 173.904 176.000 0.241 0.000 0.974 145 Q CA -0.889 55.024 55.803 0.184 0.000 0.955 145 Q CB 0.742 29.530 28.738 0.083 0.000 1.517 145 Q HN 0.573 nan 8.270 nan 0.000 0.412 146 Y N 1.868 122.327 120.300 0.266 0.000 2.578 146 Y HA 0.064 4.628 4.550 0.022 0.000 0.339 146 Y C 1.061 177.028 175.900 0.112 0.000 1.231 146 Y CA 0.927 59.151 58.100 0.207 0.000 1.461 146 Y CB 0.620 39.157 38.460 0.128 0.000 1.323 146 Y HN 0.745 nan 8.280 nan 0.000 0.590 147 N N 0.884 119.745 118.700 0.269 0.000 2.181 147 N HA 0.085 4.838 4.740 0.022 0.000 0.207 147 N C -0.516 175.114 175.510 0.198 0.000 1.182 147 N CA 0.421 53.580 53.050 0.181 0.000 0.893 147 N CB 0.867 39.434 38.487 0.133 0.000 1.032 147 N HN 0.393 nan 8.380 nan 0.000 0.513 148 V N -2.387 117.703 119.914 0.294 0.000 3.145 148 V HA 0.521 4.654 4.120 0.022 0.000 0.311 148 V C -0.111 176.073 176.094 0.150 0.000 1.238 148 V CA -0.997 61.449 62.300 0.243 0.000 1.066 148 V CB 1.399 33.413 31.823 0.319 0.000 1.144 148 V HN -0.159 nan 8.190 nan 0.000 0.465 149 L N 3.586 124.858 121.223 0.082 0.000 2.623 149 L HA 0.294 4.647 4.340 0.022 0.000 0.281 149 L C -2.037 174.716 176.870 -0.195 0.000 1.150 149 L CA -1.223 53.595 54.840 -0.037 0.000 0.965 149 L CB 0.168 42.205 42.059 -0.038 0.000 1.303 149 L HN 0.542 nan 8.230 nan 0.000 0.467 150 P HA -0.059 nan 4.420 nan 0.000 0.267 150 P C -0.452 176.599 177.300 -0.415 0.000 1.205 150 P CA -0.344 62.260 63.100 -0.827 0.000 0.765 150 P CB 0.742 31.570 31.700 -1.454 0.000 0.828 151 Q N 2.698 122.166 119.800 -0.553 0.000 2.263 151 Q HA 0.283 4.636 4.340 0.022 0.000 0.289 151 Q C 1.394 177.395 176.000 0.002 0.000 1.061 151 Q CA 1.844 57.456 55.803 -0.319 0.000 0.927 151 Q CB -0.727 27.778 28.738 -0.388 0.000 1.154 151 Q HN 0.854 nan 8.270 nan 0.000 0.378 152 G N 2.787 111.635 108.800 0.080 0.000 2.175 152 G HA2 -0.275 3.698 3.960 0.022 0.000 0.244 152 G HA3 -0.275 3.698 3.960 0.022 0.000 0.244 152 G C -0.550 174.499 174.900 0.248 0.000 0.982 152 G CA -0.028 45.164 45.100 0.153 0.000 0.641 152 G HN 0.639 nan 8.290 nan 0.000 0.527 153 W N 1.588 122.852 121.300 -0.060 0.000 2.381 153 W HA 0.675 5.348 4.660 0.022 0.000 0.329 153 W C 1.277 177.725 176.519 -0.118 0.000 1.157 153 W CA -0.632 56.628 57.345 -0.141 0.000 1.240 153 W CB 0.996 30.209 29.460 -0.412 0.000 1.199 153 W HN 0.042 nan 8.180 nan 0.000 0.579 154 K N 2.412 122.275 120.400 -0.894 0.000 2.052 154 K HA -0.218 4.115 4.320 0.022 0.000 0.215 154 K C 1.895 177.804 176.600 -1.151 0.000 1.053 154 K CA 2.487 58.271 56.287 -0.839 0.000 0.934 154 K CB -0.728 31.429 32.500 -0.572 0.000 0.717 154 K HN 0.800 nan 8.250 nan 0.000 0.450 155 G N -0.110 107.264 108.800 -2.377 0.000 2.414 155 G HA2 -0.229 3.745 3.960 0.022 0.000 0.215 155 G HA3 -0.229 3.745 3.960 0.022 0.000 0.215 155 G C 1.362 175.591 174.900 -1.118 0.000 1.188 155 G CA 0.964 44.702 45.100 -2.271 0.000 0.783 155 G HN 0.377 nan 8.290 nan 0.000 0.537 156 S N 2.025 117.364 115.700 -0.601 0.000 2.469 156 S HA -0.248 4.235 4.470 0.022 0.000 0.309 156 S C 0.209 174.303 174.600 -0.843 0.000 1.209 156 S CA 2.283 60.167 58.200 -0.526 0.000 1.281 156 S CB -1.517 61.448 63.200 -0.392 0.000 1.265 156 S HN 0.360 nan 8.310 nan 0.000 0.452 157 P HA -0.182 nan 4.420 nan 0.000 0.201 157 P C 1.656 178.743 177.300 -0.355 0.000 1.046 157 P CA 1.816 64.605 63.100 -0.519 0.000 0.942 157 P CB -0.371 31.152 31.700 -0.295 0.000 0.733 158 A N -0.884 121.731 122.820 -0.341 0.000 1.923 158 A HA -0.299 4.034 4.320 0.022 0.000 0.222 158 A C 2.329 179.764 177.584 -0.248 0.000 1.258 158 A CA 2.626 54.504 52.037 -0.265 0.000 0.670 158 A CB -2.018 16.807 19.000 -0.292 0.000 0.834 158 A HN 0.182 nan 8.150 nan 0.000 0.470 159 I N -2.176 118.172 120.570 -0.370 0.000 2.179 159 I HA -0.246 3.937 4.170 0.022 0.000 0.242 159 I C 2.377 178.396 176.117 -0.163 0.000 1.088 159 I CA 1.919 63.059 61.300 -0.267 0.000 1.357 159 I CB -0.370 37.455 38.000 -0.291 0.000 1.051 159 I HN 0.543 nan 8.210 nan 0.000 0.409 160 F N 1.403 121.136 119.950 -0.361 0.000 2.075 160 F HA -0.295 4.245 4.527 0.022 0.000 0.297 160 F C 2.701 178.374 175.800 -0.211 0.000 1.113 160 F CA 1.793 59.621 58.000 -0.288 0.000 1.218 160 F CB -0.529 38.218 39.000 -0.422 0.000 0.984 160 F HN 0.027 nan 8.300 nan 0.000 0.472 161 Q N 0.575 120.371 119.800 -0.007 0.000 2.047 161 Q HA -0.298 4.055 4.340 0.022 0.000 0.211 161 Q C 2.465 178.318 176.000 -0.245 0.000 1.005 161 Q CA 2.449 58.181 55.803 -0.118 0.000 0.866 161 Q CB -0.976 27.732 28.738 -0.050 0.000 0.938 161 Q HN 0.568 nan 8.270 nan 0.000 0.414 162 S N -0.200 115.394 115.700 -0.177 0.000 2.456 162 S HA -0.231 4.252 4.470 0.022 0.000 0.232 162 S C 2.045 176.513 174.600 -0.220 0.000 1.046 162 S CA 2.648 60.755 58.200 -0.155 0.000 1.175 162 S CB -0.554 62.577 63.200 -0.115 0.000 1.129 162 S HN 0.580 nan 8.310 nan 0.000 0.420 163 S N 1.838 117.394 115.700 -0.241 0.000 2.393 163 S HA -0.314 4.170 4.470 0.022 0.000 0.235 163 S C 1.851 176.223 174.600 -0.379 0.000 1.061 163 S CA 2.098 60.136 58.200 -0.269 0.000 1.129 163 S CB -0.912 62.135 63.200 -0.255 0.000 1.011 163 S HN 0.618 nan 8.310 nan 0.000 0.436 164 M N 2.344 121.609 119.600 -0.558 0.000 2.151 164 M HA -0.189 4.304 4.480 0.022 0.000 0.256 164 M C 2.361 178.412 176.300 -0.415 0.000 1.072 164 M CA 2.699 57.638 55.300 -0.603 0.000 1.090 164 M CB -1.757 30.355 32.600 -0.813 0.000 1.294 164 M HN 0.525 nan 8.290 nan 0.000 0.415 165 T N -1.387 112.974 114.554 -0.322 0.000 2.803 165 T HA -0.183 4.180 4.350 0.022 0.000 0.269 165 T C 1.860 176.438 174.700 -0.203 0.000 1.052 165 T CA 1.932 63.895 62.100 -0.228 0.000 1.136 165 T CB -0.401 68.374 68.868 -0.156 0.000 0.864 165 T HN 0.604 nan 8.240 nan 0.000 0.467 166 K N 0.205 120.478 120.400 -0.213 0.000 2.103 166 K HA 0.160 4.493 4.320 0.022 0.000 0.204 166 K C 2.319 178.770 176.600 -0.250 0.000 1.052 166 K CA 1.200 57.385 56.287 -0.169 0.000 0.945 166 K CB -0.230 32.191 32.500 -0.131 0.000 0.722 166 K HN 0.422 nan 8.250 nan 0.000 0.443 167 I N 0.920 121.227 120.570 -0.439 0.000 2.179 167 I HA -0.295 3.888 4.170 0.022 0.000 0.242 167 I C 1.998 177.895 176.117 -0.367 0.000 1.088 167 I CA 1.036 61.898 61.300 -0.731 0.000 1.357 167 I CB -0.220 37.253 38.000 -0.879 0.000 1.051 167 I HN 0.087 nan 8.210 nan 0.000 0.409 168 L N 0.655 121.688 121.223 -0.317 0.000 2.046 168 L HA -0.213 4.141 4.340 0.022 0.000 0.208 168 L C 2.365 179.171 176.870 -0.107 0.000 1.077 168 L CA 1.627 56.315 54.840 -0.254 0.000 0.747 168 L CB -1.220 40.679 42.059 -0.266 0.000 0.896 168 L HN 0.229 nan 8.230 nan 0.000 0.432 169 E N 0.277 120.426 120.200 -0.085 0.000 2.239 169 E HA -0.263 4.100 4.350 0.022 0.000 0.240 169 E C -0.616 176.016 176.600 0.054 0.000 1.079 169 E CA 2.865 59.256 56.400 -0.014 0.000 0.991 169 E CB -1.568 28.124 29.700 -0.012 0.000 0.863 169 E HN 0.347 nan 8.360 nan 0.000 0.491 170 P HA -0.195 nan 4.420 nan 0.000 0.210 170 P C 1.746 179.150 177.300 0.174 0.000 1.189 170 P CA 1.845 65.045 63.100 0.165 0.000 0.920 170 P CB -0.595 31.269 31.700 0.273 0.000 0.782 171 F N 1.050 121.010 119.950 0.017 0.000 2.079 171 F HA -0.314 4.227 4.527 0.022 0.000 0.296 171 F C 2.682 178.431 175.800 -0.084 0.000 1.084 171 F CA 1.830 59.768 58.000 -0.104 0.000 1.236 171 F CB -0.304 38.409 39.000 -0.479 0.000 0.984 171 F HN -0.221 nan 8.300 nan 0.000 0.488 172 R N 0.338 121.001 120.500 0.272 0.000 2.096 172 R HA -0.219 4.134 4.340 0.022 0.000 0.240 172 R C 2.157 178.527 176.300 0.117 0.000 1.139 172 R CA 2.239 58.438 56.100 0.165 0.000 0.952 172 R CB -0.451 29.880 30.300 0.051 0.000 0.854 172 R HN 0.369 nan 8.270 nan 0.000 0.436 173 K N 0.332 120.780 120.400 0.080 0.000 2.097 173 K HA -0.165 4.168 4.320 0.022 0.000 0.206 173 K C 2.086 178.701 176.600 0.026 0.000 1.049 173 K CA 1.068 57.383 56.287 0.047 0.000 0.933 173 K CB -0.077 32.447 32.500 0.040 0.000 0.717 173 K HN 0.239 nan 8.250 nan 0.000 0.442 174 Q N 0.360 120.163 119.800 0.005 0.000 2.437 174 Q HA -0.025 4.328 4.340 0.022 0.000 0.210 174 Q C -0.160 175.805 176.000 -0.059 0.000 0.972 174 Q CA 0.653 56.421 55.803 -0.059 0.000 0.903 174 Q CB 0.314 28.956 28.738 -0.161 0.000 0.967 174 Q HN 0.267 nan 8.270 nan 0.000 0.486 175 N N -0.199 118.509 118.700 0.012 0.000 2.687 175 N HA 0.108 4.861 4.740 0.022 0.000 0.275 175 N C -2.314 173.239 175.510 0.071 0.000 1.789 175 N CA -0.730 52.351 53.050 0.053 0.000 0.806 175 N CB 1.325 39.898 38.487 0.144 0.000 1.256 175 N HN 0.108 nan 8.380 nan 0.000 0.500 176 P HA -0.198 nan 4.420 nan 0.000 0.216 176 P C 0.746 178.067 177.300 0.036 0.000 1.150 176 P CA 1.524 64.646 63.100 0.037 0.000 0.843 176 P CB 0.343 32.058 31.700 0.024 0.000 0.787 177 D N 0.763 121.184 120.400 0.035 0.000 2.103 177 D HA -0.149 4.504 4.640 0.022 0.000 0.190 177 D C 1.314 177.640 176.300 0.043 0.000 0.997 177 D CA 0.804 54.825 54.000 0.035 0.000 0.833 177 D CB -1.481 39.340 40.800 0.035 0.000 0.961 177 D HN 0.111 nan 8.370 nan 0.000 0.447 178 I N 0.585 121.189 120.570 0.057 0.000 3.045 178 I HA 0.040 4.223 4.170 0.022 0.000 0.288 178 I C 0.458 176.597 176.117 0.036 0.000 1.238 178 I CA -0.333 61.000 61.300 0.055 0.000 1.396 178 I CB 0.553 38.601 38.000 0.080 0.000 1.355 178 I HN -0.097 nan 8.210 nan 0.000 0.601 179 V N 6.108 126.033 119.914 0.018 0.000 2.623 179 V HA 0.475 4.608 4.120 0.022 0.000 0.304 179 V C -0.212 175.878 176.094 -0.008 0.000 1.054 179 V CA -0.467 61.837 62.300 0.006 0.000 0.882 179 V CB 2.262 34.087 31.823 0.003 0.000 1.002 179 V HN 0.450 nan 8.190 nan 0.000 0.424 180 I N 4.902 125.462 120.570 -0.016 0.000 2.569 180 I HA 0.521 4.704 4.170 0.022 0.000 0.296 180 I C -1.366 174.788 176.117 0.063 0.000 1.028 180 I CA -0.883 60.401 61.300 -0.027 0.000 1.082 180 I CB 2.152 40.071 38.000 -0.136 0.000 1.264 180 I HN 0.680 nan 8.210 nan 0.000 0.429 181 Y N 5.460 125.737 120.300 -0.038 0.000 2.338 181 Y HA 0.355 4.918 4.550 0.023 0.000 0.333 181 Y C -0.638 175.291 175.900 0.049 0.000 0.968 181 Y CA -0.563 57.546 58.100 0.014 0.000 1.123 181 Y CB 1.417 39.893 38.460 0.026 0.000 1.165 181 Y HN 0.544 nan 8.280 nan 0.000 0.452 182 Q N 5.917 125.363 119.800 -0.590 0.000 2.274 182 Q HA 0.208 4.561 4.340 0.022 0.000 0.256 182 Q C -2.126 173.448 176.000 -0.711 0.000 0.927 182 Q CA -0.685 54.821 55.803 -0.496 0.000 0.939 182 Q CB 1.091 29.648 28.738 -0.300 0.000 1.201 182 Q HN 0.842 nan 8.270 nan 0.000 0.426 183 Y N 7.401 127.427 120.300 -0.456 0.000 2.475 183 Y HA 0.230 4.793 4.550 0.022 0.000 0.343 183 Y C -0.189 175.734 175.900 0.038 0.000 1.068 183 Y CA -0.318 57.694 58.100 -0.145 0.000 1.307 183 Y CB 0.252 38.872 38.460 0.267 0.000 1.097 183 Y HN 0.952 nan 8.280 nan 0.000 0.530 184 M N 0.989 120.472 119.600 -0.195 0.000 7.319 184 M HA -0.347 4.146 4.480 0.022 0.000 0.302 184 M C -0.459 175.866 176.300 0.042 0.000 0.480 184 M CA 1.815 57.060 55.300 -0.093 0.000 1.311 184 M CB -1.055 31.485 32.600 -0.099 0.000 0.421 184 M HN 0.553 nan 8.290 nan 0.000 0.618 185 D N 1.526 121.930 120.400 0.007 0.000 2.561 185 D HA 0.377 5.030 4.640 0.022 0.000 0.232 185 D C -1.176 175.128 176.300 0.007 0.000 1.198 185 D CA 0.367 54.355 54.000 -0.019 0.000 0.826 185 D CB 0.075 40.808 40.800 -0.111 0.000 0.992 185 D HN 0.247 nan 8.370 nan 0.000 0.490 186 D N -0.124 120.274 120.400 -0.004 0.000 2.780 186 D HA 0.416 5.069 4.640 0.022 0.000 0.242 186 D C -1.327 174.739 176.300 -0.390 0.000 1.135 186 D CA -0.589 53.288 54.000 -0.204 0.000 0.859 186 D CB 2.038 42.739 40.800 -0.166 0.000 1.530 186 D HN -0.135 nan 8.370 nan 0.000 0.493 187 L N 3.311 124.210 121.223 -0.541 0.000 2.343 187 L HA 0.448 4.802 4.340 0.022 0.000 0.278 187 L C -1.718 174.795 176.870 -0.595 0.000 0.996 187 L CA -0.576 53.986 54.840 -0.463 0.000 0.831 187 L CB 0.682 42.576 42.059 -0.276 0.000 1.232 187 L HN 0.317 nan 8.230 nan 0.000 0.413 188 Y N 4.193 124.429 120.300 -0.105 0.000 2.328 188 Y HA 0.675 5.239 4.550 0.023 0.000 0.337 188 Y C -0.168 175.669 175.900 -0.105 0.000 1.008 188 Y CA -0.933 57.083 58.100 -0.139 0.000 1.129 188 Y CB 1.683 40.050 38.460 -0.156 0.000 1.185 188 Y HN 0.266 nan 8.280 nan 0.000 0.476 189 V N 1.795 121.738 119.914 0.048 0.000 2.569 189 V HA 0.921 5.054 4.120 0.022 0.000 0.301 189 V C -0.062 176.105 176.094 0.120 0.000 1.044 189 V CA -0.881 61.432 62.300 0.022 0.000 0.874 189 V CB 1.437 33.218 31.823 -0.070 0.000 1.002 189 V HN 0.917 nan 8.190 nan 0.000 0.424 190 G N 2.170 111.042 108.800 0.119 0.000 2.619 190 G HA2 0.889 4.862 3.960 0.022 0.000 0.296 190 G HA3 0.889 4.862 3.960 0.022 0.000 0.296 190 G C -0.734 174.282 174.900 0.193 0.000 1.334 190 G CA -0.041 45.190 45.100 0.219 0.000 0.934 190 G HN 1.207 nan 8.290 nan 0.000 0.476 191 S N -0.993 114.858 115.700 0.250 0.000 2.752 191 S HA 0.633 5.116 4.470 0.022 0.000 0.284 191 S C -1.438 173.229 174.600 0.110 0.000 1.189 191 S CA -0.771 57.534 58.200 0.175 0.000 0.835 191 S CB 2.315 65.660 63.200 0.240 0.000 1.192 191 S HN 0.305 nan 8.310 nan 0.000 0.506 192 D N 1.009 121.460 120.400 0.085 0.000 2.891 192 D HA 0.380 5.033 4.640 0.022 0.000 0.312 192 D C -0.583 175.753 176.300 0.060 0.000 1.354 192 D CA -0.030 54.000 54.000 0.050 0.000 0.838 192 D CB 0.210 41.028 40.800 0.030 0.000 1.117 192 D HN 0.401 nan 8.370 nan 0.000 