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 2ggi_1_A DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADcQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRcTRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.476 176.300 0.293 0.000 0.893 6 R CA 0.000 56.216 56.100 0.193 0.000 0.921 6 R CB 0.000 30.380 30.300 0.134 0.000 0.687 7 M N 1.659 121.366 119.600 0.179 0.000 2.240 7 M HA 0.336 4.817 4.480 0.001 0.000 0.333 7 M C 0.140 176.586 176.300 0.244 0.000 1.110 7 M CA 0.303 55.685 55.300 0.138 0.000 1.173 7 M CB -0.054 32.521 32.600 -0.041 0.000 1.458 7 M HN 0.484 nan 8.290 nan 0.000 0.458 8 F N -0.169 119.858 119.950 0.129 0.000 2.480 8 F HA 0.728 5.255 4.527 0.001 0.000 0.329 8 F C -0.519 175.362 175.800 0.136 0.000 1.091 8 F CA -1.190 56.898 58.000 0.148 0.000 0.972 8 F CB 1.034 40.154 39.000 0.201 0.000 1.150 8 F HN 0.459 nan 8.300 nan 0.000 0.467 9 K N 4.132 124.647 120.400 0.192 0.000 2.244 9 K HA 0.574 4.895 4.320 0.001 0.000 0.260 9 K C -1.301 175.432 176.600 0.221 0.000 0.951 9 K CA -0.648 55.698 56.287 0.098 0.000 0.826 9 K CB 1.237 33.765 32.500 0.047 0.000 1.108 9 K HN 0.878 nan 8.250 nan 0.000 0.433 10 I N 4.857 125.573 120.570 0.243 0.000 2.301 10 I HA 0.086 4.257 4.170 0.001 0.000 0.292 10 I C 0.612 176.837 176.117 0.180 0.000 1.046 10 I CA -0.055 61.399 61.300 0.257 0.000 1.282 10 I CB 1.258 39.430 38.000 0.287 0.000 1.409 10 I HN 0.787 nan 8.210 nan 0.000 0.484 11 E N 4.568 124.871 120.200 0.171 0.000 2.307 11 E HA 0.307 4.658 4.350 0.001 0.000 0.195 11 E C 0.373 177.050 176.600 0.128 0.000 0.975 11 E CA 0.061 56.537 56.400 0.126 0.000 0.878 11 E CB 0.579 30.341 29.700 0.105 0.000 0.845 11 E HN 0.725 nan 8.360 nan 0.000 0.488 12 A N 0.638 123.565 122.820 0.179 0.000 2.594 12 A HA 0.792 5.113 4.320 0.001 0.000 0.295 12 A C -1.610 176.134 177.584 0.267 0.000 1.071 12 A CA -0.408 51.741 52.037 0.186 0.000 0.685 12 A CB 1.759 20.813 19.000 0.090 0.000 1.285 12 A HN 0.076 nan 8.150 nan 0.000 0.405 13 A N 0.992 123.960 122.820 0.246 0.000 2.422 13 A HA 0.766 5.086 4.320 0.001 0.000 0.302 13 A C -0.872 176.862 177.584 0.250 0.000 1.041 13 A CA -0.443 51.732 52.037 0.231 0.000 0.708 13 A CB 1.079 20.173 19.000 0.157 0.000 1.257 13 A HN 0.750 nan 8.150 nan 0.000 0.414 14 E N 1.508 121.836 120.200 0.214 0.000 2.183 14 E HA 0.537 4.888 4.350 0.001 0.000 0.271 14 E C -1.161 175.517 176.600 0.130 0.000 0.919 14 E CA -0.442 56.063 56.400 0.175 0.000 0.781 14 E CB 2.330 32.125 29.700 0.159 0.000 1.140 14 E HN 0.582 nan 8.360 nan 0.000 0.402 15 I N 2.887 123.537 120.570 0.134 0.000 2.321 15 I HA 0.265 4.436 4.170 0.001 0.000 0.291 15 I C -0.748 175.399 176.117 0.051 0.000 0.998 15 I CA -0.904 60.445 61.300 0.083 0.000 