0.473 193 L N 1.076 122.360 121.223 0.103 0.000 2.325 193 L HA 0.264 4.617 4.340 0.022 0.000 0.279 193 L C 0.855 177.775 176.870 0.083 0.000 1.054 193 L CA -1.118 53.782 54.840 0.099 0.000 0.804 193 L CB 0.950 43.092 42.059 0.139 0.000 1.200 193 L HN -0.005 nan 8.230 nan 0.000 0.436 194 E N 2.196 122.432 120.200 0.060 0.000 2.653 194 E HA -0.097 4.266 4.350 0.022 0.000 0.264 194 E C 0.804 177.445 176.600 0.068 0.000 0.949 194 E CA 0.081 56.509 56.400 0.047 0.000 0.953 194 E CB 0.437 30.160 29.700 0.038 0.000 0.925 194 E HN 0.471 nan 8.360 nan 0.000 0.475 195 I N 3.109 123.707 120.570 0.046 0.000 2.345 195 I HA -0.425 3.758 4.170 0.022 0.000 0.228 195 I C 2.307 178.490 176.117 0.110 0.000 0.960 195 I CA 2.192 63.525 61.300 0.054 0.000 1.262 195 I CB -1.202 36.815 38.000 0.029 0.000 0.969 195 I HN 0.873 nan 8.210 nan 0.000 0.385 196 G N -0.534 108.313 108.800 0.079 0.000 2.469 196 G HA2 -0.299 3.674 3.960 0.022 0.000 0.219 196 G HA3 -0.299 3.674 3.960 0.022 0.000 0.219 196 G C 1.505 176.457 174.900 0.088 0.000 1.150 196 G CA 1.030 46.177 45.100 0.077 0.000 0.763 196 G HN 0.533 nan 8.290 nan 0.000 0.561 197 Q N -0.674 119.175 119.800 0.083 0.000 2.045 197 Q HA -0.214 4.139 4.340 0.022 0.000 0.206 197 Q C 2.167 178.222 176.000 0.093 0.000 0.991 197 Q CA 1.755 57.601 55.803 0.072 0.000 0.851 197 Q CB -0.320 28.458 28.738 0.066 0.000 0.911 197 Q HN 0.758 nan 8.270 nan 0.000 0.418 198 H N 0.589 119.680 119.070 0.035 0.000 2.355 198 H HA -0.221 4.348 4.556 0.022 0.000 0.293 198 H C 2.107 177.461 175.328 0.043 0.000 1.060 198 H CA 2.547 58.620 56.048 0.041 0.000 1.167 198 H CB -0.143 29.643 29.762 0.040 0.000 1.376 198 H HN 0.082 nan 8.280 nan 0.000 0.549 199 R N -0.624 119.993 120.500 0.195 0.000 2.208 199 R HA -0.226 4.127 4.340 0.022 0.000 0.262 199 R C 2.140 178.458 176.300 0.030 0.000 1.166 199 R CA 2.279 58.441 56.100 0.104 0.000 0.987 199 R CB -0.656 29.709 30.300 0.107 0.000 0.887 199 R HN 0.457 nan 8.270 nan 0.000 0.459 200 T N 0.711 115.285 114.554 0.033 0.000 2.614 200 T HA -0.103 4.260 4.350 0.022 0.000 0.263 200 T C 1.605 176.313 174.700 0.013 0.000 1.055 200 T CA 1.350 63.464 62.100 0.023 0.000 1.162 200 T CB -0.106 68.778 68.868 0.028 0.000 0.863 200 T HN 0.195 nan 8.240 nan 0.000 0.414 201 K N 1.038 121.437 120.400 -0.002 0.000 2.089 201 K HA -0.093 4.240 4.320 0.022 0.000 0.210 201 K C 2.204 178.822 176.600 0.031 0.000 1.048 201 K CA 1.033 57.336 56.287 0.025 0.000 0.926 201 K CB -0.815 31.676 32.500 -0.015 0.000 0.714 201 K HN 0.339 nan 8.250 nan 0.000 0.448 202 I N 1.663 122.184 120.570 -0.081 0.000 2.151 202 I HA -0.267 3.917 4.170 0.022 0.000 0.243 202 I C 2.181 178.288 176.117 -0.018 0.000 1.080 202 I CA 1.474 62.722 61.300 -0.088 0.000 1.339 202 I CB -1.030 36.920 38.000 -0.084 0.000 1.039 202 I HN 0.218 nan 8.210 nan 0.000 0.409 203 E N 0.894 121.098 120.200 0.007 0.000 2.051 203 E HA -0.208 4.156 4.350 0.022 0.000 0.192 203 E C 2.094 178.736 176.600 0.069 0.000 0.991 203 E CA 1.049 57.462 56.400 0.022 0.000 0.799 203 E CB -0.219 29.493 29.700 0.020 0.000 0.748 203 E HN 0.561 nan 8.360 nan 0.000 0.449 204 E N 0.595 120.860 120.200 0.108 0.000 2.070 204 E HA -0.222 4.141 4.350 0.022 0.000 0.197 204 E C 2.150 178.948 176.600 0.330 0.000 1.004 204 E CA 0.913 57.419 56.400 0.176 0.000 0.805 204 E CB -0.224 29.563 29.700 0.145 0.000 0.744 204 E HN 0.040 nan 8.360 nan 0.000 0.451 205 L N 1.675 123.106 121.223 0.348 0.000 1.956 205 L HA -0.262 4.092 4.340 0.022 0.000 0.216 205 L C 2.166 179.104 176.870 0.113 0.000 1.073 205 L CA 1.910 56.864 54.840 0.189 0.000 0.762 205 L CB -0.466 41.458 42.059 -0.226 0.000 0.889 205 L HN -0.020 nan 8.230 nan 0.000 0.433 206 R N -1.087 119.431 120.500 0.029 0.000 2.140 206 R HA -0.238 4.115 4.340 0.022 0.000 0.250 206 R C 2.250 178.594 176.300 0.074 0.000 1.150 206 R CA 1.738 57.836 56.100 -0.002 0.000 0.966 206 R CB -0.604 29.661 30.300 -0.057 0.000 0.869 206 R HN 0.524 nan 8.270 nan 0.000 0.445 207 Q N -0.251 119.622 119.800 0.122 0.000 2.079 207 Q HA -0.168 4.185 4.340 0.022 0.000 0.200 207 Q C 1.990 178.129 176.000 0.231 0.000 0.974 207 Q CA 1.657 57.544 55.803 0.142 0.000 0.840 207 Q CB -0.393 28.413 28.738 0.114 0.000 0.898 207 Q HN 0.608 nan 8.270 nan 0.000 0.430 208 H N 0.059 119.256 119.070 0.212 0.000 2.352 208 H HA -0.082 4.487 4.556 0.022 0.000 0.299 208 H C 2.067 177.630 175.328 0.392 0.000 1.097 208 H CA 1.580 57.820 56.048 0.319 0.000 1.311 208 H CB 0.028 30.073 29.762 0.471 0.000 1.377 208 H HN 0.108 nan 8.280 nan 0.000 0.504 209 L N 0.048 121.559 121.223 0.479 0.000 2.005 209 L HA -0.162 4.191 4.340 0.022 0.000 0.207 209 L C 2.680 179.760 176.870 0.350 0.000 1.072 209 L CA 1.176 56.207 54.840 0.317 0.000 0.744 209 L CB -0.514 41.602 42.059 0.095 0.000 0.895 209 L HN 0.358 nan 8.230 nan 0.000 0.433 210 L N 0.127 121.490 121.223 0.235 0.000 2.197 210 L HA -0.273 4.080 4.340 0.022 0.000 0.215 210 L C 2.641 179.638 176.870 0.213 0.000 1.095 210 L CA 1.258 56.214 54.840 0.193 0.000 0.764 210 L CB -0.238 41.895 42.059 0.124 0.000 0.897 210 L HN 0.226 nan 8.230 nan 0.000 0.436 211 R N -0.952 119.699 120.500 0.251 0.000 2.357 211 R HA -0.141 4.213 4.340 0.022 0.000 0.202 211 R C -0.230 176.061 176.300 -0.014 0.000 1.047 211 R CA 0.719 56.859 56.100 0.067 0.000 1.034 211 R CB 0.066 30.314 30.300 -0.086 0.000 0.875 211 R HN 0.468 nan 8.270 nan 0.000 0.473 212 W N -0.982 120.336 121.300 0.030 0.000 1.232 212 W HA 0.412 5.085 4.660 0.022 0.000 0.294 212 W C 0.727 177.287 176.519 0.069 0.000 0.854 212 W CA -0.524 56.844 57.345 0.039 0.000 2.354 212 W CB 0.155 29.637 29.460 0.037 0.000 1.496 212 W HN 0.076 nan 8.180 nan 0.000 0.511 213 G N 0.873 109.831 108.800 0.264 0.000 2.186 213 G HA2 -0.344 3.629 3.960 0.022 0.000 0.266 213 G HA3 -0.344 3.629 3.960 0.022 0.000 0.266 213 G C 0.031 175.070 174.900 0.231 0.000 0.982 213 G CA 0.209 45.438 45.100 0.215 0.000 0.670 213 G HN 0.318 nan 8.290 nan 0.000 0.533 214 L N 0.262 121.629 121.223 0.240 0.000 2.260 214 L HA 0.511 4.864 4.340 0.022 0.000 0.289 214 L C 0.494 177.484 176.870 0.201 0.000 1.057 214 L CA -1.263 53.706 54.840 0.215 0.000 0.811 214 L CB 0.684 42.836 42.059 0.156 0.000 1.184 214 L HN 0.235 nan 8.230 nan 0.000 0.429 215 Y N 3.979 124.348 120.300 0.114 0.000 2.335 215 Y HA 0.581 5.144 4.550 0.022 0.000 0.323 215 Y C 0.074 176.021 175.900 0.078 0.000 1.224 215 Y CA -0.549 57.606 58.100 0.092 0.000 1.241 215 Y CB 1.504 40.016 38.460 0.086 0.000 1.235 215 Y HN 0.622 nan 8.280 nan 0.000 0.492 216 T N 4.216 118.264 114.554 -0.843 0.000 2.889 216 T HA 0.419 4.782 4.350 0.022 0.000 0.315 216 T C -3.134 171.186 174.700 -0.635 0.000 1.291 216 T CA -1.881 59.943 62.100 -0.461 0.000 1.028 216 T CB 1.597 70.331 68.868 -0.224 0.000 1.235 216 T HN 0.478 nan 8.240 nan 0.000 0.491 217 P HA 0.196 nan 4.420 nan 0.000 0.271 217 P C -0.937 176.302 177.300 -0.101 0.000 1.218 217 P CA -0.101 63.014 63.100 0.025 0.000 0.780 217 P CB 0.616 32.411 31.700 0.158 0.000 0.901 218 D N 1.837 122.130 120.400 -0.178 0.000 2.229 218 D HA 0.101 4.754 4.640 0.022 0.000 0.249 218 D C 1.066 177.248 176.300 -0.198 0.000 1.027 218 D CA -0.686 53.175 54.000 -0.232 0.000 0.923 218 D CB 1.376 42.001 40.800 -0.291 0.000 1.174 218 D HN 0.072 nan 8.370 nan 0.000 0.443 219 K N 1.816 122.160 120.400 -0.093 0.000 2.195 219 K HA -0.334 3.999 4.320 0.022 0.000 0.216 219 K C 1.683 178.292 176.600 0.015 0.000 1.039 219 K CA 2.274 58.551 56.287 -0.017 0.000 0.940 219 K CB -0.390 32.109 32.500 -0.002 0.000 0.778 219 K HN 0.574 nan 8.250 nan 0.000 0.475 220 K N -1.168 119.223 120.400 -0.016 0.000 2.288 220 K HA -0.087 4.246 4.320 0.022 0.000 0.201 220 K C 1.602 178.366 176.600 0.272 0.000 1.048 220 K CA 1.346 57.702 56.287 0.114 0.000 0.956 220 K CB -0.068 32.519 32.500 0.145 0.000 0.746 220 K HN 0.578 nan 8.250 nan 0.000 0.461 221 H N -0.479 118.634 119.070 0.070 0.000 2.520 221 H HA 0.071 4.640 4.556 0.022 0.000 0.279 221 H C 0.185 175.567 175.328 0.089 0.000 0.990 221 H CA -0.473 55.622 56.048 0.079 0.000 1.288 221 H CB 0.333 30.148 29.762 0.089 0.000 1.446 221 H HN 0.197 nan 8.280 nan 0.000 0.538 222 Q N 2.095 122.016 119.800 0.203 0.000 2.428 222 Q HA 0.066 4.419 4.340 0.022 0.000 0.276 222 Q C -0.208 175.909 176.000 0.195 0.000 1.059 222 Q CA 0.385 56.295 55.803 0.178 0.000 0.923 222 Q CB 0.948 29.777 28.738 0.152 0.000 1.283 222 Q HN 0.259 nan 8.270 nan 0.000 0.447 223 K N 1.238 121.785 120.400 0.245 0.000 2.138 223 K HA 0.223 4.556 4.320 0.022 0.000 0.251 223 K C -0.188 176.578 176.600 0.277 0.000 1.015 223 K CA -0.341 56.099 56.287 0.255 0.000 0.917 223 K CB 0.669 33.376 32.500 0.346 0.000 1.021 223 K HN 0.409 nan 8.250 nan 0.000 0.485 224 E N 1.067 121.281 120.200 0.023 0.000 2.312 224 E HA 0.329 4.692 4.350 0.022 0.000 0.267 224 E C -2.536 173.589 176.600 -0.793 0.000 0.894 224 E CA -2.291 53.992 56.400 -0.194 0.000 0.773 224 E CB 1.676 31.336 29.700 -0.066 0.000 1.241 224 E HN 0.300 nan 8.360 nan 0.000 0.432 225 P HA 0.015 nan 4.420 nan 0.000 0.267 225 P C -2.161 174.834 177.300 -0.508 0.000 1.201 225 P CA -0.466 62.048 63.100 -0.976 0.000 0.775 225 P CB -0.167 31.320 31.700 -0.355 0.000 0.854 226 P HA 0.212 nan 4.420 nan 0.000 0.277 226 P C -1.099 175.818 177.300 -0.639 0.000 1.276 226 P CA 0.146 62.807 63.100 -0.732 0.000 0.788 226 P CB 0.514 31.634 31.700 -0.967 0.000 1.114 227 F N -0.723 119.155 119.950 -0.120 0.000 2.507 227 F HA 0.373 4.913 4.527 0.022 0.000 0.328 227 F C 0.225 176.070 175.800 0.075 0.000 1.136 227 F CA -0.642 57.350 58.000 -0.012 0.000 0.930 227 F CB 1.292 40.255 39.000 -0.061 0.000 1.166 227 F HN -0.023 nan 8.300 nan 0.000 0.436 228 L N 3.651 125.059 121.223 0.308 0.000 2.261 228 L HA 0.304 4.657 4.340 0.022 0.000 0.289 228 L C -1.087 176.015 176.870 0.387 0.000 1.059 228 L CA -0.255 54.767 54.840 0.303 0.000 0.816 228 L CB 0.565 42.748 42.059 0.206 0.000 1.191 228 L HN 0.723 nan 8.230 nan 0.000 0.431 229 W N 6.463 127.856 121.300 0.154 0.000 3.097 229 W HA 0.435 5.108 4.660 0.021 0.000 0.335 229 W C -0.246 176.375 176.519 0.171 0.000 1.114 229 W CA -0.911 56.479 57.345 0.074 0.000 1.231 229 W CB 1.210 30.607 29.460 -0.105 0.000 1.388 229 W HN 0.329 nan 8.180 nan 0.000 0.485 230 M N 5.550 124.931 119.600 -0.365 0.000 2.333 230 M HA -0.215 4.279 4.480 0.022 0.000 0.199 230 M C 1.076 177.290 176.300 -0.143 0.000 0.376 230 M CA 1.908 56.917 55.300 -0.484 0.000 0.440 230 M CB -2.419 29.464 32.600 -1.195 0.000 1.506 230 M HN 1.596 nan 8.290 nan 0.000 0.889 231 G N -1.614 107.156 108.800 -0.050 0.000 2.159 231 G HA2 -0.301 3.672 3.960 0.022 0.000 0.256 231 G HA3 -0.301 3.672 3.960 0.022 0.000 0.256 231 G C -0.271 174.692 174.900 0.104 0.000 0.977 231 G CA 0.720 45.775 45.100 -0.074 0.000 0.652 231 G HN 0.612 nan 8.290 nan 0.000 0.531 232 Y N -0.639 119.877 120.300 0.359 0.000 2.675 232 Y HA 0.768 5.331 4.550 0.021 0.000 0.328 232 Y C 0.509 176.607 175.900 0.330 0.000 1.092 232 Y CA -1.407 56.937 58.100 0.408 0.000 1.190 232 Y CB 1.117 39.853 38.460 0.461 0.000 1.350 232 Y HN 0.073 nan 8.280 nan 0.000 0.525 233 E N 1.195 121.696 120.200 0.502 0.000 2.185 233 E HA 0.542 4.905 4.350 0.022 0.000 0.261 233 E C -1.918 174.851 176.600 0.283 0.000 0.879 233 E CA -0.364 56.217 56.400 0.301 0.000 0.756 233 E CB 0.811 30.642 29.700 0.219 0.000 1.152 233 E HN 0.490 nan 8.360 nan 0.000 0.416 234 L N 4.840 126.170 121.223 0.177 0.000 2.325 234 L HA 0.492 4.845 4.340 0.022 0.000 0.281 234 L C -0.182 176.709 176.870 0.034 0.000 1.004 234 L CA -0.862 54.091 54.840 0.189 0.000 0.823 234 L CB 1.232 43.410 42.059 0.197 0.000 1.236 234 L HN 0.489 nan 8.230 nan 0.000 0.415 235 H N 2.597 121.811 119.070 0.239 0.000 2.567 235 H HA 0.267 4.836 4.556 0.022 0.000 0.345 235 H C -1.799 173.689 175.328 0.267 0.000 1.169 235 H CA -1.838 54.311 56.048 0.168 0.000 1.227 235 H CB 2.138 31.943 29.762 0.073 0.000 1.607 235 H HN 0.287 nan 8.280 nan 0.000 0.534 236 P HA -0.127 nan 4.420 nan 0.000 0.225 236 P C 0.681 178.171 177.300 0.316 0.000 1.148 236 P CA 1.421 64.648 63.100 0.211 0.000 0.779 236 P CB 0.346 32.117 31.700 0.117 0.000 0.780 237 D N -2.298 118.344 120.400 0.403 0.000 2.514 237 D HA 0.038 4.691 4.640 0.022 0.000 0.225 237 D C 0.321 176.738 176.300 0.195 0.000 1.159 237 D CA 0.161 54.393 54.000 0.386 0.000 0.823 237 D CB 0.219 41.103 40.800 0.140 0.000 1.097 237 D HN 0.211 nan 8.370 nan 0.000 0.519 238 K N -0.691 119.768 120.400 0.099 0.000 2.533 238 K HA 0.582 4.915 4.320 0.022 0.000 0.272 238 K C -1.050 175.526 176.600 -0.041 0.000 0.985 238 K CA -1.069 55.056 56.287 -0.271 0.000 0.876 238 K CB 2.049 34.299 32.500 -0.416 0.000 1.452 238 K HN 0.104 nan 8.250 nan 0.000 0.439 239 W N 0.165 121.297 121.300 -0.280 0.000 3.038 239 W HA 0.785 5.458 4.660 0.022 0.000 0.347 239 W C -1.583 174.976 176.519 0.067 0.000 1.219 239 W CA -0.929 56.399 57.345 -0.028 0.000 1.142 239 W CB 1.302 30.734 29.460 -0.047 0.000 1.484 239 W HN 0.858 nan 8.180 nan 0.000 0.586 240 T N -0.033 114.637 114.554 0.192 0.000 2.636 240 T HA 0.309 4.672 4.350 0.022 0.000 0.298 240 T C -1.441 173.445 174.700 0.309 0.000 1.849 240 T CA -0.211 61.806 62.100 -0.138 0.000 0.963 240 T CB 0.595 69.394 68.868 -0.116 0.000 1.907 240 T HN 0.986 nan 8.240 nan 0.000 0.496 241 V N 1.593 121.584 119.914 0.129 0.000 2.546 241 V HA 0.625 4.758 4.120 0.022 0.000 0.284 241 V C 0.640 176.891 176.094 0.262 0.000 1.050 241 V CA -0.685 61.741 62.300 0.210 0.000 0.981 241 V CB 1.074 32.917 31.823 0.033 0.000 0.990 241 V HN 1.009 nan 8.190 nan 0.000 0.474 242 Q N 5.732 125.719 119.800 0.311 0.000 2.304 242 Q HA 0.116 4.469 4.340 0.022 0.000 0.301 242 Q C -1.979 174.154 176.000 0.221 0.000 1.063 242 Q CA -1.046 54.903 55.803 0.243 0.000 0.947 242 Q CB 0.584 29.448 28.738 0.211 0.000 1.201 242 Q HN 0.760 nan 8.270 nan 0.000 0.389 243 P HA -0.107 nan 4.420 nan 0.000 0.261 243 P C -0.822 176.551 177.300 0.120 0.000 1.165 243 P CA 0.646 63.830 63.100 0.141 0.000 0.759 243 P CB 0.303 32.066 31.700 0.106 0.000 0.772 244 I N 4.394 125.024 120.570 0.100 0.000 2.354 244 I HA 0.169 4.352 4.170 0.022 0.000 0.286 244 I C 0.425 176.562 176.117 0.033 0.000 1.007 244 I CA -0.883 60.460 61.300 0.071 0.000 1.167 244 I CB 1.442 39.483 38.000 0.068 0.000 1.320 244 I HN 0.104 nan 8.210 nan 0.000 0.458 245 V N 8.231 128.167 119.914 0.036 0.000 2.348 245 V HA 0.336 4.469 4.120 0.022 0.000 0.270 245 V C 0.144 176.261 176.094 0.038 0.000 1.037 245 V CA -0.478 61.838 62.300 0.027 0.000 0.872 245 V CB 1.172 33.008 31.823 0.022 0.000 1.002 245 V HN 0.474 nan 8.190 nan 0.000 0.464 246 L N 10.686 131.936 121.223 0.044 0.000 2.385 246 L HA 0.351 4.704 4.340 0.022 0.000 0.285 246 L C -1.512 175.418 176.870 0.099 0.000 1.125 246 L CA -1.518 53.377 54.840 0.092 0.000 0.890 246 L CB 0.702 42.814 42.059 0.088 0.000 1.251 246 L HN 0.550 nan 8.230 nan 0.000 0.445 247 P HA -0.092 nan 4.420 nan 0.000 0.269 247 P C -0.485 176.817 177.300 0.003 0.000 1.200 247 P CA 0.166 63.253 63.100 -0.021 0.000 0.779 247 P CB 1.053 32.668 31.700 -0.141 0.000 0.841 248 E N 1.782 121.949 120.200 -0.055 0.000 2.185 248 E HA 0.325 4.688 4.350 0.022 0.000 0.261 248 E C -0.032 176.497 176.600 -0.119 0.000 0.879 248 E CA -0.443 55.946 56.400 -0.019 0.000 0.756 248 E CB 1.677 31.380 29.700 0.005 0.000 1.152 248 E HN 0.541 nan 8.360 nan 0.000 0.416 249 K N 0.638 120.948 120.400 -0.150 0.000 2.642 249 K HA 0.306 4.639 4.320 0.022 0.000 0.290 249 K C -1.069 175.458 176.600 -0.122 0.000 1.006 249 K CA -0.658 55.499 56.287 -0.217 0.000 0.869 249 K CB 0.511 32.762 32.500 -0.415 0.000 1.499 249 K HN 0.073 nan 8.250 nan 0.000 0.403 250 D N -0.186 120.169 120.400 -0.074 0.000 2.368 250 D HA 0.081 4.735 4.640 0.022 0.000 0.218 250 D C -0.315 176.009 176.300 0.040 0.000 1.112 250 D CA -0.350 53.674 54.000 0.040 0.000 0.834 250 D CB 0.942 41.762 40.800 0.034 0.000 0.953 250 D HN 0.326 nan 8.370 nan 0.000 0.505 251 S N 0.371 116.011 115.700 -0.099 0.000 2.652 251 S HA 0.370 4.853 4.470 0.022 0.000 0.252 251 S C -1.732 172.797 174.600 -0.119 0.000 1.219 251 S CA -0.827 57.350 58.200 -0.039 0.000 1.151 251 S CB -0.100 63.068 63.200 -0.053 0.000 1.080 251 S HN 0.213 nan 8.310 nan 0.000 0.481 252 W N 2.533 123.829 121.300 -0.007 0.000 2.390 252 W HA 0.514 5.189 4.660 0.024 0.000 0.312 252 W C 0.761 177.275 176.519 -0.007 0.000 1.123 252 W CA -0.472 56.868 57.345 -0.007 0.000 1.202 252 W CB 1.555 31.010 29.460 -0.007 0.000 1.251 252 W HN 0.412 nan 8.180 nan 0.000 0.511 253 T N 2.192 116.864 114.554 0.198 0.000 2.859 253 T HA 0.193 4.556 4.350 0.022 0.000 0.281 253 T C 1.142 175.917 174.700 0.125 0.000 1.005 253 T CA -0.587 61.584 62.100 0.117 0.000 1.025 253 T CB 1.172 70.071 68.868 0.052 0.000 0.977 253 T HN 0.290 nan 8.240 nan 0.000 0.458 254 V N 4.925 124.890 119.914 0.085 0.000 2.285 254 V HA -0.299 3.834 4.120 0.022 0.000 0.260 254 V C 2.729 178.864 176.094 0.067 0.000 1.089 254 V CA 2.411 64.749 62.300 0.064 0.000 1.082 254 V CB -0.777 31.069 31.823 0.038 0.000 0.681 254 V HN 0.859 nan 8.190 nan 0.000 0.452 255 N N -0.071 118.664 118.700 0.059 0.000 2.043 255 N HA -0.203 4.550 4.740 0.022 0.000 0.193 255 N C 1.581 177.139 175.510 0.079 0.000 1.037 255 N CA 2.120 55.200 53.050 0.050 0.000 0.851 255 N CB -0.348 38.158 38.487 0.031 0.000 1.027 255 N HN 0.544 nan 8.380 nan 0.000 0.422 256 D N 1.188 121.656 120.400 0.113 0.000 2.106 256 D HA -0.162 4.492 4.640 0.022 0.000 0.191 256 D C 2.168 178.628 176.300 0.266 0.000 0.997 256 D CA 0.867 54.977 54.000 0.183 0.000 0.834 256 D CB -0.546 40.392 40.800 0.231 0.000 0.956 256 D HN 0.385 nan 8.370 nan 0.000 0.448 257 I N 0.913 121.638 120.570 0.258 0.000 2.091 257 I HA -0.351 3.832 4.170 0.022 0.000 0.239 257 I C 2.574 178.735 176.117 0.074 0.000 1.061 257 I CA 1.433 62.816 61.300 0.138 0.000 1.317 257 I CB -0.525 37.513 38.000 0.064 0.000 1.031 257 I HN 0.065 nan 8.210 nan 0.000 0.401 258 Q N 0.721 120.557 119.800 0.059 0.000 2.112 258 Q HA -0.242 4.111 4.340 0.022 0.000 0.206 258 Q C 2.271 178.296 176.000 0.041 0.000 0.987 258 Q CA 1.588 57.412 55.803 0.036 0.000 0.858 258 Q CB -0.186 28.569 28.738 0.027 0.000 0.905 258 Q HN 0.508 nan 8.270 nan 0.000 0.420 259 K N 0.449 120.883 120.400 0.057 0.000 1.985 259 K HA -0.178 4.156 4.320 0.022 0.000 0.210 259 K C 2.203 178.841 176.600 0.064 0.000 1.047 259 K CA 1.135 57.451 56.287 0.049 0.000 0.932 259 K CB -0.498 32.033 32.500 0.052 0.000 0.716 259 K HN 0.126 nan 8.250 nan 0.000 0.439 260 L N 1.745 123.033 121.223 0.108 0.000 1.990 260 L HA -0.209 4.145 4.340 0.022 0.000 0.213 260 L C 2.190 179.092 176.870 0.054 0.000 1.072 260 L CA 1.632 56.538 54.840 0.110 0.000 0.755 260 L CB -0.725 41.429 42.059 0.159 0.000 0.889 260 L HN -0.078 nan 8.230 nan 0.000 0.432 261 V N 0.637 120.568 119.914 0.028 0.000 2.324 261 V HA -0.291 3.842 4.120 0.022 0.000 0.250 261 V C 2.675 178.794 176.094 0.040 0.000 1.060 261 V CA 1.958 64.267 62.300 0.015 0.000 1.042 261 V CB -1.818 30.006 31.823 0.002 0.000 0.650 261 V HN 0.709 nan 8.190 nan 0.000 0.450 262 G N -0.362 108.462 108.800 0.041 0.000 2.459 262 G HA2 -0.280 3.694 3.960 0.022 0.000 0.217 262 G HA3 -0.280 3.694 3.960 0.022 0.000 0.217 262 G C 1.642 176.589 174.900 0.078 0.000 1.183 262 G CA 1.072 46.199 45.100 0.045 0.000 0.776 262 G HN 0.478 nan 8.290 nan 0.000 0.552 263 K N -0.088 120.354 120.400 0.070 0.000 2.032 263 K HA 0.005 4.339 4.320 0.022 0.000 0.209 263 K C 2.575 179.271 176.600 0.160 0.000 1.048 263 K CA 0.962 57.313 56.287 0.108 0.000 0.927 263 K CB -0.396 32.152 32.500 0.079 0.000 0.712 263 K HN 0.259 nan 8.250 nan 0.000 0.441 264 L N 1.389 122.671 121.223 0.099 0.000 2.013 264 L HA -0.274 4.079 4.340 0.022 0.000 0.212 264 L C 2.179 179.115 176.870 0.111 0.000 1.073 264 L CA 1.368 56.253 54.840 0.076 0.000 0.753 264 L CB -0.581 41.496 42.059 0.031 0.000 0.890 264 L HN 0.351 nan 8.230 nan 0.000 0.432 265 N N -0.788 117.990 118.700 0.129 0.000 2.084 265 N HA -0.276 4.477 4.740 0.022 0.000 0.190 265 N C 1.725 177.372 175.510 0.227 0.000 1.030 265 N CA 1.674 54.814 53.050 0.150 0.000 0.849 265 N CB -0.303 38.268 38.487 0.139 0.000 1.012 265 N HN 0.527 nan 8.380 nan 0.000 0.423 266 W N 2.239 123.557 121.300 0.030 0.000 2.290 266 W HA -0.344 4.330 4.660 0.023 0.000 0.318 266 W C 2.273 178.840 176.519 0.080 0.000 1.248 266 W CA 1.742 59.103 57.345 0.026 0.000 1.263 266 W CB -0.105 29.348 29.460 -0.012 0.000 1.147 266 W HN 0.064 nan 8.180 nan 0.000 0.494 267 A N 0.558 123.446 122.820 0.112 0.000 1.865 267 A HA -0.259 4.074 4.320 0.022 0.000 0.217 267 A C 1.910 179.531 177.584 0.062 0.000 1.191 267 A CA 2.538 54.623 52.037 0.081 0.000 0.623 267 A CB -1.413 17.671 19.000 0.140 0.000 0.826 267 A HN 0.346 nan 8.150 nan 0.000 0.444 268 S N 0.497 116.236 115.700 0.065 0.000 2.443 268 S HA -0.355 4.128 4.470 0.022 0.000 0.246 268 S C 1.945 176.539 174.600 -0.009 0.000 1.058 268 S CA 1.945 60.171 58.200 0.043 0.000 1.028 268 S CB -0.648 62.585 63.200 0.055 0.000 0.821 268 S HN 0.903 nan 8.310 nan 0.000 0.484 269 Q N -0.240 119.546 119.800 -0.025 0.000 2.369 269 Q HA 0.092 4.446 4.340 0.022 0.000 0.206 269 Q C 1.784 177.806 176.000 0.035 0.000 0.963 269 Q CA 1.098 56.910 55.803 0.015 0.000 0.894 269 Q CB -0.120 28.649 28.738 0.052 0.000 0.965 269 Q HN 0.612 nan 8.270 nan 0.000 0.475 270 I N -1.729 118.800 120.570 -0.068 0.000 4.578 270 I HA 0.202 4.385 4.170 0.022 0.000 0.312 270 I C -0.689 175.254 176.117 -0.290 0.000 1.224 270 I CA -0.436 60.727 61.300 -0.229 0.000 1.318 270 I CB 0.887 38.601 38.000 -0.478 0.000 1.388 270 I HN -0.033 nan 8.210 nan 0.000 0.461 271 Y N 5.037 125.264 120.300 -0.122 0.000 2.452 271 Y HA 0.452 5.014 4.550 0.020 0.000 0.348 271 Y C -2.170 173.685 175.900 -0.075 0.000 0.985 271 Y CA -2.673 55.369 58.100 -0.097 0.000 1.214 271 Y CB 0.144 38.558 38.460 -0.076 0.000 1.136 271 Y HN 0.094 nan 8.280 nan 0.000 0.523 272 P HA 0.275 nan 4.420 nan 0.000 0.288 272 P C 0.533 177.864 177.300 0.051 0.000 1.267 272 P CA 0.076 63.194 63.100 0.029 0.000 0.815 272 P CB 1.877 33.578 31.700 0.002 0.000 0.989 273 G N 2.445 111.266 108.800 0.035 0.000 2.176 273 G HA2 -0.178 3.795 3.960 0.022 0.000 0.232 273 G HA3 -0.178 3.795 3.960 0.022 0.000 0.232 273 G C 0.242 175.152 174.900 0.017 0.000 0.986 273 G CA -0.454 44.663 45.100 0.027 0.000 0.643 273 G HN 0.453 nan 8.290 nan 0.000 0.522 274 I N 0.834 121.419 120.570 0.025 0.000 2.754 274 I HA 0.311 4.494 4.170 0.022 0.000 0.285 274 I C 0.684 176.805 176.117 0.007 0.000 1.166 274 I CA 0.742 62.046 61.300 0.006 0.000 1.417 274 I CB 0.771 38.780 38.000 0.015 0.000 1.382 274 I HN 0.136 nan 8.210 nan 0.000 0.588 275 K N 4.133 124.528 120.400 -0.008 0.000 2.468 275 K HA 0.473 4.806 4.320 0.022 0.000 0.252 275 K C -0.167 176.421 176.600 -0.021 0.000 0.932 275 K CA -0.552 55.729 56.287 -0.009 0.000 0.794 275 K CB 2.779 35.269 32.500 -0.017 0.000 1.241 275 K HN 0.251 nan 8.250 nan 0.000 0.428 276 V N 1.949 121.854 119.914 -0.015 0.000 3.502 276 V HA 0.022 4.155 4.120 0.022 0.000 0.288 276 V C 1.946 178.021 176.094 -0.033 0.000 1.461 276 V CA 0.105 62.389 62.300 -0.027 0.000 1.029 276 V CB 0.107 31.924 31.823 -0.010 0.000 0.843 276 V HN 0.748 nan 8.190 nan 0.000 0.438 277 R N 0.970 121.455 120.500 -0.025 0.000 2.179 277 R HA -0.300 4.053 4.340 0.022 0.000 0.238 277 R C 2.260 178.535 176.300 -0.041 0.000 1.119 277 R CA 2.615 58.699 56.100 -0.027 0.000 0.915 277 R CB -0.194 30.090 30.300 -0.026 0.000 0.870 277 R HN 0.405 nan 8.270 nan 0.000 0.432 278 Q N 0.472 120.242 119.800 -0.051 0.000 2.096 278 Q HA -0.083 4.270 4.340 0.022 0.000 0.204 278 Q C 1.420 177.369 176.000 -0.084 0.000 0.982 278 Q CA 1.136 56.901 55.803 -0.064 0.000 0.850 278 Q CB -0.416 28.281 28.738 -0.069 0.000 0.901 278 Q HN 0.416 nan 8.270 nan 0.000 0.422 282 L N 1.827 123.022 121.223 -0.047 0.000 2.187 282 L HA -0.126 4.227 4.340 0.022 0.000 0.213 282 L C 1.920 178.776 176.870 -0.022 0.000 1.100 282 L CA 1.331 56.146 54.840 -0.042 0.000 0.765 282 L CB -0.403 41.616 42.059 -0.066 0.000 0.904 282 L HN 0.125 nan 8.230 nan 0.000 0.437 283 L N -0.590 120.622 121.223 -0.019 0.000 2.551 283 L HA -0.044 4.309 4.340 0.022 0.000 0.228 283 L C 1.027 177.894 176.870 -0.005 0.000 1.153 283 L CA 0.158 54.993 54.840 -0.007 0.000 0.851 283 L CB -0.520 41.535 42.059 -0.006 0.000 0.959 283 L HN 0.152 nan 8.230 nan 0.000 0.451 284 R N 0.395 120.890 120.500 -0.009 0.000 2.522 284 R HA 0.184 4.537 4.340 0.022 0.000 0.284 284 R C 1.382 177.680 176.300 -0.003 0.000 1.032 284 R CA 0.633 56.729 56.100 -0.006 0.000 1.049 284 R CB -0.006 30.288 30.300 -0.009 0.000 0.956 284 R HN 0.253 nan 8.270 nan 0.000 0.422 285 G N 2.003 110.803 108.800 -0.001 0.000 2.205 285 G HA2 -0.384 3.589 3.960 0.022 0.000 0.269 285 G HA3 -0.384 3.589 3.960 0.022 0.000 0.269 285 G C 0.456 175.358 174.900 0.003 0.000 0.977 285 G CA 0.860 45.960 45.100 0.000 0.000 0.652 285 G HN 0.812 nan 8.290 nan 0.000 0.539 286 T N -1.473 113.084 114.554 0.004 0.000 2.898 286 T HA 0.322 4.686 4.350 0.022 0.000 0.331 286 T C 1.260 175.964 174.700 0.007 0.000 1.085 286 T CA 1.087 63.191 62.100 0.007 0.000 1.129 286 T CB 1.006 69.879 68.868 0.010 0.000 1.054 286 T HN 0.961 nan 8.240 nan 0.000 0.540 287 K N -0.173 120.231 120.400 0.008 0.000 2.450 287 K HA 0.611 4.944 4.320 0.022 0.000 0.206 287 K C 0.268 176.871 176.600 0.007 0.000 1.148 287 K CA -0.289 56.002 56.287 0.006 0.000 1.014 287 K CB 0.811 33.315 32.500 0.006 0.000 0.966 287 K HN 0.768 nan 8.250 nan 0.000 0.566 288 A N 0.950 123.775 122.820 0.009 0.000 2.589 288 A HA 0.416 4.749 4.320 0.022 0.000 0.296 288 A C 0.227 177.818 177.584 0.012 0.000 1.062 288 A CA -0.828 51.214 52.037 0.008 0.000 0.686 288 A CB 0.793 19.797 19.000 0.007 0.000 1.282 288 A HN 0.124 nan 8.150 nan 0.000 0.404 289 L N 0.622 121.851 121.223 0.011 0.000 2.187 289 L HA -0.128 4.225 4.340 0.022 0.000 0.213 289 L C 2.328 179.209 176.870 0.018 0.000 1.100 289 L CA 2.006 56.854 54.840 0.014 0.000 0.765 289 L CB -0.545 41.520 42.059 0.009 0.000 0.904 289 L HN 0.938 nan 8.230 nan 0.000 0.437 290 T N -3.820 110.742 114.554 0.013 0.000 3.188 290 T HA 0.039 4.402 4.350 0.022 0.000 0.250 290 T C 0.535 175.245 174.700 0.017 0.000 1.077 290 T CA -0.353 61.755 62.100 0.013 0.000 0.967 290 T CB -0.152 68.719 68.868 0.005 0.000 1.006 290 T HN 0.280 nan 8.240 nan 0.000 0.552 291 E N 1.421 121.634 120.200 0.022 0.000 2.338 291 E HA 0.314 4.677 4.350 