1.227 15 I CB 1.230 39.284 38.000 0.091 0.000 1.368 15 I HN 0.182 nan 8.210 nan 0.000 0.466 16 V N 7.230 127.159 119.914 0.026 0.000 2.444 16 V HA 0.356 4.476 4.120 0.001 0.000 0.294 16 V C -0.127 175.960 176.094 -0.012 0.000 1.022 16 V CA -0.726 61.576 62.300 0.004 0.000 0.850 16 V CB 2.033 33.854 31.823 -0.005 0.000 0.992 16 V HN 0.379 nan 8.190 nan 0.000 0.426 17 V N 4.224 124.127 119.914 -0.017 0.000 2.347 17 V HA 0.774 4.894 4.120 0.001 0.000 0.280 17 V C 0.530 176.600 176.094 -0.040 0.000 1.021 17 V CA -0.357 61.929 62.300 -0.023 0.000 0.847 17 V CB 1.314 33.128 31.823 -0.015 0.000 0.990 17 V HN 0.991 nan 8.190 nan 0.000 0.444 18 A N 5.082 127.870 122.820 -0.052 0.000 2.306 18 A HA 0.832 5.153 4.320 0.001 0.000 0.330 18 A C 0.026 177.587 177.584 -0.039 0.000 1.146 18 A CA -0.802 51.191 52.037 -0.074 0.000 0.827 18 A CB 0.922 19.848 19.000 -0.123 0.000 1.178 18 A HN 0.806 nan 8.150 nan 0.000 0.490 19 R N 1.956 122.442 120.500 -0.023 0.000 2.312 19 R HA 0.464 4.805 4.340 0.001 0.000 0.310 19 R C -1.777 174.615 176.300 0.154 0.000 1.064 19 R CA -0.509 55.628 56.100 0.062 0.000 0.983 19 R CB 0.447 30.756 30.300 0.015 0.000 1.139 19 R HN 0.588 nan 8.270 nan 0.000 0.536 20 L N 6.663 127.964 121.223 0.131 0.000 2.264 20 L HA 0.515 4.856 4.340 0.001 0.000 0.289 20 L C -2.366 174.631 176.870 0.212 0.000 1.044 20 L CA -2.354 52.531 54.840 0.075 0.000 0.807 20 L CB 1.336 43.244 42.059 -0.252 0.000 1.192 20 L HN 0.495 nan 8.230 nan 0.000 0.425 21 P HA 0.118 nan 4.420 nan 0.000 0.267 21 P C -0.428 176.980 177.300 0.180 0.000 1.209 21 P CA -0.008 62.986 63.100 -0.176 0.000 0.763 21 P CB 0.405 32.046 31.700 -0.099 0.000 0.816 22 L N 2.429 123.696 121.223 0.073 0.000 2.474 22 L HA 0.194 4.534 4.340 0.001 0.000 0.259 22 L C 1.392 178.278 176.870 0.028 0.000 1.232 22 L CA -0.082 54.801 54.840 0.072 0.000 0.821 22 L CB 0.134 42.173 42.059 -0.034 0.000 1.108 22 L HN 0.394 nan 8.230 nan 0.000 0.495 35 H N 0.613 119.745 119.070 0.103 0.000 2.980 35 H HA 0.637 5.194 4.556 0.001 0.000 0.367 35 H C -1.287 174.138 175.328 0.162 0.000 1.206 35 H CA -0.756 55.377 56.048 0.142 0.000 1.126 35 H CB 2.341 32.161 29.762 0.096 0.000 1.838 35 H HN 0.300 nan 8.280 nan 0.000 0.552 36 K N 1.889 122.491 120.400 0.337 0.000 2.345 36 K HA 0.317 4.638 4.320 0.001 0.000 0.255 36 K C -1.007 175.702 176.600 0.182 0.000 0.934 36 K CA -0.701 55.752 56.287 0.276 0.000 0.801 36 K CB 2.013 34.766 32.500 0.422 0.000 1.137 36 K HN 0.250 nan 8.250 nan 0.000 0.424 37 V N 4.293 124.278 119.914 0.119 0.000 2.470 37 V HA 0.114 4.235 4.120 0.001 0.000 0.276 37 V C -0.224 175.895 176.094 0.043 0.000 1.040 37 V CA -0.401 61.936 62.300 0.062 0.000 1.008 37 V CB 1.128 32.975 31.823 0.040 0.000 