0.022 0.000 0.272 291 E C -0.958 175.665 176.600 0.038 0.000 1.029 291 E CA -0.561 55.854 56.400 0.024 0.000 0.872 291 E CB 0.923 30.636 29.700 0.021 0.000 1.015 291 E HN 0.099 nan 8.360 nan 0.000 0.417 292 V N 6.446 126.383 119.914 0.039 0.000 2.364 292 V HA 0.185 4.318 4.120 0.022 0.000 0.272 292 V C -0.006 176.125 176.094 0.062 0.000 1.036 292 V CA -0.616 61.720 62.300 0.059 0.000 0.880 292 V CB 0.883 32.736 31.823 0.050 0.000 0.991 292 V HN 0.577 nan 8.190 nan 0.000 0.460 293 I N 7.922 128.541 120.570 0.082 0.000 2.339 293 I HA 0.407 4.590 4.170 0.022 0.000 0.290 293 I C -2.003 174.159 176.117 0.075 0.000 0.994 293 I CA -2.799 58.537 61.300 0.059 0.000 1.191 293 I CB 1.452 39.474 38.000 0.037 0.000 1.343 293 I HN 0.412 nan 8.210 nan 0.000 0.458 294 P HA 0.246 nan 4.420 nan 0.000 0.275 294 P C -0.330 176.981 177.300 0.018 0.000 1.227 294 P CA -0.473 62.663 63.100 0.061 0.000 0.781 294 P CB 1.244 32.970 31.700 0.043 0.000 0.906 295 L N 2.378 123.604 121.223 0.006 0.000 2.456 295 L HA 0.106 4.459 4.340 0.022 0.000 0.272 295 L C 1.693 178.536 176.870 -0.046 0.000 1.189 295 L CA 0.124 54.919 54.840 -0.075 0.000 0.846 295 L CB 0.197 42.182 42.059 -0.123 0.000 1.111 295 L HN 0.538 nan 8.230 nan 0.000 0.475 296 T N -1.637 112.880 114.554 -0.061 0.000 2.824 296 T HA 0.079 4.442 4.350 0.022 0.000 0.277 296 T C 0.907 175.582 174.700 -0.042 0.000 0.975 296 T CA -0.601 61.475 62.100 -0.041 0.000 0.966 296 T CB 1.287 70.130 68.868 -0.042 0.000 1.054 296 T HN 0.721 nan 8.240 nan 0.000 0.533 297 E N 0.006 120.188 120.200 -0.030 0.000 2.110 297 E HA -0.181 4.182 4.350 0.022 0.000 0.193 297 E C 1.782 178.361 176.600 -0.036 0.000 0.988 297 E CA 1.198 57.582 56.400 -0.027 0.000 0.804 297 E CB -0.051 29.638 29.700 -0.019 0.000 0.745 297 E HN 0.722 nan 8.360 nan 0.000 0.458 298 E N 0.450 120.625 120.200 -0.041 0.000 2.072 298 E HA -0.113 4.251 4.350 0.022 0.000 0.191 298 E C 1.795 178.357 176.600 -0.064 0.000 0.985 298 E CA 1.151 57.524 56.400 -0.046 0.000 0.801 298 E CB -0.381 29.294 29.700 -0.042 0.000 0.750 298 E HN 0.382 nan 8.360 nan 0.000 0.452 299 A N 1.433 124.203 122.820 -0.082 0.000 1.851 299 A HA -0.258 4.075 4.320 0.022 0.000 0.216 299 A C 2.046 179.552 177.584 -0.130 0.000 1.195 299 A CA 1.710 53.672 52.037 -0.125 0.000 0.622 299 A CB -0.549 18.357 19.000 -0.158 0.000 0.831 299 A HN 0.100 nan 8.150 nan 0.000 0.444 300 E N -0.555 119.584 120.200 -0.101 0.000 2.065 300 E HA -0.225 4.138 4.350 0.022 0.000 0.201 300 E C 1.988 178.552 176.600 -0.059 0.000 1.016 300 E CA 1.388 57.744 56.400 -0.074 0.000 0.818 300 E CB -0.677 29.002 29.700 -0.036 0.000 0.749 300 E HN 0.457 nan 8.360 nan 0.000 0.453 301 L N 1.546 122.739 121.223 -0.050 0.000 1.989 301 L HA -0.215 4.138 4.340 0.022 0.000 0.211 301 L C 2.389 179.231 176.870 -0.047 0.000 1.071 301 L CA 2.146 56.962 54.840 -0.039 0.000 0.749 301 L CB -0.668 41.371 42.059 -0.034 0.000 0.890 301 L HN 0.168 nan 8.230 nan 0.000 0.431 302 E N -0.673 119.490 120.200 -0.061 0.000 2.023 302 E HA -0.279 4.084 4.350 0.022 0.000 0.196 302 E C 2.371 178.927 176.600 -0.073 0.000 1.003 302 E CA 1.815 58.175 56.400 -0.065 0.000 0.809 302 E CB -0.401 29.253 29.700 -0.076 0.000 0.755 302 E HN 0.524 nan 8.360 nan 0.000 0.449 303 L N 0.431 121.593 121.223 -0.101 0.000 1.990 303 L HA -0.272 4.082 4.340 0.022 0.000 0.213 303 L C 2.518 179.356 176.870 -0.054 0.000 1.072 303 L CA 1.850 56.629 54.840 -0.102 0.000 0.755 303 L CB -0.506 41.458 42.059 -0.157 0.000 0.889 303 L HN 0.300 nan 8.230 nan 0.000 0.432 304 A N -0.479 122.317 122.820 -0.040 0.000 1.869 304 A HA -0.322 4.011 4.320 0.022 0.000 0.218 304 A C 2.190 179.757 177.584 -0.027 0.000 1.203 304 A CA 2.141 54.166 52.037 -0.020 0.000 0.638 304 A CB -0.948 18.043 19.000 -0.016 0.000 0.831 304 A HN 0.577 nan 8.150 nan 0.000 0.450 305 E N 0.447 120.628 120.200 -0.033 0.000 2.070 305 E HA -0.212 4.151 4.350 0.022 0.000 0.197 305 E C 1.817 178.391 176.600 -0.043 0.000 1.004 305 E CA 1.616 57.996 56.400 -0.033 0.000 0.805 305 E CB -0.458 29.223 29.700 -0.032 0.000 0.744 305 E HN 0.611 nan 8.360 nan 0.000 0.451 306 N N 0.458 119.127 118.700 -0.052 0.000 2.223 306 N HA -0.121 4.633 4.740 0.022 0.000 0.185 306 N C 1.932 177.393 175.510 -0.082 0.000 1.016 306 N CA 0.637 53.644 53.050 -0.071 0.000 0.863 306 N CB -0.298 38.148 38.487 -0.069 0.000 0.983 306 N HN 0.165 nan 8.380 nan 0.000 0.429 307 R N 0.857 121.325 120.500 -0.053 0.000 2.091 307 R HA -0.072 4.281 4.340 0.022 0.000 0.238 307 R C 1.760 178.027 176.300 -0.055 0.000 1.136 307 R CA 1.038 57.112 56.100 -0.042 0.000 0.959 307 R CB 0.060 30.353 30.300 -0.012 0.000 0.856 307 R HN 0.174 nan 8.270 nan 0.000 0.437 308 E N 0.526 120.698 120.200 -0.045 0.000 2.047 308 E HA -0.158 4.205 4.350 0.022 0.000 0.191 308 E C 2.048 178.618 176.600 -0.051 0.000 0.987 308 E CA 1.003 57.381 56.400 -0.038 0.000 0.799 308 E CB -0.197 29.488 29.700 -0.025 0.000 0.752 308 E HN 0.367 nan 8.360 nan 0.000 0.449 309 I N 0.952 121.480 120.570 -0.070 0.000 2.099 309 I HA -0.300 3.883 4.170 0.022 0.000 0.239 309 I C 2.466 178.475 176.117 -0.180 0.000 1.066 309 I CA 1.050 62.303 61.300 -0.078 0.000 1.324 309 I CB -0.323 37.627 38.000 -0.083 0.000 1.037 309 I HN 0.080 nan 8.210 nan 0.000 0.401 310 L N 0.656 121.686 121.223 -0.323 0.000 2.127 310 L HA -0.260 4.093 4.340 0.022 0.000 0.211 310 L C 2.662 179.417 176.870 -0.193 0.000 1.089 310 L CA 1.223 55.788 54.840 -0.458 0.000 0.757 310 L CB -0.835 41.025 42.059 -0.332 0.000 0.899 310 L HN 0.356 nan 8.230 nan 0.000 0.434 311 K N 1.579 121.922 120.400 -0.096 0.000 2.074 311 K HA -0.171 4.162 4.320 0.022 0.000 0.209 311 K C 0.215 176.820 176.600 0.009 0.000 1.048 311 K CA 1.318 57.586 56.287 -0.031 0.000 0.926 311 K CB -0.024 32.463 32.500 -0.021 0.000 0.713 311 K HN 0.374 nan 8.250 nan 0.000 0.444 312 E N 1.875 122.093 120.200 0.030 0.000 2.167 312 E HA 0.214 4.577 4.350 0.022 0.000 0.284 312 E C -2.405 174.283 176.600 0.146 0.000 1.016 312 E CA -2.235 54.204 56.400 0.065 0.000 0.817 312 E CB 1.320 31.048 29.700 0.046 0.000 1.080 312 E HN 0.156 nan 8.360 nan 0.000 0.397 313 P HA 0.002 nan 4.420 nan 0.000 0.267 313 P C -0.979 176.333 177.300 0.021 0.000 1.205 313 P CA -0.023 63.159 63.100 0.136 0.000 0.765 313 P CB 0.714 32.470 31.700 0.093 0.000 0.828 314 V N 3.851 123.687 119.914 -0.129 0.000 2.960 314 V HA 0.668 4.801 4.120 0.022 0.000 0.315 314 V C -0.961 174.868 176.094 -0.441 0.000 1.087 314 V CA -0.470 61.593 62.300 -0.395 0.000 0.982 314 V CB 1.946 33.401 31.823 -0.613 0.000 1.039 314 V HN 0.829 nan 8.190 nan 0.000 0.437 315 H N 1.165 119.983 119.070 -0.420 0.000 2.974 315 H HA 0.763 5.333 4.556 0.023 0.000 0.366 315 H C -0.293 174.645 175.328 -0.649 0.000 1.155 315 H CA -0.244 55.490 56.048 -0.522 0.000 1.186 315 H CB 1.223 30.785 29.762 -0.333 0.000 1.799 315 H HN 0.817 nan 8.280 nan 0.000 0.541 316 G N 1.272 109.468 108.800 -1.006 0.000 2.476 316 G HA2 0.452 4.425 3.960 0.022 0.000 0.269 316 G HA3 0.452 4.425 3.960 0.022 0.000 0.269 316 G C -0.676 173.998 174.900 -0.375 0.000 1.195 316 G CA -0.340 44.178 45.100 -0.971 0.000 0.843 316 G HN 0.607 nan 8.290 nan 0.000 0.545 317 V N 0.649 120.606 119.914 0.071 0.000 3.336 317 V HA 0.672 4.806 4.120 0.022 0.000 0.314 317 V C -0.634 175.562 176.094 0.172 0.000 1.088 317 V CA -0.790 61.544 62.300 0.057 0.000 1.033 317 V CB 1.471 33.348 31.823 0.089 0.000 1.181 317 V HN 0.584 nan 8.190 nan 0.000 0.449 318 Y N 0.434 120.913 120.300 0.298 0.000 2.545 318 Y HA 0.396 4.959 4.550 0.023 0.000 0.324 318 Y C -0.246 175.784 175.900 0.217 0.000 1.220 318 Y CA -0.876 57.372 58.100 0.247 0.000 1.290 318 Y CB 0.644 39.203 38.460 0.165 0.000 1.355 318 Y HN 0.588 nan 8.280 nan 0.000 0.516 319 Y N 1.548 122.019 120.300 0.285 0.000 2.335 319 Y HA 0.206 4.769 4.550 0.021 0.000 0.331 319 Y C -0.386 175.546 175.900 0.053 0.000 1.094 319 Y CA -0.441 57.719 58.100 0.100 0.000 1.253 319 Y CB 0.578 39.141 38.460 0.172 0.000 1.203 319 Y HN 0.541 nan 8.280 nan 0.000 0.508 320 D N 8.782 128.917 120.400 -0.443 0.000 2.462 320 D HA 0.295 4.948 4.640 0.022 0.000 0.249 320 D C -2.213 173.629 176.300 -0.762 0.000 1.117 320 D CA -2.735 50.990 54.000 -0.457 0.000 0.900 320 D CB 1.638 42.322 40.800 -0.193 0.000 1.039 320 D HN 0.304 nan 8.370 nan 0.000 0.516 321 P HA -0.139 nan 4.420 nan 0.000 0.221 321 P C 0.942 178.071 177.300 -0.286 0.000 1.141 321 P CA 0.936 63.620 63.100 -0.692 0.000 0.794 321 P CB 0.403 31.882 31.700 -0.369 0.000 0.764 322 S N -0.803 114.753 115.700 -0.240 0.000 2.335 322 S HA -0.062 4.421 4.470 0.022 0.000 0.216 322 S C 0.961 175.497 174.600 -0.106 0.000 1.032 322 S CA 1.004 59.126 58.200 -0.129 0.000 1.000 322 S CB -0.525 62.613 63.200 -0.103 0.000 0.928 322 S HN 0.232 nan 8.310 nan 0.000 0.434 323 K N 1.986 122.315 120.400 -0.118 0.000 2.230 323 K HA 0.171 4.504 4.320 0.022 0.000 0.253 323 K C -0.307 176.246 176.600 -0.077 0.000 1.008 323 K CA -0.139 56.099 56.287 -0.082 0.000 0.910 323 K CB 0.192 32.651 32.500 -0.069 0.000 0.994 323 K HN 0.237 nan 8.250 nan 0.000 0.495 324 D N 0.751 121.113 120.400 -0.064 0.000 2.398 324 D HA 0.200 4.853 4.640 0.022 0.000 0.247 324 D C -0.076 176.143 176.300 -0.135 0.000 1.227 324 D CA -0.075 53.879 54.000 -0.078 0.000 0.980 324 D CB 0.745 41.499 40.800 -0.077 0.000 1.106 324 D HN 0.171 nan 8.370 nan 0.000 0.493 325 L N 1.421 122.526 121.223 -0.198 0.000 2.322 325 L HA 0.387 4.740 4.340 0.022 0.000 0.281 325 L C -0.484 176.137 176.870 -0.415 0.000 1.014 325 L CA -0.668 53.960 54.840 -0.354 0.000 0.815 325 L CB 1.433 43.244 42.059 -0.413 0.000 1.247 325 L HN 0.118 nan 8.230 nan 0.000 0.421 326 I N 2.707 122.924 120.570 -0.588 0.000 2.545 326 I HA 0.586 4.769 4.170 0.022 0.000 0.292 326 I C -0.099 175.492 176.117 -0.877 0.000 1.040 326 I CA -0.542 60.326 61.300 -0.720 0.000 1.068 326 I CB 1.893 39.387 38.000 -0.843 0.000 1.251 326 I HN 0.561 nan 8.210 nan 0.000 0.424 327 A N 5.098 127.471 122.820 -0.744 0.000 2.343 327 A HA 0.717 5.050 4.320 0.022 0.000 0.316 327 A C -0.622 176.752 177.584 -0.349 0.000 1.104 327 A CA -0.538 51.142 52.037 -0.596 0.000 0.768 327 A CB 1.569 20.045 19.000 -0.874 0.000 1.213 327 A HN 0.764 nan 8.150 nan 0.000 0.456 328 E N 1.934 122.041 120.200 -0.156 0.000 2.210 328 E HA 0.647 5.010 4.350 0.022 0.000 0.266 328 E C -1.296 175.373 176.600 0.115 0.000 0.883 328 E CA -0.409 55.985 56.400 -0.010 0.000 0.761 328 E CB 1.467 31.164 29.700 -0.005 0.000 1.156 328 E HN 0.656 nan 8.360 nan 0.000 0.412 329 I N 2.877 123.533 120.570 0.143 0.000 2.603 329 I HA 0.362 4.545 4.170 0.022 0.000 0.300 329 I C -0.791 175.468 176.117 0.237 0.000 1.017 329 I CA -0.885 60.539 61.300 0.207 0.000 1.098 329 I CB 1.913 39.999 38.000 0.143 0.000 1.279 329 I HN 0.441 nan 8.210 nan 0.000 0.437 330 Q N 3.660 123.642 119.800 0.303 0.000 2.345 330 Q HA 0.366 4.719 4.340 0.022 0.000 0.275 330 Q C -0.994 175.161 176.000 0.259 0.000 1.063 330 Q CA -0.863 55.088 55.803 0.248 0.000 0.819 330 Q CB 2.496 31.322 28.738 0.147 0.000 1.356 330 Q HN 0.354 nan 8.270 nan 0.000 0.418 331 K N 1.805 122.221 120.400 0.027 0.000 2.267 331 K HA 0.124 4.457 4.320 0.022 0.000 0.282 331 K C -0.141 176.311 176.600 -0.247 0.000 1.078 331 K CA -0.042 55.968 56.287 -0.462 0.000 0.903 331 K CB 0.578 32.611 32.500 -0.777 0.000 1.111 331 K HN 0.729 nan 8.250 nan 0.000 0.475 332 Q N 2.558 122.246 119.800 -0.187 0.000 2.201 332 Q HA 0.289 4.642 4.340 0.022 0.000 0.217 332 Q C 0.095 176.021 176.000 -0.123 0.000 0.860 332 Q CA -0.467 55.278 55.803 -0.096 0.000 0.984 332 Q CB 0.873 29.600 28.738 -0.018 0.000 1.095 332 Q HN 0.669 nan 8.270 nan 0.000 0.477 333 G N 0.241 108.912 108.800 -0.215 0.000 2.339 333 G HA2 -0.041 3.932 3.960 0.022 0.000 0.302 333 G HA3 -0.041 3.932 3.960 0.022 0.000 0.302 333 G C -2.004 172.754 174.900 -0.237 0.000 1.425 333 G CA -1.074 43.925 45.100 -0.169 0.000 0.899 333 G HN 0.191 nan 8.290 nan 0.000 0.619 334 Q N 0.067 119.774 119.800 -0.155 0.000 2.247 334 Q HA 0.402 4.755 4.340 0.022 0.000 0.288 334 Q C 1.438 177.377 176.000 -0.102 0.000 1.079 334 Q CA 1.494 57.215 55.803 -0.137 0.000 0.932 334 Q CB 0.010 28.694 28.738 -0.090 0.000 1.133 334 Q HN 2.438 nan 8.270 nan 0.000 0.377 335 G N 3.322 112.074 108.800 -0.081 0.000 2.203 335 G HA2 -0.333 3.640 3.960 0.022 0.000 0.263 335 G HA3 -0.333 3.640 3.960 0.022 0.000 0.263 335 G C -0.163 174.801 174.900 0.107 0.000 1.012 335 G CA 0.773 45.931 45.100 0.098 0.000 0.749 335 G HN 0.609 nan 8.290 nan 0.000 0.512 336 Q N -1.056 118.639 119.800 -0.174 0.000 2.310 336 Q HA 0.664 5.017 4.340 0.022 0.000 0.270 336 Q C -0.947 174.909 176.000 -0.241 0.000 1.025 336 Q CA -0.806 54.965 55.803 -0.054 0.000 0.772 336 Q CB 1.105 29.809 28.738 -0.055 0.000 1.253 336 Q HN 0.351 nan 8.270 nan 0.000 0.450 337 W N 1.236 122.631 121.300 0.158 0.000 2.962 337 W HA 0.723 5.401 4.660 0.030 0.000 0.341 337 W C -0.546 176.087 176.519 0.190 0.000 1.155 337 W CA -0.686 56.748 57.345 0.148 0.000 1.165 337 W CB 1.717 31.248 29.460 0.119 0.000 1.435 337 W HN 0.589 nan 8.180 nan 0.000 0.546 338 T N -0.881 113.923 114.554 0.417 0.000 2.906 338 T HA 0.848 5.211 4.350 0.022 0.000 0.295 338 T C -1.293 173.617 174.700 0.349 