0.990 37 V HN 0.427 nan 8.190 nan 0.000 0.477 38 V N 8.532 128.448 119.914 0.004 0.000 2.325 38 V HA 0.339 4.459 4.120 0.001 0.000 0.280 38 V C -2.389 173.688 176.094 -0.028 0.000 1.016 38 V CA -1.760 60.527 62.300 -0.022 0.000 0.818 38 V CB 1.694 33.465 31.823 -0.086 0.000 1.019 38 V HN 0.748 nan 8.190 nan 0.000 0.434 39 P HA 0.468 nan 4.420 nan 0.000 0.287 39 P C -0.915 176.375 177.300 -0.017 0.000 1.281 39 P CA -0.154 62.938 63.100 -0.014 0.000 0.781 39 P CB 0.955 32.650 31.700 -0.009 0.000 0.903 40 L N 3.353 124.568 121.223 -0.013 0.000 2.362 40 L HA 0.580 4.921 4.340 0.001 0.000 0.271 40 L C -0.334 176.539 176.870 0.005 0.000 1.002 40 L CA -1.162 53.673 54.840 -0.009 0.000 0.818 40 L CB 2.029 44.081 42.059 -0.012 0.000 1.298 40 L HN 0.203 nan 8.230 nan 0.000 0.420 41 L N 3.802 125.028 121.223 0.006 0.000 2.322 41 L HA 0.631 4.971 4.340 0.001 0.000 0.281 41 L C -0.885 175.990 176.870 0.008 0.000 1.014 41 L CA 0.032 54.882 54.840 0.017 0.000 0.815 41 L CB 1.437 43.506 42.059 0.017 0.000 1.247 41 L HN 0.386 nan 8.230 nan 0.000 0.421 42 I N 6.143 126.716 120.570 0.005 0.000 2.389 42 I HA 0.379 4.550 4.170 0.001 0.000 0.288 42 I C -0.848 175.214 176.117 -0.091 0.000 0.999 42 I CA -0.480 60.781 61.300 -0.066 0.000 1.129 42 I CB 1.548 39.501 38.000 -0.079 0.000 1.288 42 I HN 0.430 nan 8.210 nan 0.000 0.444 43 L N 5.894 127.039 121.223 -0.130 0.000 2.307 43 L HA 0.512 4.853 4.340 0.001 0.000 0.284 43 L C -0.447 176.325 176.870 -0.164 0.000 1.023 43 L CA -0.679 54.128 54.840 -0.054 0.000 0.810 43 L CB 1.185 43.258 42.059 0.023 0.000 1.231 43 L HN 0.519 nan 8.230 nan 0.000 0.423 44 H N 2.061 121.184 119.070 0.088 0.000 2.466 44 H HA 0.706 5.263 4.556 0.001 0.000 0.338 44 H C -0.154 175.240 175.328 0.109 0.000 1.091 44 H CA -0.475 55.623 56.048 0.082 0.000 1.207 44 H CB 2.284 32.087 29.762 0.068 0.000 1.466 44 H HN 0.782 nan 8.280 nan 0.000 0.493 45 G N 1.145 110.075 108.800 0.216 0.000 2.616 45 G HA2 0.199 4.160 3.960 0.001 0.000 0.294 45 G HA3 0.199 4.160 3.960 0.001 0.000 0.294 45 G C -0.781 174.218 174.900 0.165 0.000 1.489 45 G CA -0.841 44.383 45.100 0.206 0.000 0.836 45 G HN 0.447 nan 8.290 nan 0.000 0.527 46 E N -0.817 119.473 120.200 0.150 0.000 2.539 46 E HA -0.271 4.080 4.350 0.001 0.000 0.253 46 E C 1.500 178.152 176.600 0.086 0.000 1.145 46 E CA 2.024 58.496 56.400 0.120 0.000 0.738 46 E CB -1.580 28.208 29.700 0.146 0.000 1.308 46 E HN 2.535 nan 8.360 nan 0.000 0.409 47 G N -1.912 106.941 108.800 0.088 0.000 2.184 47 G HA2 -0.366 3.594 3.960 0.001 0.000 0.264 47 G HA3 -0.366 3.594 3.960 0.001 0.000 0.264 47 G C 0.531 175.474 174.900 0.071 0.000 0.975 47 G CA 1.228 46.371 45.100 0.072 0.000 0.642 47 G HN 1.003 nan 8.290 nan 0.000 0.536 48 V N -2.848 117.110 119.914 0.073 0.000 3.181 48 V HA 0.977 5.098 4.120 0.001 0.000 0.314 48 V C -0.278 175.842 176.094 0.044 0.000 1.173 48 V CA -0.201 62.125 62.300 0.043 0.000 1.052 48 V CB 1.758 33.580 31.823 -0.002 0.000 1.123 48 V HN 1.086 nan 8.190 nan 0.000 0.454 49 Q N 0.302 120.089 119.800 -0.021 0.000 2.416 49 Q HA 0.791 5.131 4.340 0.001 0.000 0.281 49 Q C -0.666 175.272 176.000 -0.102 0.000 1.067 49 Q CA -0.634 55.096 55.803 -0.122 0.000 0.809 49 Q CB 2.251 30.846 28.738 -0.238 0.000 1.418 49 Q HN 1.266 nan 8.270 nan 0.000 0.411 50 G N 0.731 109.465 108.800 -0.110 0.000 2.452 50 G HA2 0.603 4.564 3.960 0.001 0.000 0.324 50 G HA3 0.603 4.564 3.960 0.001 0.000 0.324 50 G C -1.229 173.655 174.900 -0.026 0.000 1.214 50 G CA -0.685 44.391 45.100 -0.041 0.000 0.947 50 G HN 0.418 nan 8.290 nan 0.000 0.478 51 V N 0.602 120.544 119.914 0.046 0.000 2.588 51 V HA 0.862 4.983 4.120 0.001 0.000 0.304 51 V C 0.175 176.375 176.094 0.176 0.000 1.042 51 V CA -0.574 61.765 62.300 0.065 0.000 0.877 51 V CB 1.215 33.062 31.823 0.040 0.000 0.996 51 V HN 1.243 nan 8.190 nan 0.000 0.425 52 A N 3.281 126.144 122.820 0.071 0.000 2.527 52 A HA 0.897 5.218 4.320 0.001 0.000 0.293 52 A C -1.012 176.548 177.584 -0.040 0.000 1.117 52 A CA -0.657 51.365 52.037 -0.025 0.000 0.723 52 A CB 2.009 20.922 19.000 -0.144 0.000 1.313 52 A HN 0.823 nan 8.150 nan 0.000 0.411 53 E N 0.614 120.764 120.200 -0.083 0.000 2.176 53 E HA 0.528 4.878 4.350 0.001 0.000 0.267 53 E C 0.129 176.693 176.600 -0.061 0.000 0.893 53 E CA -0.628 55.742 56.400 -0.050 0.000 0.761 53 E CB 1.543 31.227 29.700 -0.026 0.000 1.133 53 E HN 0.949 nan 8.360 nan 0.000 0.409 54 G N 1.512 110.290 108.800 -0.037 0.000 2.432 54 G HA2 0.175 4.135 3.960 0.001 0.000 0.257 54 G HA3 0.175 4.135 3.960 0.001 0.000 0.257 54 G C 0.633 175.517 174.900 -0.026 0.000 1.238 54 G CA 0.040 45.123 45.100 -0.029 0.000 0.838 54 G HN 0.601 nan 8.290 nan 0.000 0.547 55 T N 0.290 114.827 114.554 -0.028 0.000 3.085 55 T HA 0.204 4.555 4.350 0.001 0.000 0.264 55 T C 1.105 175.799 174.700 -0.011 0.000 1.019 55 T CA -0.417 61.663 62.100 -0.034 0.000 0.910 55 T CB -0.089 68.737 68.868 -0.069 0.000 1.059 55 T HN 0.533 nan 8.240 nan 0.000 0.542 56 M N 1.403 121.007 119.600 0.006 0.000 2.240 56 M HA 0.528 5.009 4.480 0.001 0.000 0.333 56 M C -0.660 175.648 176.300 0.014 0.000 1.110 56 M CA 0.069 55.381 55.300 0.019 0.000 1.173 56 M CB 0.226 32.835 32.600 0.014 0.000 1.458 56 M HN 0.098 nan 8.290 nan 0.000 0.458 57 E N 1.379 121.589 120.200 0.017 0.000 2.259 57 E HA 0.646 4.997 4.350 0.001 0.000 0.257 57 E C 0.948 177.552 176.600 0.007 0.000 0.998 57 E CA -0.514 55.895 56.400 0.016 0.000 0.866 57 E CB 1.068 30.781 29.700 0.021 0.000 