0.000 1.075 338 T CA -0.799 61.477 62.100 0.293 0.000 1.005 338 T CB 2.126 71.080 68.868 0.143 0.000 1.136 338 T HN 0.661 nan 8.240 nan 0.000 0.498 339 Y N -1.081 119.297 120.300 0.131 0.000 2.670 339 Y HA 0.764 5.326 4.550 0.019 0.000 0.334 339 Y C -1.699 174.237 175.900 0.060 0.000 1.185 339 Y CA -1.329 56.822 58.100 0.085 0.000 1.053 339 Y CB 1.481 39.985 38.460 0.073 0.000 1.298 339 Y HN 0.843 nan 8.280 nan 0.000 0.459 340 Q N 2.137 122.028 119.800 0.152 0.000 2.320 340 Q HA 0.535 4.888 4.340 0.022 0.000 0.272 340 Q C -1.973 174.030 176.000 0.005 0.000 1.023 340 Q CA -0.704 55.132 55.803 0.055 0.000 0.855 340 Q CB 2.884 31.651 28.738 0.048 0.000 1.367 340 Q HN 0.913 nan 8.270 nan 0.000 0.406 341 I N 3.448 124.022 120.570 0.008 0.000 2.355 341 I HA 0.493 4.676 4.170 0.022 0.000 0.288 341 I C -1.016 175.008 176.117 -0.154 0.000 0.999 341 I CA -0.828 60.357 61.300 -0.192 0.000 1.163 341 I CB 0.783 38.734 38.000 -0.081 0.000 1.316 341 I HN 0.624 nan 8.210 nan 0.000 0.454 342 Y N 3.270 123.449 120.300 -0.201 0.000 2.638 342 Y HA 0.592 5.154 4.550 0.019 0.000 0.339 342 Y C 0.010 175.789 175.900 -0.201 0.000 1.084 342 Y CA -1.010 56.987 58.100 -0.172 0.000 1.068 342 Y CB 1.063 39.428 38.460 -0.158 0.000 1.294 342 Y HN 0.451 nan 8.280 nan 0.000 0.480 343 Q N -0.031 119.841 119.800 0.119 0.000 2.532 343 Q HA 0.149 4.502 4.340 0.022 0.000 0.247 343 Q C -0.525 175.572 176.000 0.163 0.000 0.872 343 Q CA 0.079 55.901 55.803 0.031 0.000 0.963 343 Q CB 0.989 29.703 28.738 -0.039 0.000 1.159 343 Q HN 0.762 nan 8.270 nan 0.000 0.598 344 E N 2.254 122.544 120.200 0.149 0.000 2.174 344 E HA 0.190 4.553 4.350 0.022 0.000 0.282 344 E C -2.530 174.086 176.600 0.026 0.000 0.992 344 E CA -2.591 53.858 56.400 0.081 0.000 0.803 344 E CB 1.112 30.833 29.700 0.036 0.000 1.090 344 E HN -0.207 nan 8.360 nan 0.000 0.396 345 P HA -0.184 nan 4.420 nan 0.000 0.240 345 P C -0.752 176.452 177.300 -0.161 0.000 1.079 345 P CA 0.950 63.959 63.100 -0.151 0.000 0.839 345 P CB -0.214 31.524 31.700 0.064 0.000 0.750 346 F N 0.490 119.683 119.950 -1.261 0.000 2.987 346 F HA -0.282 4.255 4.527 0.017 0.000 0.309 346 F C 1.139 176.734 175.800 -0.341 0.000 0.724 346 F CA 0.968 58.507 58.000 -0.767 0.000 1.079 346 F CB -1.798 36.939 39.000 -0.438 0.000 1.432 346 F HN 0.328 nan 8.300 nan 0.000 0.351 347 K N 1.967 122.302 120.400 -0.107 0.000 2.150 347 K HA 0.122 4.455 4.320 0.022 0.000 0.261 347 K C 0.271 176.912 176.600 0.068 0.000 1.127 347 K CA -0.274 56.010 56.287 -0.005 0.000 0.989 347 K CB 0.014 32.522 32.500 0.013 0.000 1.475 347 K HN 0.037 nan 8.250 nan 0.000 0.391 348 N N 2.672 121.405 118.700 0.056 0.000 2.407 348 N HA -0.051 4.702 4.740 0.022 0.000 0.250 348 N C 1.018 176.608 175.510 0.134 0.000 1.236 348 N CA 0.227 53.343 53.050 0.110 0.000 0.879 348 N CB 0.801 39.313 38.487 0.042 0.000 1.088 348 N HN 0.413 nan 8.380 nan 0.000 0.450 349 L N 1.202 122.533 121.223 0.180 0.000 2.316 349 L HA 0.225 4.578 4.340 0.022 0.000 0.207 349 L C 0.993 178.147 176.870 0.473 0.000 1.070 349 L CA 0.816 55.837 54.840 0.302 0.000 0.820 349 L CB 0.078 42.226 42.059 0.149 0.000 0.992 349 L HN 0.527 nan 8.230 nan 0.000 0.466 350 K N -1.068 119.522 120.400 0.316 0.000 2.607 350 K HA 0.394 4.727 4.320 0.022 0.000 0.287 350 K C -1.289 175.385 176.600 0.123 0.000 0.996 350 K CA -0.276 56.204 56.287 0.322 0.000 0.876 350 K CB 1.829 34.535 32.500 0.345 0.000 1.496 350 K HN -0.046 nan 8.250 nan 0.000 0.415 351 T N -1.482 113.077 114.554 0.008 0.000 2.831 351 T HA 0.937 5.300 4.350 0.022 0.000 0.287 351 T C -0.051 174.346 174.700 -0.506 0.000 1.070 351 T CA -0.289 61.677 62.100 -0.223 0.000 1.010 351 T CB 1.946 70.723 68.868 -0.152 0.000 1.264 351 T HN 0.870 nan 8.240 nan 0.000 0.532 352 G N -0.061 108.211 108.800 -0.881 0.000 2.338 352 G HA2 0.522 4.495 3.960 0.022 0.000 0.295 352 G HA3 0.522 4.495 3.960 0.022 0.000 0.295 352 G C -2.048 172.548 174.900 -0.507 0.000 1.461 352 G CA -0.999 43.617 45.100 -0.805 0.000 0.817 352 G HN 0.815 nan 8.290 nan 0.000 0.556 353 K N -1.232 119.213 120.400 0.075 0.000 2.331 353 K HA 0.765 5.098 4.320 0.022 0.000 0.238 353 K C -1.825 175.079 176.600 0.508 0.000 1.058 353 K CA -1.006 55.459 56.287 0.297 0.000 0.871 353 K CB 2.557 35.169 32.500 0.186 0.000 1.292 353 K HN 0.583 nan 8.250 nan 0.000 0.470 354 Y N -0.568 119.919 120.300 0.311 0.000 2.313 354 Y HA 0.437 5.000 4.550 0.022 0.000 0.320 354 Y C -1.395 174.667 175.900 0.272 0.000 1.171 354 Y CA -0.567 57.681 58.100 0.247 0.000 1.093 354 Y CB 1.470 40.032 38.460 0.169 0.000 1.224 354 Y HN 0.622 nan 8.280 nan 0.000 0.421 355 A N 5.580 128.426 122.820 0.044 0.000 2.571 355 A HA 0.280 4.614 4.320 0.022 0.000 0.274 355 A C 0.464 178.008 177.584 -0.066 0.000 1.196 355 A CA -0.500 51.596 52.037 0.097 0.000 0.957 355 A CB 0.016 19.052 19.000 0.060 0.000 1.150 355 A HN 0.618 nan 8.150 nan 0.000 0.539 356 R N 0.696 120.903 120.500 -0.489 0.000 2.457 356 R HA 0.175 4.529 4.340 0.022 0.000 0.335 356 R C -0.181 176.100 176.300 -0.032 0.000 1.003 356 R CA 0.022 55.873 56.100 -0.416 0.000 1.003 356 R CB -0.115 29.678 30.300 -0.844 0.000 0.950 356 R HN 0.284 nan 8.270 nan 0.000 0.428 357 M N 5.905 125.511 119.600 0.009 0.000 2.435 357 M HA 0.196 4.690 4.480 0.022 0.000 0.344 357 M C -0.718 175.607 176.300 0.041 0.000 1.329 357 M CA 0.124 55.461 55.300 0.061 0.000 1.320 357 M CB 0.405 33.028 32.600 0.039 0.000 1.309 357 M HN 0.376 nan 8.290 nan 0.000 0.451 358 R N 3.982 124.524 120.500 0.070 0.000 2.272 358 R HA 0.606 4.959 4.340 0.022 0.000 0.334 358 R C 0.197 176.534 176.300 0.062 0.000 1.117 358 R CA 0.169 56.307 56.100 0.063 0.000 0.966 358 R CB -0.186 30.167 30.300 0.087 0.000 1.049 358 R HN 0.987 nan 8.270 nan 0.000 0.477 359 G N 1.102 109.923 108.800 0.035 0.000 2.650 359 G HA2 -0.105 3.868 3.960 0.022 0.000 0.686 359 G HA3 -0.105 3.868 3.960 0.022 0.000 0.686 359 G C 0.414 175.273 174.900 -0.068 0.000 1.205 359 G CA -0.479 44.630 45.100 0.015 0.000 0.781 359 G HN 0.521 nan 8.290 nan 0.000 0.648 360 A N 0.993 123.683 122.820 -0.217 0.000 2.019 360 A HA 0.273 4.606 4.320 0.022 0.000 0.219 360 A C 1.080 178.337 177.584 -0.546 0.000 1.164 360 A CA 2.190 53.954 52.037 -0.455 0.000 0.644 360 A CB -0.357 18.226 19.000 -0.695 0.000 0.805 360 A HN 1.087 nan 8.150 nan 0.000 0.449 361 H N -2.072 117.042 119.070 0.072 0.000 2.894 361 H HA 0.674 5.242 4.556 0.021 0.000 0.368 361 H C -0.251 175.115 175.328 0.063 0.000 1.181 361 H CA 0.216 56.300 56.048 0.060 0.000 1.146 361 H CB 1.473 31.273 29.762 0.065 0.000 1.839 361 H HN 0.290 nan 8.280 nan 0.000 0.557 362 T N -0.671 113.978 114.554 0.158 0.000 2.674 362 T HA 0.304 4.667 4.350 0.022 0.000 0.298 362 T C -1.202 173.484 174.700 -0.024 0.000 1.775 362 T CA -1.199 60.932 62.100 0.052 0.000 0.960 362 T CB 1.336 70.224 68.868 0.033 0.000 1.976 362 T HN 0.847 nan 8.240 nan 0.000 0.459 363 N N -1.352 117.271 118.700 -0.128 0.000 2.710 363 N HA 0.442 5.196 4.740 0.022 0.000 0.257 363 N C -0.482 174.949 175.510 -0.132 0.000 1.327 363 N CA -0.748 52.205 53.050 -0.163 0.000 0.861 363 N CB 0.654 38.943 38.487 -0.332 0.000 1.532 363 N HN 0.420 nan 8.380 nan 0.000 0.499 364 D N 0.150 120.563 120.400 0.021 0.000 2.149 364 D HA -0.146 4.507 4.640 0.022 0.000 0.194 364 D C 1.655 177.946 176.300 -0.015 0.000 1.001 364 D CA 1.412 55.550 54.000 0.231 0.000 0.849 364 D CB -0.224 40.762 40.800 0.310 0.000 0.939 364 D HN 0.381 nan 8.370 nan 0.000 0.449 365 V N 0.913 120.667 119.914 -0.266 0.000 2.255 365 V HA -0.286 3.847 4.120 0.022 0.000 0.247 365 V C 2.467 178.197 176.094 -0.606 0.000 1.051 365 V CA 1.970 63.986 62.300 -0.473 0.000 1.018 365 V CB -0.533 30.806 31.823 -0.807 0.000 0.641 365 V HN 0.202 nan 8.190 nan 0.000 0.445 366 K N -0.414 119.508 120.400 -0.796 0.000 2.009 366 K HA -0.273 4.060 4.320 0.022 0.000 0.210 366 K C 2.343 178.734 176.600 -0.348 0.000 1.049 366 K CA 2.087 58.034 56.287 -0.566 0.000 0.929 366 K CB -0.215 31.992 32.500 -0.488 0.000 0.714 366 K HN 0.491 nan 8.250 nan 0.000 0.440 367 Q N 0.265 119.903 119.800 -0.270 0.000 2.002 367 Q HA -0.194 4.159 4.340 0.022 0.000 0.204 367 Q C 2.230 177.807 176.000 -0.706 0.000 0.988 367 Q CA 1.736 57.370 55.803 -0.281 0.000 0.843 367 Q CB -0.214 28.546 28.738 0.036 0.000 0.908 367 Q HN 0.313 nan 8.270 nan 0.000 0.420 368 L N 0.457 121.158 121.223 -0.870 0.000 2.081 368 L HA -0.233 4.120 4.340 0.022 0.000 0.212 368 L C 2.095 178.490 176.870 -0.792 0.000 1.080 368 L CA 2.082 56.219 54.840 -1.172 0.000 0.754 368 L CB -0.862 40.728 42.059 -0.781 0.000 0.893 368 L HN 0.168 nan 8.230 nan 0.000 0.433 369 T N -0.451 113.787 114.554 -0.526 0.000 2.674 369 T HA -0.198 4.165 4.350 0.022 0.000 0.265 369 T C 1.681 176.112 174.700 -0.447 0.000 1.039 369 T CA 1.833 63.699 62.100 -0.390 0.000 1.150 369 T CB -0.235 68.538 68.868 -0.159 0.000 0.864 369 T HN 0.495 nan 8.240 nan 0.000 0.427 370 E N 0.997 120.950 120.200 -0.410 0.000 2.085 370 E HA -0.129 4.234 4.350 0.022 0.000 0.194 370 E C 2.509 178.753 176.600 -0.593 0.000 0.994 370 E CA 1.033 57.229 56.400 -0.341 0.000 0.801 370 E CB -0.292 29.314 29.700 -0.157 0.000 0.743 370 E HN 0.469 nan 8.360 nan 0.000 0.453 371 A N 0.983 123.152 122.820 -1.084 0.000 1.869 371 A HA -0.248 4.085 4.320 0.022 0.000 0.218 371 A C 2.545 179.719 177.584 -0.683 0.000 1.203 371 A CA 1.927 53.182 52.037 -1.303 0.000 0.638 371 A CB -1.135 17.075 19.000 -1.318 0.000 0.831 371 A HN 0.149 nan 8.150 nan 0.000 0.450 372 V N -0.016 119.498 119.914 -0.666 0.000 2.277 372 V HA -0.374 3.759 4.120 0.022 0.000 0.253 372 V C 2.825 178.653 176.094 -0.443 0.000 1.067 372 V CA 2.462 64.364 62.300 -0.663 0.000 1.047 372 V CB -0.873 30.372 31.823 -0.963 0.000 0.649 372 V HN 0.598 nan 8.190 nan 0.000 0.447 373 Q N -0.012 119.567 119.800 -0.367 0.000 2.002 373 Q HA -0.254 4.099 4.340 0.022 0.000 0.204 373 Q C 2.395 178.326 176.000 -0.115 0.000 0.988 373 Q CA 2.335 58.016 55.803 -0.204 0.000 0.843 373 Q CB -0.551 28.105 28.738 -0.136 0.000 0.908 373 Q HN 0.710 nan 8.270 nan 0.000 0.420 374 K N 0.338 120.685 120.400 -0.088 0.000 2.059 374 K HA -0.190 4.143 4.320 0.022 0.000 0.212 374 K C 2.174 178.737 176.600 -0.063 0.000 1.050 374 K CA 1.538 57.818 56.287 -0.012 0.000 0.927 374 K CB -0.339 32.234 32.500 0.122 0.000 0.714 374 K HN 0.189 nan 8.250 nan 0.000 0.447 375 I N 0.928 121.413 120.570 -0.142 0.000 2.127 375 I HA -0.303 3.880 4.170 0.022 0.000 0.241 375 I C 2.338 178.459 176.117 0.008 0.000 1.075 375 I CA 1.841 63.060 61.300 -0.135 0.000 1.334 375 I CB -0.687 37.248 38.000 -0.108 0.000 1.040 375 I HN 0.319 nan 8.210 nan 0.000 0.405 376 T N 0.279 114.883 114.554 0.084 0.000 2.624 376 T HA -0.235 4.128 4.350 0.022 0.000 0.268 376 T C 1.858 176.575 174.700 0.028 0.000 1.041 376 T CA 2.334 64.492 62.100 0.097 0.000 1.159 376 T CB -0.531 68.360 68.868 0.038 0.000 0.863 376 T HN 0.408 nan 8.240 nan 0.000 0.434 377 T N 2.146 116.698 114.554 -0.002 0.000 2.635 377 T HA -0.187 4.176 4.350 0.022 0.000 0.267 377 T C 2.044 176.725 174.700 -0.032 0.000 1.040 377 T CA 1.866 63.960 62.100 -0.009 0.000 1.156 377 T CB -0.451 68.413 68.868 -0.006 0.000 0.863 377 T HN 0.803 nan 8.240 nan 0.000 0.430 378 E N 1.228 121.402 120.200 -0.044 0.000 2.150 378 E HA -0.097 4.266 4.350 0.022 0.000 0.193 378 E C 2.195 178.684 176.600 -0.186 0.000 0.985 378 E CA 1.431 57.773 56.400 -0.097 0.000 0.814 378 E CB -0.357 29.302 29.700 -0.070 0.000 0.752 378 E HN 0.321 nan 8.360 nan 0.000 0.466 379 S N 1.195 116.842 115.700 -0.087 0.000 2.353 379 S HA -0.141 4.342 4.470 0.022 0.000 0.222 379 S C 2.002 176.564 174.600 -0.063 0.000 1.035 379 S CA 1.367 59.564 58.200 -0.005 0.000 1.025 379 S CB -0.358 62.952 63.200 0.182 0.000 0.902 379 S HN 0.264 nan 8.310 nan 0.000 0.440 380 I N 1.438 121.992 120.570 -0.025 0.000 2.151 380 I HA -0.178 4.005 4.170 0.022 0.000 0.243 380 I C 2.084 178.145 176.117 -0.093 0.000 1.080 380 I CA 1.078 62.364 61.300 -0.024 0.000 1.339 380 I CB -0.493 37.507 38.000 -0.001 0.000 1.039 380 I HN 0.141 nan 8.210 nan 0.000 0.409 381 V N 0.729 120.565 119.914 -0.129 0.000 2.867 381 V HA -0.238 3.896 4.120 0.022 0.000 0.260 381 V C 1.934 177.866 176.094 -0.271 0.000 1.099 381 V CA 1.628 63.836 62.300 -0.154 0.000 1.122 381 V CB -0.419 31.327 31.823 -0.128 0.000 0.708 381 V HN 0.395 nan 8.190 nan 0.000 0.490 382 I N -2.618 117.666 120.570 -0.477 0.000 3.565 382 I HA 0.055 4.238 4.170 0.022 0.000 0.287 382 I C 1.445 177.071 176.117 -0.818 0.000 1.193 382 I CA 0.512 61.323 61.300 -0.815 0.000 1.402 382 I CB 0.274 37.362 38.000 -1.520 0.000 1.284 382 I HN 0.336 nan 8.210 nan 0.000 0.454 383 W N 1.169 122.284 121.300 -0.308 0.000 2.846 383 W HA 0.412 5.085 4.660 0.021 0.000 0.391 383 W C 1.291 177.674 176.519 -0.227 0.000 1.011 383 W CA 0.169 57.237 57.345 -0.461 0.000 1.832 383 W CB -0.275 28.705 29.460 -0.799 0.000 1.151 383 W HN 0.286 nan 8.180 nan 0.000 0.582 384 G N 2.603 111.409 108.800 0.010 0.000 2.212 384 G HA2 -0.344 3.629 3.960 0.022 0.000 0.267 384 G HA3 -0.344 3.629 3.960 0.022 0.000 0.267 384 G C 0.300 175.244 174.900 0.072 0.000 1.002 384 G CA 1.435 46.560 45.100 0.040 0.000 0.729 384 G HN 0.419 nan 8.290 nan 0.000 0.517 385 K N -1.759 118.698 120.400 0.095 0.000 2.555 385 K HA 0.726 5.060 4.320 0.022 0.000 0.279 385 K C -0.344 176.304 176.600 0.080 0.000 0.986 385 K CA -0.436 55.902 56.287 0.085 0.000 0.880 385 K CB 0.978 33.531 32.500 0.088 0.000 1.474 385 K HN 0.435 nan 8.250 nan 0.000 0.433 386 T N -0.441 114.147 114.554 0.058 0.000 2.837 386 T HA 0.519 4.882 4.350 0.022 0.000 0.285 386 T C -2.195 172.492 174.700 -0.023 0.000 0.984 386 T CA -1.552 60.580 62.100 0.053 0.000 1.049 386 T CB 1.062 69.984 68.868 0.090 0.000 0.947 386 T HN 0.509 nan 8.240 nan 0.000 0.472 387 P HA 0.377 nan 4.420 nan 0.000 0.286 387 P C -0.770 176.313 177.300 -0.361 0.000 1.261 387 P CA -0.871 62.023 63.100 -0.344 0.000 0.821 387 P CB 1.127 32.484 31.700 -0.571 0.000 1.013 388 K N 1.661 121.900 120.400 -0.269 0.000 2.326 388 K HA 0.320 4.653 4.320 0.022 0.000 0.275 388 K C -0.189 176.254 176.600 -0.263 0.000 1.018 388 K CA 0.031 56.245 56.287 -0.123 0.000 0.962 388 K CB 0.185 32.631 32.500 -0.089 0.000 0.953 388 K HN 0.337 nan 8.250 nan 0.000 0.475 389 F N 1.409 121.303 119.950 -0.094 0.000 2.432 389 F HA 0.344 4.883 4.527 0.019 0.000 0.329 389 F C 0.436 176.228 175.800 -0.013 0.000 1.076 389 F CA -0.599 57.344 58.000 -0.094 0.000 1.018 389 F CB 1.396 40.309 39.000 -0.145 0.000 1.201 389 F HN 0.149 nan 8.300 nan 0.000 0.489 390 K N 3.766 124.254 120.400 0.147 0.000 2.507 390 K HA 0.561 4.894 4.320 0.022 0.000 0.253 390 K C -1.471 175.225 176.600 0.161 0.000 0.969 390 K CA -0.350 56.012 56.287 0.125 0.000 0.908 390 K CB 1.288 33.803 32.500 0.025 0.000 1.127 390 K HN 0.493 nan 8.250 nan 0.000 0.437 391 L N 4.151 125.526 121.223 0.254 0.000 2.342 391 L HA 0.496 4.849 4.340 0.022 0.000 0.271 391 L C -1.831 175.219 176.870 0.300 0.000 1.008 391 L CA -2.097 52.868 54.840 0.208 0.000 0.818 391 L CB 1.878 43.946 42.059 0.015 0.000 1.296 391 L HN 0.411 nan 8.230 nan 0.000 0.427 392 P HA 0.158 nan 4.420 nan 0.000 0.243 392 P C -0.459 177.116 177.300 0.458 0.000 1.668 392 P CA 0.457 63.753 63.100 0.328 0.000 0.898 392 P CB 0.295 32.139 31.700 0.240 0.000 1.637 393 I N -0.671 120.225 120.570 0.543 0.000 2.769 393 I HA 0.290 4.473 4.170 0.022 0.000 0.298 393 I C -0.882 175.472 176.117 0.395 0.000 1.128 393 I CA -1.172 60.349 61.300 0.368 0.000 1.031 393 I CB 2.844 40.957 38.000 0.188 0.000 1.235 393 I HN -0.195 nan 8.210 nan 0.000 0.423 394 Q N 5.647 125.453 119.800 0.010 0.000 2.235 394 Q HA 0.305 4.658 4.340 0.022 0.000 0.250 394 Q C 0.473 176.616 176.000 0.238 0.000 0.909 394 Q CA -0.874 54.835 55.803 -0.156 0.000 0.910 394 Q CB 1.564 30.029 28.738 -0.454 0.000 1.223 394 Q HN 0.469 nan 8.270 nan 0.000 0.432 395 K N 1.871 122.361 120.400 0.151 0.000 2.059 395 K HA -0.295 4.038 4.320 0.022 0.000 0.212 395 K C 1.646 178.447 176.600 0.336 0.000 1.050 395 K CA 1.802 58.244 56.287 0.258 0.000 0.927 395 K CB -0.108 32.373 32.500 -0.031 0.000 0.714 395 K HN 0.765 nan 8.250 nan 0.000 0.447 396 E N 0.432 120.733 120.200 0.168 0.000 2.070 396 E HA -0.184 4.180 4.350 0.022 0.000 0.197 396 E C 1.747 178.465 176.600 0.196 0.000 1.004 396 E CA 1.980 58.474 56.400 0.157 0.000 0.805 396 E CB 0.036 29.773 29.700 0.060 0.000 0.744 396 E HN 0.277 nan 8.360 nan 0.000 0.451 397 T N 0.124 114.781 114.554 0.172 0.000 2.652 397 T HA -0.211 4.152 4.350 0.022 0.000 0.267 397 T C 1.116 175.979 174.700 0.272 0.000 1.039 397 T CA 1.486 63.687 62.100 0.169 0.000 1.153 397 T CB -0.715 68.225 68.868 0.119 0.000 0.863 397 T HN 0.424 nan 8.240 nan 0.000 0.428 398 W N 1.974 123.385 121.300 0.184 0.000 2.315 398 W HA -0.164 4.507 4.660 0.017 0.000 0.323 398 W C 2.364 179.087 176.519 0.340 0.000 1.233 398 W CA 1.580 59.049 57.345 0.208 0.000 1.267 398 W CB -0.390 29.200 29.460 0.216 0.000 1.160 398 W HN 0.334 nan 8.180 nan 0.000 0.474 399 E N -1.216 119.338 120.200 0.591 0.000 2.118 399 E HA -0.242 4.121 4.350 0.022 0.000 0.195 399 E C 2.047 178.852 176.600 0.342 0.000 0.992 399 E CA 2.021 58.813 56.400 0.654 0.000 0.804 399 E CB -0.408 29.694 29.700 0.670 0.000 0.741 399 E HN 0.234 nan 8.360 nan 0.000 0.458 400 T N 0.658 115.340 114.554 0.214 0.000 2.652 400 T HA -0.200 4.163 4.350 0.022 0.000 0.267 400 T C 1.226 175.945 174.700 0.032 0.000 1.039 400 T CA 1.264 63.418 62.100 0.091 0.000 1.153 400 T CB -0.409 68.517 68.868 0.097 0.000 0.863 400 T HN 0.459 nan 8.240 nan 0.000 0.428 401 W N 0.653 121.890 121.300 -0.106 0.000 2.335 401 W HA -0.200 4.476 4.660 0.026 0.000 0.311 401 W C 2.034 178.447 176.519 -0.177 0.000 1.213 401 W CA 1.332 58.559 57.345 -0.197 0.000 1.274 401 W CB -0.713 28.558 29.460 -0.314 0.000 1.148 401 W HN 0.380 nan 8.180 nan 0.000 0.498 402 W N 2.721 123.739 121.300 -0.470 0.000 2.121 402 W HA -0.411 4.261 4.660 0.020 0.000 0.321 402 W C 2.907 179.188 176.519 -0.396 0.000 1.220 402 W CA 4.073 61.106 57.345 -0.519 0.000 1.078 402 W CB -1.268 27.931 29.460 -0.435 0.000 1.111 402 W HN 0.074 nan 8.180 nan 0.000 0.489 403 T N -0.423 113.808 114.554 -0.538 0.000 2.635 403 T HA -0.420 3.943 4.350 0.022 0.000 0.265 403 T C 1.635 176.099 174.700 -0.394 0.000 1.058 403 T CA 2.685 64.377 62.100 -0.681 0.000 1.162 403 T CB -1.174 67.324 68.868 -0.617 0.000 0.859 403 T HN 0.579 nan 8.240 nan 0.000 0.449 404 E N 0.216 120.195 120.200 -0.368 0.000 2.065 404 E HA -0.139 4.224 4.350 0.022 0.000 0.201 404 E C 0.470 176.862 176.600 -0.346 0.000 1.016 404 E CA 0.980 57.173 56.400 -0.345 0.000 0.818 404 E CB -0.362 29.092 29.700 -0.409 0.000 0.749 404 E HN 0.592 nan 8.360 nan 0.000 0.453 405 Y N 1.846 121.669 120.300 -0.795 0.000 2.721 405 Y HA -0.181 4.384 4.550 0.025 0.000 0.329 405 Y C 1.035 176.651 175.900 -0.472 0.000 1.211 405 Y CA -0.660 56.952 58.100 -0.814 0.000 1.512 405 Y CB 0.146 37.993 38.460 -1.022 0.000 1.249 405 Y HN 0.213 nan 8.280 nan 0.000 0.549 406 W N 3.048 124.074 121.300 -0.458 0.000 2.595 406 W HA -0.010 4.664 4.660 0.024 0.000 0.257 406 W C -0.050 176.257 176.519 -0.354 0.000 1.267 406 W CA 0.100 57.230 57.345 -0.358 0.000 1.300 406 W CB -0.382 28.876 29.460 -0.337 0.000 1.120 406 W HN 0.506 nan 8.180 nan 0.000 0.618 407 Q N 1.416 120.560 119.800 -1.093 0.000 2.214 407 Q HA 0.553 4.907 4.340 0.022 0.000 0.251 407 Q C -0.226 175.647 176.000 -0.212 0.000 0.936 407 Q CA -0.325 55.077 55.803 -0.669 0.000 0.894 407 Q CB 1.779 29.736 28.738 -1.302 0.000 1.252 407 Q HN 0.053 nan 8.270 nan 0.000 0.448 408 A N 1.910 124.712 122.820 -0.030 0.000 2.286 408 A HA 0.714 5.047 4.320 0.022 0.000 0.286 408 A C -0.384 177.259 177.584 0.099 0.000 1.097 408 A CA -0.038 52.041 52.037 0.071 0.000 0.821 408 A CB 1.539 20.590 19.000 0.083 0.000 1.076 408 A HN 0.677 nan 8.150 nan 0.000 0.490 409 T N 0.401 115.047 114.554 0.153 0.000 2.907 409 T HA 0.451 4.814 4.350 0.022 0.000 0.344 409 T C -2.298 172.603 174.700 0.334 0.000 1.675 409 T CA -0.341 61.872 62.100 0.187 0.000 1.076 409 T CB 0.664 69.619 68.868 0.146 0.000 1.483 409 T HN 0.909 nan 8.240 nan 0.000 0.487 410 W N 6.263 127.589 121.300 0.042 0.000 3.097 410 W HA 0.591 5.265 4.660 0.025 0.000 0.335 410 W C -2.135 174.336 176.519 -0.079 0.000 1.114 410 W CA -0.983 56.372 57.345 0.017 0.000 1.231 410 W CB 1.244 30.693 29.460 -0.018 0.000 1.388 410 W HN 0.467 nan 8.180 nan 0.000 0.485 411 I N 8.004 127.923 120.570 -1.085 0.000 2.382 411 I HA 0.259 4.442 4.170 0.022 0.000 0.286 411 I C -1.471 173.660 176.117 -1.644 0.000 1.002 411 I CA -2.891 57.632 61.300 -1.294 0.000 1.135 411 I CB 1.043 38.194 38.000 -1.416 0.000 1.288 411 I HN 0.192 nan 8.210 nan 0.000 0.448 412 P HA -0.071 nan 4.420 nan 0.000 0.273 412 P C 0.117 177.216 177.300 -0.335 0.000 1.248 412 P CA -0.224 62.530 63.100 -0.577 0.000 0.817 412 P CB 0.673 32.263 31.700 -0.183 0.000 0.995 413 E N 0.703 120.856 120.200 -0.079 0.000 2.708 413 E HA -0.045 4.318 4.350 0.022 0.000 0.260 413 E C -0.705 175.969 176.600 0.124 0.000 0.937 413 E CA 0.216 56.617 56.400 0.002 0.000 0.953 413 E CB 0.092 29.806 29.700 0.022 0.000 0.915 413 E HN 0.395 nan 8.360 nan 0.000 0.487 414 W N 3.451 124.635 121.300 -0.194 0.000 3.248 414 W HA 0.388 5.057 4.660 0.015 0.000 0.311 414 W C -1.654 174.801 176.519 -0.107 0.000 1.258 414 W CA -0.940 56.317 57.345 -0.146 0.000 1.191 414 W CB 0.023 29.318 29.460 -0.276 0.000 1.389 414 W HN 0.627 nan 8.180 nan 0.000 0.561 415 E N 2.058 122.292 120.200 0.056 0.000 2.227 415 E HA 0.558 4.922 4.350 0.022 0.000 0.268 415 E C -1.596 175.071 176.600 0.110 0.000 0.907 415 E CA -0.819 55.519 56.400 -0.104 0.000 0.786 415 E CB 2.713 32.381 29.700 -0.053 0.000 1.191 415 E HN 0.213 nan 8.360 nan 0.000 0.411 416 F N 2.975 122.855 119.950 -0.116 0.000 2.471 416 F HA 0.361 4.890 4.527 0.005 0.000 0.353 416 F C -1.072 174.773 175.800 0.076 0.000 1.113 416 F CA -0.432 57.603 58.000 0.058 0.000 1.262 416 F CB 0.995 39.991 39.000 -0.007 0.000 1.146 416 F HN 0.270 nan 8.300 nan 0.000 0.578 417 V N 5.722 125.208 119.914 -0.713 0.000 2.483 417 V HA 0.182 4.315 4.120 0.022 0.000 0.297 417 V C -0.512 174.986 176.094 -0.993 0.000 1.027 417 V CA -1.030 60.879 62.300 -0.652 0.000 0.855 417 V CB 1.593 33.310 31.823 -0.175 0.000 0.995 417 V HN 0.731 nan 8.190 nan 0.000 0.424 418 N N 2.939 121.129 118.700 -0.849 0.000 3.188 418 N HA 0.166 4.919 4.740 0.022 0.000 0.279 418 N C -0.430 175.011 175.510 -0.113 0.000 1.213 418 N CA 0.081 52.891 53.050 -0.400 0.000 1.138 418 N CB 0.293 38.673 38.487 -0.179 0.000 1.417 418 N HN 0.658 nan 8.380 nan 0.000 0.526 419 T N 3.071 117.593 114.554 -0.053 0.000 2.977 419 T HA 0.353 4.717 4.350 0.022 0.000 0.346 419 T C -2.556 172.178 174.700 0.058 0.000 1.140 419 T CA -1.191 60.916 62.100 0.013 0.000 1.040 419 T CB 1.287 70.171 68.868 0.027 0.000 1.046 419 T HN 0.270 nan 8.240 nan 0.000 0.494 420 P HA 0.164 nan 4.420 nan 0.000 0.268 420 P C -2.291 175.040 177.300 0.052 0.000 1.208 420 P CA -0.944 62.194 63.100 0.064 0.000 0.777 420 P CB -0.072 31.657 31.700 0.049 0.000 0.875 421 P HA 0.220 nan 4.420 nan 0.000 0.285 421 P C -1.047 176.307 177.300 0.089 0.000 1.259 421 P CA -0.281 62.851 63.100 0.054 0.000 0.794 421 P CB 0.585 32.305 31.700 0.033 0.000 0.940 422 L N 3.378 124.662 121.223 0.101 0.000 2.331 422 L HA 0.160 4.513 4.340 0.022 0.000 0.278 422 L C 0.793 177.726 176.870 0.105 0.000 1.106 422 L CA -0.323 54.607 54.840 0.149 0.000 0.824 422 L CB 0.864 43.017 42.059 0.157 0.000 1.142 422 L HN 0.205 nan 8.230 nan 0.000 0.443 423 V N 5.083 125.091 119.914 0.156 0.000 2.555 423 V HA 0.474 4.608 4.120 0.022 0.000 0.286 423 V C -0.031 176.099 176.094 0.060 0.000 1.044 423 V CA -0.058 62.330 62.300 0.145 0.000 1.026 423 V CB 0.607 32.569 31.823 0.232 0.000 0.981 423 V HN 0.956 nan 8.190 nan 0.000 0.480 424 K N 5.515 125.912 120.400 -0.005 0.000 2.466 424 K HA 0.670 5.003 4.320 0.022 0.000 0.277 424 K C -1.658 174.890 176.600 -0.086 0.000 1.039 424 K CA -0.963 55.268 56.287 -0.094 0.000 0.904 424 K CB 1.527 33.894 32.500 -0.222 0.000 1.506 424 K HN 0.482 nan 8.250 nan 0.000 0.441 425 L N 2.156 123.323 121.223 -0.093 0.000 2.262 425 L HA 0.351 4.704 4.340 0.022 0.000 0.288 425 L C -0.210 176.651 176.870 -0.015 0.000 1.035 425 L CA -0.670 54.161 54.840 -0.015 0.000 0.820 425 L CB 0.569 42.616 42.059 -0.020 0.000 1.204 425 L HN 0.689 nan 8.230 nan 0.000 0.424 426 W N 3.260 124.558 121.300 -0.004 0.000 2.538 426 W HA -0.074 4.601 4.660 0.025 0.000 0.254 426 W C 0.423 177.097 176.519 0.258 0.000 1.249 426 W CA 0.139 57.563 57.345 0.130 0.000 1.253 426 W CB -0.579 29.003 29.460 0.203 0.000 1.130 426 W HN 0.514 nan 8.180 nan 0.000 0.618 427 Y N -2.263 118.173 120.300 0.226 0.000 2.895 427 Y HA 0.533 5.094 4.550 0.019 0.000 0.339 427 Y C -1.287 174.689 175.900 0.126 0.000 1.363 427 Y CA -2.472 55.717 58.100 0.149 0.000 1.085 427 Y CB 0.406 38.952 38.460 0.143 0.000 1.500 427 Y HN -0.021 nan 8.280 nan 0.000 0.442 428 Q N 1.375 121.357 119.800 0.304 0.000 2.443 428 Q HA 0.496 4.849 4.340 0.022 0.000 0.241 428 Q C -2.136 173.986 176.000 0.204 0.000 0.880 428 Q CA -0.826 55.077 55.803 0.166 0.000 0.974 428 Q CB 1.378 30.168 28.738 0.086 0.000 1.482 428 Q HN 0.794 nan 8.270 nan 0.000 0.448 429 L N 1.860 123.200 121.223 0.195 0.000 2.514 429 L HA 0.134 4.487 4.340 0.022 0.000 0.280 429 L C 0.688 177.636 176.870 0.131 0.000 1.223 429 L CA -0.148 54.778 54.840 0.144 0.000 0.864 429 L CB 0.162 42.271 42.059 0.084 0.000 1.118 429 L HN 0.588 nan 8.230 nan 0.000 0.494 430 E N 2.313 122.617 120.200 0.172 0.000 2.392 430 E HA 0.010 4.373 4.350 0.022 0.000 0.264 430 E C 0.458 177.228 176.600 0.284 0.000 1.024 430 E CA 0.119 56.647 56.400 0.213 0.000 0.903 430 E CB 0.808 30.657 29.700 0.248 0.000 0.963 430 E HN 0.408 nan 8.360 nan 0.000 0.432 431 K N 1.118 121.641 120.400 0.205 0.000 2.365 431 K HA -0.033 4.301 4.320 0.022 0.000 0.197 431 K C 0.185 176.975 176.600 0.317 0.000 1.042 431 K CA 0.520 56.931 56.287 0.207 0.000 0.987 431 K CB 0.367 32.926 32.500 0.099 0.000 0.779 431 K HN 0.283 nan 8.250 nan 0.000 0.484 432 E N 0.228 120.545 120.200 0.195 0.000 2.293 432 E HA 0.216 4.579 4.350 0.022 0.000 0.270 432 E C -2.786 173.451 176.600 -0.606 0.000 0.879 432 E CA -2.759 53.552 56.400 -0.149 0.000 0.756 432 E CB 1.752 31.392 29.700 -0.100 0.000 1.208 432 E HN -0.207 nan 8.360 nan 0.000 0.428 433 P HA 0.043 nan 4.420 nan 0.000 0.265 