1.220 57 E HN 0.752 nan 8.360 nan 0.000 0.415 58 A N 1.210 124.036 122.820 0.009 0.000 1.892 58 A HA -0.162 4.159 4.320 0.001 0.000 0.218 58 A C 0.803 178.386 177.584 -0.003 0.000 1.188 58 A CA 1.456 53.495 52.037 0.004 0.000 0.631 58 A CB -0.256 18.749 19.000 0.008 0.000 0.822 58 A HN 0.442 nan 8.150 nan 0.000 0.447 59 R N -0.679 119.819 120.500 -0.003 0.000 2.778 59 R HA 0.407 4.748 4.340 0.001 0.000 0.277 59 R C -2.864 173.423 176.300 -0.022 0.000 0.977 59 R CA -2.249 53.843 56.100 -0.012 0.000 0.950 59 R CB 1.151 31.444 30.300 -0.010 0.000 1.165 59 R HN 0.083 nan 8.270 nan 0.000 0.474 60 P HA 0.084 nan 4.420 nan 0.000 0.260 60 P C -0.450 176.781 177.300 -0.114 0.000 1.651 60 P CA 0.306 63.359 63.100 -0.078 0.000 1.139 60 P CB 0.462 32.109 31.700 -0.088 0.000 1.756 61 M N 1.330 120.880 119.600 -0.084 0.000 2.906 61 M HA 0.037 4.517 4.480 0.001 0.000 0.252 61 M C 1.889 178.119 176.300 -0.117 0.000 1.359 61 M CA 0.670 55.919 55.300 -0.085 0.000 1.239 61 M CB -0.372 32.217 32.600 -0.019 0.000 1.229 61 M HN 0.074 nan 8.290 nan 0.000 0.547 62 Y N 1.263 121.468 120.300 -0.159 0.000 2.220 62 Y HA 0.110 4.661 4.550 0.001 0.000 0.291 62 Y C 1.466 177.196 175.900 -0.283 0.000 1.129 62 Y CA 1.364 59.365 58.100 -0.165 0.000 1.161 62 Y CB 0.325 38.729 38.460 -0.094 0.000 0.997 62 Y HN -0.006 nan 8.280 nan 0.000 0.522 63 R N -1.092 119.153 120.500 -0.426 0.000 3.317 63 R HA 0.107 4.448 4.340 0.001 0.000 0.259 63 R C 1.055 177.126 176.300 -0.383 0.000 1.143 63 R CA 0.160 55.885 56.100 -0.625 0.000 0.969 63 R CB 0.441 30.460 30.300 -0.468 0.000 1.465 63 R HN 0.107 nan 8.270 nan 0.000 0.430 64 E N 0.895 120.940 120.200 -0.259 0.000 2.400 64 E HA 0.055 4.405 4.350 0.001 0.000 0.195 64 E C -0.600 175.966 176.600 -0.057 0.000 1.012 64 E CA 0.704 57.021 56.400 -0.138 0.000 0.875 64 E CB 0.404 30.088 29.700 -0.027 0.000 0.859 64 E HN 0.417 nan 8.360 nan 0.000 0.498 65 E N 1.137 121.317 120.200 -0.033 0.000 2.318 65 E HA 0.304 4.655 4.350 0.001 0.000 0.265 65 E C -0.262 176.330 176.600 -0.013 0.000 1.069 65 E CA -0.111 56.284 56.400 -0.008 0.000 0.893 65 E CB 1.288 30.996 29.700 0.013 0.000 1.076 65 E HN 0.250 nan 8.360 nan 0.000 0.414 66 T N -1.993 112.553 114.554 -0.013 0.000 2.906 66 T HA 0.375 4.726 4.350 0.001 0.000 0.295 66 T C 1.003 175.694 174.700 -0.015 0.000 1.075 66 T CA -0.749 61.343 62.100 -0.014 0.000 1.005 66 T CB 0.739 69.597 68.868 -0.017 0.000 1.136 66 T HN 0.387 nan 8.240 nan 0.000 0.498 67 I N 1.324 121.887 120.570 -0.012 0.000 2.163 67 I HA -0.142 4.029 4.170 0.001 0.000 0.243 67 I C 3.043 179.146 176.117 -0.024 0.000 1.085 67 I CA 1.936 63.228 61.300 -0.014 0.000 1.347 67 I CB -0.710 37.286 38.000 -0.007 0.000 1.044 67 I HN 0.910 nan 8.210 