433 P C -0.243 176.828 177.300 -0.382 0.000 1.193 433 P CA 0.326 62.728 63.100 -1.163 0.000 0.765 433 P CB 0.323 31.493 31.700 -0.883 0.000 0.823 434 I N 2.595 123.069 120.570 -0.161 0.000 2.496 434 I HA 0.098 4.281 4.170 0.022 0.000 0.285 434 I C 0.736 176.825 176.117 -0.047 0.000 1.080 434 I CA -0.764 60.502 61.300 -0.056 0.000 1.404 434 I CB 0.442 38.450 38.000 0.014 0.000 1.403 434 I HN 0.056 nan 8.210 nan 0.000 0.539 435 V N 5.566 125.457 119.914 -0.038 0.000 2.583 435 V HA 0.385 4.518 4.120 0.022 0.000 0.287 435 V C 1.213 177.304 176.094 -0.005 0.000 1.051 435 V CA 0.484 62.769 62.300 -0.025 0.000 1.010 435 V CB 0.625 32.433 31.823 -0.025 0.000 0.988 435 V HN 1.167 nan 8.190 nan 0.000 0.478 436 G N 3.370 112.170 108.800 0.001 0.000 2.184 436 G HA2 -0.110 3.863 3.960 0.022 0.000 0.264 436 G HA3 -0.110 3.863 3.960 0.022 0.000 0.264 436 G C 0.299 175.212 174.900 0.021 0.000 0.975 436 G CA 0.183 45.289 45.100 0.010 0.000 0.642 436 G HN 1.512 nan 8.290 nan 0.000 0.536 437 A N -0.051 122.787 122.820 0.029 0.000 2.305 437 A HA 0.740 5.073 4.320 0.022 0.000 0.322 437 A C 0.354 177.981 177.584 0.071 0.000 1.187 437 A CA 0.369 52.438 52.037 0.053 0.000 0.825 437 A CB 0.746 19.782 19.000 0.059 0.000 1.164 437 A HN 0.666 nan 8.150 nan 0.000 0.498 438 E N 0.924 121.180 120.200 0.095 0.000 2.459 438 E HA 0.152 4.515 4.350 0.022 0.000 0.264 438 E C -0.648 176.038 176.600 0.143 0.000 1.055 438 E CA 0.598 57.044 56.400 0.076 0.000 0.957 438 E CB 0.389 30.135 29.700 0.076 0.000 0.952 438 E HN 0.516 nan 8.360 nan 0.000 0.448 439 T N 4.503 119.096 114.554 0.066 0.000 2.815 439 T HA 0.341 4.704 4.350 0.022 0.000 0.289 439 T C -1.146 173.629 174.700 0.124 0.000 1.000 439 T CA -0.455 61.727 62.100 0.138 0.000 0.958 439 T CB 0.058 69.002 68.868 0.127 0.000 0.944 439 T HN 0.229 nan 8.240 nan 0.000 0.442 440 F N 2.651 122.592 119.950 -0.015 0.000 2.408 440 F HA 0.487 5.028 4.527 0.023 0.000 0.344 440 F C -0.188 175.622 175.800 0.017 0.000 1.112 440 F CA -1.173 56.841 58.000 0.022 0.000 1.096 440 F CB 0.778 39.682 39.000 -0.160 0.000 1.129 440 F HN 0.475 nan 8.300 nan 0.000 0.486 441 Y N 2.429 122.855 120.300 0.209 0.000 2.369 441 Y HA 0.526 5.090 4.550 0.023 0.000 0.337 441 Y C -0.265 175.758 175.900 0.206 0.000 0.961 441 Y CA -1.031 57.163 58.100 0.158 0.000 1.186 441 Y CB 1.233 39.748 38.460 0.091 0.000 1.139 441 Y HN 0.211 nan 8.280 nan 0.000 0.494 442 V N 4.622 124.700 119.914 0.274 0.000 2.427 442 V HA 0.486 4.619 4.120 0.022 0.000 0.286 442 V C -0.534 175.667 176.094 0.179 0.000 1.034 442 V CA -0.432 62.015 62.300 0.244 0.000 0.893 442 V CB 1.593 33.532 31.823 0.193 0.000 0.982 442 V HN 0.728 nan 8.190 nan 0.000 0.452 456 G N 0.134 108.965 108.800 0.052 0.000 2.450 456 G HA2 0.736 4.709 3.960 0.022 0.000 0.273 456 G HA3 0.736 4.709 3.960 0.022 0.000 0.273 456 G C -1.239 173.737 174.900 0.126 0.000 1.221 456 G CA 0.498 45.608 45.100 0.017 0.000 0.900 456 G HN 1.870 nan 8.290 nan 0.000 0.483 457 Y N -2.030 118.344 120.300 0.124 0.000 2.670 457 Y HA 0.825 5.389 4.550 0.022 0.000 0.334 457 Y C -1.187 174.790 175.900 0.128 0.000 1.185 457 Y CA -1.846 56.357 58.100 0.172 0.000 1.053 457 Y CB 1.510 40.144 38.460 0.291 0.000 1.298 457 Y HN 0.752 nan 8.280 nan 0.000 0.459 458 V N 1.715 121.912 119.914 0.473 0.000 2.655 458 V HA 0.594 4.728 4.120 0.022 0.000 0.301 458 V C -0.325 175.881 176.094 0.187 0.000 1.082 458 V CA -0.144 62.303 62.300 0.246 0.000 0.899 458 V CB 1.376 33.248 31.823 0.082 0.000 1.014 458 V HN 1.155 nan 8.190 nan 0.000 0.429 459 T N 0.251 114.800 114.554 -0.008 0.000 2.952 459 T HA 0.288 4.651 4.350 0.022 0.000 0.286 459 T C 1.205 175.838 174.700 -0.111 0.000 1.024 459 T CA -0.159 61.816 62.100 -0.207 0.000 1.029 459 T CB 1.516 69.912 68.868 -0.786 0.000 1.094 459 T HN 0.720 nan 8.240 nan 0.000 0.515 460 N N 1.627 120.294 118.700 -0.055 0.000 2.364 460 N HA -0.154 4.600 4.740 0.022 0.000 0.183 460 N C 1.078 176.550 175.510 -0.063 0.000 1.022 460 N CA 0.740 53.770 53.050 -0.034 0.000 0.883 460 N CB -0.313 38.194 38.487 0.033 0.000 0.965 460 N HN 0.677 nan 8.380 nan 0.000 0.438 461 R N -0.139 120.301 120.500 -0.099 0.000 2.449 461 R HA 0.183 4.536 4.340 0.022 0.000 0.262 461 R C 0.887 177.146 176.300 -0.068 0.000 1.006 461 R CA 0.390 56.444 56.100 -0.077 0.000 1.104 461 R CB -0.099 30.151 30.300 -0.084 0.000 1.206 461 R HN 0.417 nan 8.270 nan 0.000 0.538 462 G N 1.446 110.205 108.800 -0.068 0.000 2.234 462 G HA2 -0.363 3.610 3.960 0.022 0.000 0.260 462 G HA3 -0.363 3.610 3.960 0.022 0.000 0.260 462 G C 0.250 175.131 174.900 -0.033 0.000 0.987 462 G CA 0.019 45.090 45.100 -0.048 0.000 0.625 462 G HN 0.342 nan 8.290 nan 0.000 0.532 463 R N 0.813 121.291 120.500 -0.038 0.000 2.615 463 R HA 0.590 4.943 4.340 0.022 0.000 0.270 463 R C 0.640 176.995 176.300 0.092 0.000 1.081 463 R CA 0.560 56.676 56.100 0.027 0.000 1.154 463 R CB 0.373 30.700 30.300 0.045 0.000 1.063 463 R HN 0.701 nan 8.270 nan 0.000 0.519 464 Q N 0.517 120.362 119.800 0.075 0.000 2.633 464 Q HA 0.462 4.816 4.340 0.022 0.000 0.289 464 Q C -1.632 174.175 176.000 -0.322 0.000 0.940 464 Q CA -1.270 54.462 55.803 -0.119 0.000 0.785 464 Q CB 2.459 31.138 28.738 -0.098 0.000 1.467 464 Q HN 0.492 nan 8.270 nan 0.000 0.401 465 K N 0.788 120.789 120.400 -0.665 0.000 2.575 465 K HA 0.475 4.809 4.320 0.022 0.000 0.255 465 K C -2.173 174.183 176.600 -0.405 0.000 0.953 465 K CA -0.511 55.495 56.287 -0.468 0.000 0.840 465 K CB 2.466 34.685 32.500 -0.468 0.000 1.303 465 K HN 0.501 nan 8.250 nan 0.000 0.438 466 V N 4.391 124.188 119.914 -0.195 0.000 2.409 466 V HA 0.369 4.502 4.120 0.022 0.000 0.290 466 V C -0.512 175.546 176.094 -0.061 0.000 1.017 466 V CA -0.788 61.442 62.300 -0.117 0.000 0.841 466 V CB 1.567 33.342 31.823 -0.080 0.000 1.003 466 V HN 0.536 nan 8.190 nan 0.000 0.426 467 V N 3.728 123.623 119.914 -0.032 0.000 2.732 467 V HA 0.680 4.814 4.120 0.022 0.000 0.310 467 V C 0.350 176.450 176.094 0.010 0.000 1.053 467 V CA -0.485 61.814 62.300 -0.002 0.000 0.957 467 V CB 2.345 34.180 31.823 0.021 0.000 1.018 467 V HN 0.948 nan 8.190 nan 0.000 0.452 468 T N 2.087 116.649 114.554 0.012 0.000 2.892 468 T HA 0.638 5.001 4.350 0.022 0.000 0.311 468 T C -0.906 173.806 174.700 0.020 0.000 1.033 468 T CA -0.474 61.635 62.100 0.015 0.000 0.991 468 T CB 1.011 69.883 68.868 0.007 0.000 0.981 468 T HN 0.350 nan 8.240 nan 0.000 0.457 469 L N 3.792 125.031 121.223 0.026 0.000 2.379 469 L HA 0.711 5.064 4.340 0.022 0.000 0.269 469 L C 0.467 177.349 176.870 0.021 0.000 1.084 469 L CA 0.053 54.910 54.840 0.027 0.000 0.802 469 L CB 1.608 43.689 42.059 0.036 0.000 1.175 469 L HN 0.914 nan 8.230 nan 0.000 0.448 470 T N -0.203 114.362 114.554 0.018 0.000 2.845 470 T HA 0.422 4.785 4.350 0.022 0.000 0.288 470 T C -0.858 173.851 174.700 0.014 0.000 0.980 470 T CA -0.611 61.498 62.100 0.014 0.000 1.071 470 T CB 0.682 69.557 68.868 0.012 0.000 0.941 470 T HN 0.668 nan 8.240 nan 0.000 0.487 471 D N 0.305 120.712 120.400 0.012 0.000 3.729 471 D HA -0.128 4.526 4.640 0.022 0.000 0.242 471 D C -0.303 176.006 176.300 0.014 0.000 1.091 471 D CA 1.199 55.206 54.000 0.011 0.000 1.096 471 D CB -1.176 39.630 40.800 0.010 0.000 0.901 471 D HN 0.941 nan 8.370 nan 0.000 0.416 472 T N -0.259 114.304 114.554 0.014 0.000 2.957 472 T HA 0.396 4.759 4.350 0.022 0.000 0.336 472 T C -0.390 174.318 174.700 0.014 0.000 1.462 472 T CA -0.328 61.783 62.100 0.018 0.000 1.073 472 T CB 1.829 70.713 68.868 0.026 0.000 1.319 472 T HN 0.061 nan 8.240 nan 0.000 0.485 473 T N 3.821 118.383 114.554 0.013 0.000 2.882 473 T HA 0.250 4.614 4.350 0.022 0.000 0.287 473 T C 1.576 176.276 174.700 0.001 0.000 1.014 473 T CA -0.673 61.426 62.100 -0.002 0.000 1.049 473 T CB 0.600 69.459 68.868 -0.015 0.000 1.001 473 T HN 0.632 nan 8.240 nan 0.000 0.525 474 N N 0.944 119.634 118.700 -0.017 0.000 2.120 474 N HA -0.098 4.655 4.740 0.022 0.000 0.188 474 N C 1.993 177.501 175.510 -0.002 0.000 1.024 474 N CA 1.305 54.351 53.050 -0.006 0.000 0.852 474 N CB -0.140 38.336 38.487 -0.018 0.000 1.003 474 N HN 0.573 nan 8.380 nan 0.000 0.424 475 Q N 0.452 120.204 119.800 -0.079 0.000 2.124 475 Q HA -0.097 4.256 4.340 0.022 0.000 0.202 475 Q C 1.950 178.032 176.000 0.138 0.000 0.977 475 Q CA 1.104 56.833 55.803 -0.124 0.000 0.850 475 Q CB -0.043 28.324 28.738 -0.619 0.000 0.901 475 Q HN 0.345 nan 8.270 nan 0.000 0.429 476 K N 0.420 120.872 120.400 0.087 0.000 2.155 476 K HA -0.128 4.205 4.320 0.022 0.000 0.203 476 K C 2.163 178.824 176.600 0.102 0.000 1.052 476 K CA 1.610 57.966 56.287 0.115 0.000 0.948 476 K CB 0.004 32.545 32.500 0.069 0.000 0.728 476 K HN 0.284 nan 8.250 nan 0.000 0.448 477 T N -1.116 113.488 114.554 0.082 0.000 2.708 477 T HA -0.157 4.206 4.350 0.022 0.000 0.266 477 T C 1.528 176.293 174.700 0.109 0.000 1.037 477 T CA 1.449 63.598 62.100 0.082 0.000 1.146 477 T CB -0.371 68.536 68.868 0.065 0.000 0.865 477 T HN 0.366 nan 8.240 nan 0.000 0.435 478 E N 1.492 121.770 120.200 0.131 0.000 2.048 478 E HA -0.127 4.236 4.350 0.022 0.000 0.202 478 E C 2.307 178.992 176.600 0.142 0.000 1.021 478 E CA 1.644 58.136 56.400 0.153 0.000 0.825 478 E CB -0.590 29.236 29.700 0.210 0.000 0.756 478 E HN 0.458 nan 8.360 nan 0.000 0.454 479 L N 0.901 122.210 121.223 0.144 0.000 2.043 479 L HA -0.289 4.064 4.340 0.022 0.000 0.212 479 L C 2.691 179.624 176.870 0.105 0.000 1.075 479 L CA 1.496 56.390 54.840 0.089 0.000 0.752 479 L CB -0.464 41.632 42.059 0.061 0.000 0.891 479 L HN 0.187 nan 8.230 nan 0.000 0.432 480 Q N -0.498 119.370 119.800 0.114 0.000 2.096 480 Q HA -0.232 4.121 4.340 0.022 0.000 0.204 480 Q C 2.445 178.571 176.000 0.210 0.000 0.982 480 Q CA 1.647 57.547 55.803 0.161 0.000 0.850 480 Q CB -0.336 28.478 28.738 0.125 0.000 0.901 480 Q HN 0.593 nan 8.270 nan 0.000 0.422 481 A N 1.328 124.249 122.820 0.167 0.000 1.849 481 A HA -0.245 4.088 4.320 0.022 0.000 0.217 481 A C 2.065 179.755 177.584 0.176 0.000 1.202 481 A CA 1.639 53.786 52.037 0.183 0.000 0.629 481 A CB -0.988 18.111 19.000 0.166 0.000 0.834 481 A HN 0.350 nan 8.150 nan 0.000 0.447 482 I N -1.915 118.734 120.570 0.131 0.000 2.145 482 I HA -0.352 3.832 4.170 0.022 0.000 0.244 482 I C 2.497 178.648 176.117 0.058 0.000 1.075 482 I CA 2.310 63.649 61.300 0.065 0.000 1.332 482 I CB -0.610 37.420 38.000 0.050 0.000 1.033 482 I HN 0.564 nan 8.210 nan 0.000 0.410 483 Y N 1.559 121.843 120.300 -0.027 0.000 2.040 483 Y HA -0.304 4.258 4.550 0.021 0.000 0.275 483 Y C 2.440 178.314 175.900 -0.043 0.000 1.171 483 Y CA 1.610 59.684 58.100 -0.043 0.000 1.123 483 Y CB -0.742 37.710 38.460 -0.013 0.000 0.963 483 Y HN 0.026 nan 8.280 nan 0.000 0.493 484 L N -0.517 120.704 121.223 -0.003 0.000 1.997 484 L HA -0.359 3.994 4.340 0.022 0.000 0.216 484 L C 2.708 179.483 176.870 -0.158 0.000 1.074 484 L CA 1.712 56.533 54.840 -0.031 0.000 0.763 484 L CB -1.062 41.147 42.059 0.249 0.000 0.890 484 L HN 0.402 nan 8.230 nan 0.000 0.434 485 A N -0.448 122.243 122.820 -0.216 0.000 1.948 485 A HA -0.237 4.096 4.320 0.022 0.000 0.220 485 A C 2.188 179.248 177.584 -0.874 0.000 1.177 485 A CA 1.752 53.321 52.037 -0.780 0.000 0.636 485 A CB -0.718 17.927 19.000 -0.591 0.000 0.815 485 A HN 0.437 nan 8.150 nan 0.000 0.449 486 L N -1.206 119.715 121.223 -0.504 0.000 2.027 486 L HA -0.240 4.113 4.340 0.022 0.000 0.206 486 L C 2.949 179.583 176.870 -0.393 0.000 1.074 486 L CA 1.617 56.208 54.840 -0.415 0.000 0.745 486 L CB -0.527 41.381 42.059 -0.251 0.000 0.898 486 L HN 0.483 nan 8.230 nan 0.000 0.433 487 Q N -0.074 119.471 119.800 -0.424 0.000 2.030 487 Q HA -0.238 4.115 4.340 0.022 0.000 0.204 487 Q C 1.533 177.404 176.000 -0.215 0.000 0.986 487 Q CA 1.883 57.485 55.803 -0.336 0.000 0.843 487 Q CB -0.144 28.353 28.738 -0.401 0.000 0.904 487 Q HN 0.492 nan 8.270 nan 0.000 0.420 488 D N 0.304 120.582 120.400 -0.204 0.000 2.363 488 D HA -0.032 4.621 4.640 0.022 0.000 0.220 488 D C 0.574 176.859 176.300 -0.025 0.000 0.994 488 D CA 0.411 54.379 54.000 -0.052 0.000 0.890 488 D CB -0.053 40.820 40.800 0.122 0.000 0.906 488 D HN 0.154 nan 8.370 nan 0.000 0.530 489 S N -0.655 114.901 115.700 -0.241 0.000 2.693 489 S HA 0.639 5.122 4.470 0.022 0.000 0.276 489 S C 0.813 175.392 174.600 -0.034 0.000 1.192 489 S CA -0.708 57.429 58.200 -0.104 0.000 0.994 489 S CB 1.837 64.781 63.200 -0.426 0.000 1.012 489 S HN 0.085 nan 8.310 nan 0.000 0.550 490 G N -0.507 108.314 108.800 0.035 0.000 2.508 490 G HA2 0.393 4.366 3.960 0.022 0.000 0.278 490 G HA3 0.393 4.366 3.960 0.022 0.000 0.278 490 G C 0.705 175.603 174.900 -0.003 0.000 1.389 490 G CA -0.945 44.167 45.100 0.021 0.000 1.050 490 G HN 0.711 nan 8.290 nan 0.000 0.522 491 L N -0.607 120.620 121.223 0.006 0.000 2.265 491 L HA 0.035 4.389 4.340 0.022 0.000 0.215 491 L C 0.898 177.773 176.870 0.008 0.000 1.117 491 L CA 1.188 56.030 54.840 0.003 0.000 0.782 491 L CB -0.316 41.750 42.059 0.012 0.000 0.914 491 L HN 0.463 nan 8.230 nan 0.000 0.441 492 E N -0.485 119.727 120.200 0.020 0.000 2.199 492 E HA 0.544 4.907 4.350 0.022 0.000 0.269 492 E C -1.190 175.434 176.600 0.040 0.000 0.899 492 E CA -0.315 56.103 56.400 0.031 0.000 0.772 492 E CB 3.295 33.016 29.700 0.036 0.000 1.155 492 E HN -0.194 nan 8.360 nan 0.000 0.408 493 V N 2.816 122.755 119.914 0.041 0.000 3.000 493 V HA 0.311 4.444 4.120 0.022 0.000 0.300 493 V C -1.779 174.366 176.094 0.084 0.000 1.251 493 V CA -0.764 61.569 62.300 0.056 0.000 0.972 493 V CB 2.369 34.158 31.823 -0.056 0.000 1.065 493 V HN 0.645 nan 8.190 nan 0.000 0.431 494 N N 5.673 124.453 118.700 0.135 0.000 2.399 494 N HA 0.674 5.427 4.740 0.022 0.000 0.295 494 N C -1.138 174.440 175.510 0.113 0.000 1.048 494 N CA -0.260 52.883 53.050 0.154 0.000 0.886 494 N CB 2.164 40.735 38.487 0.139 0.000 1.185 494 N HN 0.617 nan 8.380 nan 0.000 0.487 495 I N 1.445 122.048 120.570 0.056 0.000 2.499 495 I HA 0.318 4.501 4.170 0.022 0.000 0.288 495 I C -0.602 175.481 176.117 -0.057 0.000 1.048 495 I CA -0.986 60.307 61.300 -0.011 0.000 1.062 495 I CB 2.109 40.075 38.000 -0.057 0.000 1.238 495 I HN -0.050 nan 8.210 nan 0.000 0.426 496 V N 4.518 124.352 119.914 -0.133 0.000 2.398 496 V HA 0.590 4.723 4.120 0.022 0.000 0.286 496 V C 0.080 176.137 176.094 -0.060 0.000 1.026 496 V CA -0.232 61.961 62.300 -0.177 0.000 0.868 496 V CB 1.789 33.302 31.823 -0.517 0.000 0.982 496 V HN 0.864 nan 8.190 nan 0.000 0.443 497 T N 1.428 115.983 114.554 0.002 0.000 2.865 497 T HA 0.422 4.785 4.350 0.022 0.000 0.294 497 T C -0.316 174.419 174.700 0.059 0.000 1.119 497 T CA -0.252 61.888 62.100 0.067 0.000 1.007 497 T CB 1.966 70.903 68.868 0.115 0.000 1.225 497 T HN 0.850 nan 8.240 nan 0.000 0.515 498 D N 0.085 120.549 120.400 0.106 0.000 2.469 498 D HA 0.155 4.808 4.640 0.022 0.000 0.213 498 D C 0.331 176.864 176.300 0.389 0.000 1.135 498 D CA -0.169 53.877 54.000 0.075 0.000 0.834 498 D CB 0.140 40.945 40.800 0.007 0.000 1.009 498 D HN 0.259 nan 8.370 nan 0.000 0.507 499 S N 0.837 116.754 115.700 0.362 0.000 2.399 499 S HA 0.095 4.578 4.470 0.022 0.000 0.301 499 S C 1.247 176.020 174.600 0.289 0.000 1.093 499 S CA -0.471 57.921 58.200 0.320 0.000 1.077 499 S CB 0.876 64.232 63.200 0.259 0.000 0.980 499 S HN 0.121 nan 8.310 nan 0.000 0.494 500 Q N 4.038 123.956 119.800 0.197 0.000 2.124 500 Q HA -0.181 4.172 4.340 0.022 0.000 0.202 500 Q C 1.316 177.315 176.000 -0.002 0.000 0.977 500 Q CA 1.414 57.148 55.803 -0.116 0.000 0.850 500 Q CB -0.540 28.055 28.738 -0.239 0.000 0.901 500 Q HN 0.926 nan 8.270 nan 0.000 0.429 501 Y N 2.294 122.586 120.300 -0.014 0.000 1.993 501 Y HA -0.354 4.210 4.550 0.023 0.000 0.267 501 Y C 2.546 178.454 175.900 0.014 0.000 1.155 501 Y CA 1.879 59.982 58.100 0.005 0.000 1.105 501 Y CB -0.923 37.557 38.460 0.033 0.000 0.960 501 Y HN 0.097 nan 8.280 nan 0.000 0.486 502 A N 0.282 122.970 122.820 -0.220 0.000 1.917 502 A HA -0.240 4.093 4.320 0.022 0.000 0.219 502 A C 2.307 179.779 177.584 -0.187 0.000 1.182 502 A CA 2.019 53.875 52.037 -0.301 0.000 0.633 502 A CB -1.441 17.535 19.000 -0.041 0.000 0.819 502 A HN 0.660 nan 8.150 nan 0.000 0.448 503 L N -0.041 121.135 121.223 -0.079 0.000 1.989 503 L HA -0.067 4.286 4.340 0.022 0.000 0.211 503 L C 2.479 179.300 176.870 -0.081 0.000 1.071 503 L CA 2.562 57.365 54.840 -0.060 0.000 0.749 503 L CB -1.100 40.930 42.059 -0.048 0.000 0.890 503 L HN 0.310 nan 8.230 nan 0.000 0.431 504 G N -0.197 108.540 108.800 -0.105 0.000 2.476 504 G HA2 -0.286 3.687 3.960 0.022 0.000 0.218 504 G HA3 -0.286 3.687 3.960 0.022 0.000 0.218 504 G C 1.630 176.528 174.900 -0.004 0.000 1.164 504 G CA 1.323 46.387 45.100 -0.060 0.000 0.768 504 G HN 0.498 nan 8.290 nan 0.000 0.560 505 I N 0.487 120.992 120.570 -0.109 0.000 2.127 505 I HA -0.203 3.980 4.170 0.022 0.000 0.241 505 I C 2.722 178.814 176.117 -0.042 0.000 1.075 505 I CA 1.191 62.415 61.300 -0.126 0.000 1.334 505 I CB -0.251 37.507 38.000 -0.405 0.000 1.040 505 I HN 0.169 nan 8.210 nan 0.000 0.405 506 I N -0.063 120.474 120.570 -0.055 0.000 2.252 506 I HA -0.283 3.900 4.170 0.022 0.000 0.245 506 I C 2.616 178.801 176.117 0.113 0.000 1.102 506 I CA 1.157 62.477 61.300 0.033 0.000 1.385 506 I CB -0.373 37.626 38.000 -0.003 0.000 1.064 506 I HN 0.287 nan 8.210 nan 0.000 0.414 507 Q N 0.772 120.617 119.800 0.075 0.000 2.135 507 Q HA -0.226 4.127 4.340 0.022 0.000 0.204 507 Q C 2.317 178.416 176.000 0.165 0.000 0.981 507 Q CA 1.891 57.749 55.803 0.092 0.000 0.856 507 Q CB -0.154 28.616 28.738 0.054 0.000 0.902 507 Q HN 0.585 nan 8.270 nan 0.000 0.425 508 A N 0.055 123.015 122.820 0.234 0.000 2.070 508 A HA -0.189 4.144 4.320 0.022 0.000 0.220 508 A C 0.459 178.260 177.584 0.362 0.000 1.159 508 A CA 1.132 53.393 52.037 0.373 0.000 0.656 508 A CB -0.133 19.115 19.000 0.414 0.000 0.800 508 A HN 0.556 nan 8.150 nan 0.000 0.453 509 Q N -1.638 118.309 119.800 0.245 0.000 2.461 509 Q HA -0.111 4.242 4.340 0.022 0.000 0.298 509 Q C -2.382 173.667 176.000 0.081 0.000 1.399 509 Q CA 0.366 56.257 55.803 0.146 0.000 0.778 509 Q CB -1.871 26.882 28.738 0.026 0.000 1.130 509 Q HN 0.628 nan 8.270 nan 0.000 0.407 510 P HA -0.008 nan 4.420 nan 0.000 0.272 510 P C -0.018 177.359 177.300 0.129 0.000 1.223 510 P CA 0.513 63.680 63.100 0.112 0.000 0.784 510 P CB 0.653 32.429 31.700 0.127 0.000 0.923 511 D N -0.799 119.620 120.400 0.031 0.000 2.527 511 D HA 0.083 4.736 4.640 0.022 0.000 0.224 511 D C 0.087 176.324 176.300 -0.106 0.000 1.217 511 D CA -0.051 53.925 54.000 -0.040 0.000 0.819 511 D CB 0.138 40.871 40.800 -0.112 0.000 1.061 511 D HN 0.541 nan 8.370 nan 0.000 0.515 512 Q N -1.785 117.999 119.800 -0.025 0.000 2.503 512 Q HA 0.596 4.950 4.340 0.022 0.000 0.268 512 Q C -1.658 174.371 176.000 0.049 0.000 0.982 512 Q CA -0.925 54.864 55.803 -0.023 0.000 0.907 512 Q CB 1.637 30.358 28.738 -0.028 0.000 1.467 512 Q HN -0.046 nan 8.270 nan 0.000 0.394 513 S N -0.099 115.632 115.700 0.053 0.000 2.588 513 S HA 0.291 4.774 4.470 0.022 0.000 0.269 513 S C -0.181 174.461 174.600 0.070 0.000 1.157 513 S CA -0.423 57.853 58.200 0.127 0.000 0.824 513 S CB 1.768 65.120 63.200 0.252 0.000 1.126 513 S HN 0.665 nan 8.310 nan 0.000 0.464 514 E N 1.171 121.411 120.200 0.066 0.000 2.072 514 E HA 0.019 4.382 4.350 0.022 0.000 0.190 514 E C 0.902 177.525 176.600 0.038 0.000 0.982 514 E CA 0.660 57.078 56.400 0.030 0.000 0.803 514 E CB -0.583 29.121 29.700 0.006 0.000 0.755 514 E HN 0.433 nan 8.360 nan 0.000 0.453 515 S N 0.682 116.427 115.700 0.076 0.000 2.549 515 S HA -0.011 4.472 4.470 0.022 0.000 0.279 515 S C 1.093 175.696 174.600 0.006 0.000 1.321 515 S CA -0.205 58.027 58.200 0.053 0.000 1.054 515 S CB 1.217 64.474 63.200 0.094 0.000 0.899 515 S HN 0.184 nan 8.310 nan 0.000 0.497 516 E N 3.819 124.004 120.200 -0.025 0.000 2.107 516 E HA -0.092 4.271 4.350 0.022 0.000 0.191 516 E C 1.824 178.352 176.600 -0.120 0.000 0.982 516 E CA 0.687 57.050 56.400 -0.062 0.000 0.809 516 E CB -0.095 29.570 29.700 -0.060 0.000 0.756 516 E HN 0.823 nan 8.360 nan 0.000 0.459 517 L N 0.452 121.596 121.223 -0.132 0.000 1.963 517 L HA -0.290 4.063 4.340 0.022 0.000 0.220 517 L C 2.502 179.229 176.870 -0.238 0.000 1.076 517 L CA 1.687 56.386 54.840 -0.234 0.000 0.772 517 L CB -0.505 41.467 42.059 -0.146 0.000 0.892 517 L HN 0.146 nan 8.230 nan 0.000 0.435 518 V N 0.171 120.004 119.914 -0.135 0.000 2.317 518 V HA -0.376 3.757 4.120 0.022 0.000 0.251 518 V C 2.146 178.171 176.094 -0.116 0.000 1.065 518 V CA 2.390 64.614 62.300 -0.127 0.000 1.049 518 V CB -0.924 30.839 31.823 -0.101 0.000 0.651 518 V HN 0.539 nan 8.190 nan 0.000 0.450 519 N N -0.147 118.494 118.700 -0.099 0.000 2.120 519 N HA -0.180 4.574 4.740 0.022 0.000 0.188 519 N C 1.895 177.338 175.510 -0.111 0.000 1.024 519 N CA 1.438 54.432 53.050 -0.095 0.000 0.852 519 N CB -0.335 38.105 38.487 -0.080 0.000 1.003 519 N HN 0.627 nan 8.380 nan 0.000 0.424 520 Q N 0.204 119.904 119.800 -0.167 0.000 2.050 520 Q HA -0.052 4.301 4.340 0.022 0.000 0.202 520 Q C 2.039 178.026 176.000 -0.022 0.000 0.980 520 Q CA 1.082 56.798 55.803 -0.145 0.000 0.840 520 Q CB -0.197 28.271 28.738 -0.450 0.000 0.898 520 Q HN 0.406 nan 8.270 nan 0.000 0.424 521 I N 0.823 121.321 120.570 -0.120 0.000 2.118 521 I HA -0.330 3.853 4.170 0.022 0.000 0.241 521 I C 2.328 178.406 176.117 -0.064 0.000 1.070 521 I CA 1.306 62.620 61.300 0.023 0.000 1.327 521 I CB -0.464 37.506 38.000 -0.051 0.000 1.034 521 I HN 0.241 nan 8.210 nan 0.000 0.405 522 I N 0.446 120.949 120.570 -0.111 0.000 2.185 522 I HA -0.338 3.845 4.170 0.022 0.000 0.246 522 I C 2.588 178.607 176.117 -0.164 0.000 1.088 522 I CA 1.605 62.808 61.300 -0.162 0.000 1.347 522 I CB -0.494 37.457 38.000 -0.081 0.000 1.041 522 I HN 0.293 nan 8.210 nan 0.000 0.415 523 E N 0.647 120.794 120.200 -0.090 0.000 2.058 523 E HA -0.244 4.119 4.350 0.022 0.000 0.194 523 E C 2.220 178.793 176.600 -0.046 0.000 0.997 523 E CA 1.373 57.740 56.400 -0.055 0.000 0.801 523 E CB -0.048 29.642 29.700 -0.017 0.000 0.746 523 E HN 0.316 nan 8.360 nan 0.000 0.450 524 Q N -0.092 119.692 119.800 -0.026 0.000 2.061 524 Q HA -0.145 4.208 4.340 0.022 0.000 0.204 524 Q C 2.477 178.408 176.000 -0.115 0.000 0.984 524 Q CA 1.233 57.005 55.803 -0.051 0.000 0.846 524 Q CB -0.451 28.267 28.738 -0.035 0.000 0.902 524 Q HN 0.379 nan 8.270 nan 0.000 0.421 525 L N 0.181 121.277 121.223 -0.211 0.000 1.989 525 L HA -0.220 4.134 4.340 0.022 0.000 0.211 525 L C 2.463 179.179 176.870 -0.258 0.000 1.071 525 L CA 1.117 55.748 54.840 -0.347 0.000 0.749 525 L CB -0.625 40.976 42.059 -0.764 0.000 0.890 525 L HN 0.200 nan 8.230 nan 0.000 0.431 526 I N -0.330 120.116 120.570 -0.207 0.000 2.315 526 I HA -0.295 3.888 4.170 0.022 0.000 0.251 526 I C 2.513 178.672 176.117 0.071 0.000 1.125 526 I CA 1.097 62.427 61.300 0.049 0.000 1.392 526 I CB -0.381 37.714 38.000 0.159 0.000 1.065 526 I HN 0.307 nan 8.210 nan 0.000 0.424 527 K N 1.018 121.426 120.400 0.014 0.000 2.044 527 K HA 0.018 4.352 4.320 0.022 0.000 0.204 527 K C 0.798 177.408 176.600 0.016 0.000 1.049 527 K CA 0.604 56.905 56.287 0.023 0.000 0.945 527 K CB -0.373 32.128 32.500 0.002 0.000 0.724 527 K HN 0.203 nan 8.250 nan 0.000 0.440 528 K N 1.919 122.312 120.400 -0.013 0.000 2.542 528 K HA -0.090 4.243 4.320 0.022 0.000 0.276 528 K C 1.250 177.864 176.600 0.024 0.000 0.963 528 K CA 0.303 56.585 56.287 -0.008 0.000 0.975 528 K CB 0.427 32.907 32.500 -0.034 0.000 0.901 528 K HN 0.049 nan 8.250 nan 0.000 0.506 529 E N 1.741 121.957 120.200 0.026 0.000 2.051 529 E HA -0.018 4.346 4.350 0.022 0.000 0.189 529 E C -0.123 176.508 176.600 0.051 0.000 0.979 529 E CA 1.334 57.758 56.400 0.039 0.000 0.803 529 E CB 0.316 30.035 29.700 0.032 0.000 0.761 529 E HN 0.395 nan 8.360 nan 0.000 0.451 530 K N -0.476 119.953 120.400 0.047 0.000 2.523 530 K HA 0.488 4.821 4.320 0.022 0.000 0.257 530 K C -1.446 175.192 176.600 0.062 0.000 0.932 530 K CA -0.481 55.845 56.287 0.065 0.000 0.812 530 K CB 3.219 35.757 32.500 0.063 0.000 1.326 530 K HN -0.260 nan 8.250 nan 0.000 0.433 531 V N 2.646 122.611 119.914 0.085 0.000 2.612 531 V HA 0.269 4.402 4.120 0.022 0.000 0.301 531 V C -1.604 174.568 176.094 0.130 0.000 1.059 531 V CA -0.917 61.427 62.300 0.073 0.000 0.886 531 V CB 1.327 33.157 31.823 0.013 0.000 1.007 531 V HN 0.715 nan 8.190 nan 0.000 0.426 532 Y N 5.491 125.796 120.300 0.009 0.000 2.331 532 Y HA 0.778 5.341 4.550 0.021 0.000 0.338 532 Y C -0.803 175.100 175.900 0.005 0.000 0.992 532 Y CA -0.815 57.295 58.100 0.015 0.000 1.121 532 Y CB 1.715 40.183 38.460 0.013 0.000 1.184 532 Y HN 0.645 nan 8.280 nan 0.000 0.469 533 L N 5.939 126.903 121.223 -0.432 0.000 2.341 533 L HA 0.935 5.288 4.340 0.022 0.000 0.278 533 L C -1.187 175.411 176.870 -0.454 0.000 1.005 533 L CA -0.288 54.373 54.840 -0.298 0.000 0.818 533 L CB 1.386 43.347 42.059 -0.164 0.000 1.259 533 L HN 0.744 nan 8.230 nan 0.000 0.418 534 A N 3.686 126.382 122.820 -0.205 0.000 2.527 534 A HA 0.734 5.067 4.320 0.022 0.000 0.293 534 A C -2.178 175.459 177.584 0.089 0.000 1.117 534 A CA -0.569 51.415 52.037 -0.089 0.000 0.723 534 A CB 0.957 19.969 19.000 0.020 0.000 1.313 534 A HN 0.813 nan 8.150 nan 0.000 0.411 535 W N 0.913 122.179 121.300 -0.056 0.000 2.719 535 W HA 0.647 5.320 4.660 0.022 0.000 0.352 535 W C -1.122 175.402 176.519 0.008 0.000 1.085 535 W CA -0.345 56.988 57.345 -0.021 0.000 1.187 535 W CB 1.935 31.383 29.460 -0.020 0.000 1.417 535 W HN 1.104 nan 8.180 nan 0.000 0.557 536 V N 3.030 122.375 119.914 -0.948 0.000 2.817 536 V HA 0.594 4.727 4.120 0.022 0.000 0.303 536 V C -2.665 172.548 176.094 -1.468 0.000 1.151 536 V CA -2.467 59.242 62.300 -0.985 0.000 0.929 536 V CB 1.551 33.146 31.823 -0.380 0.000 1.030 536 V HN 0.560 nan 8.190 nan 0.000 0.427 537 P HA 0.256 nan 4.420 nan 0.000 0.266 537 P C 0.152 177.252 177.300 -0.334 0.000 1.195 537 P CA 0.632 63.282 63.100 -0.751 0.000 0.768 537 P CB 1.026 32.508 31.700 -0.365 0.000 0.838 538 A N 2.808 125.558 122.820 -0.117 0.000 2.296 538 A HA 0.332 4.665 4.320 0.022 0.000 0.264 538 A C 0.451 178.092 177.584 0.095 0.000 1.097 538 A CA 0.165 52.201 52.037 -0.001 0.000 0.811 538 A CB -0.677 18.363 19.000 0.067 0.000 1.072 538 A HN 0.941 nan 8.150 nan 0.000 0.495 539 H N 0.000 119.058 119.070 -0.021 0.000 2.539 539 H HA 0.000 4.569 4.556 0.022 0.000 0.296 539 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 539 H CB 0.000 29.762 29.762 0.000 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496