nan 0.000 0.408 68 A N 0.793 123.599 122.820 -0.023 0.000 1.908 68 A HA -0.177 4.144 4.320 0.001 0.000 0.218 68 A C 2.426 179.983 177.584 -0.045 0.000 1.181 68 A CA 2.135 54.154 52.037 -0.030 0.000 0.627 68 A CB -1.503 17.483 19.000 -0.024 0.000 0.818 68 A HN 0.493 nan 8.150 nan 0.000 0.445 69 G N -0.849 107.924 108.800 -0.045 0.000 2.404 69 G HA2 0.061 4.021 3.960 0.001 0.000 0.215 69 G HA3 0.061 4.021 3.960 0.001 0.000 0.215 69 G C 1.753 176.597 174.900 -0.093 0.000 1.174 69 G CA 1.385 46.448 45.100 -0.063 0.000 0.780 69 G HN 0.802 nan 8.290 nan 0.000 0.537 70 A N 0.520 123.297 122.820 -0.072 0.000 1.898 70 A HA 0.155 4.476 4.320 0.001 0.000 0.216 70 A C 2.420 179.938 177.584 -0.109 0.000 1.181 70 A CA 1.133 53.120 52.037 -0.083 0.000 0.620 70 A CB -0.371 18.609 19.000 -0.034 0.000 0.819 70 A HN 0.337 nan 8.150 nan 0.000 0.442 71 L N -0.698 120.478 121.223 -0.079 0.000 2.109 71 L HA -0.149 4.192 4.340 0.001 0.000 0.207 71 L C 2.337 179.143 176.870 -0.107 0.000 1.086 71 L CA 1.664 56.459 54.840 -0.074 0.000 0.760 71 L CB -0.614 41.422 42.059 -0.037 0.000 0.910 71 L HN 0.490 nan 8.230 nan 0.000 0.437 72 D N 0.441 120.774 120.400 -0.112 0.000 2.144 72 D HA -0.230 4.411 4.640 0.001 0.000 0.199 72 D C 2.110 178.282 176.300 -0.214 0.000 0.984 72 D CA 0.919 54.842 54.000 -0.128 0.000 0.834 72 D CB 0.131 40.868 40.800 -0.104 0.000 0.955 72 D HN 0.099 nan 8.370 nan 0.000 0.465 73 L N 0.054 121.100 121.223 -0.295 0.000 2.056 73 L HA 0.011 4.352 4.340 0.001 0.000 0.207 73 L C 2.092 178.578 176.870 -0.639 0.000 1.078 73 L CA 1.293 55.812 54.840 -0.535 0.000 0.749 73 L CB -0.423 41.253 42.059 -0.638 0.000 0.901 73 L HN 0.192 nan 8.230 nan 0.000 0.433 74 L N -0.355 120.628 121.223 -0.401 0.000 1.976 74 L HA -0.229 4.112 4.340 0.001 0.000 0.209 74 L C 2.838 179.565 176.870 -0.238 0.000 1.071 74 L CA 2.066 56.768 54.840 -0.229 0.000 0.746 74 L CB -0.646 41.347 42.059 -0.108 0.000 0.890 74 L HN 0.390 nan 8.230 nan 0.000 0.432 75 R N -0.040 120.310 120.500 -0.250 0.000 2.119 75 R HA -0.024 4.317 4.340 0.001 0.000 0.222 75 R C 1.974 178.156 176.300 -0.196 0.000 1.088 75 R CA 1.298 57.211 56.100 -0.312 0.000 0.984 75 R CB -0.634 29.559 30.300 -0.178 0.000 0.884 75 R HN 0.250 nan 8.270 nan 0.000 0.447 76 G N -0.855 107.840 108.800 -0.175 0.000 2.838 76 G HA2 0.036 3.997 3.960 0.001 0.000 0.210 76 G HA3 0.036 3.997 3.960 0.001 0.000 0.210 76 G C 0.662 175.471 174.900 -0.152 0.000 1.153 76 G CA 0.648 45.669 45.100 -0.133 0.000 0.778 76 G HN 0.370 nan 8.290 nan 0.000 0.539 77 T N -0.465 113.951 114.554 -0.230 0.000 3.358 77 T HA 0.179 4.529 4.350 0.001 0.000 0.263 77 T C 1.649 176.342 174.700 -0.013 0.000 0.998 77 T CA -0.213 61.753 62.100 -0.224 0.000 1.130 77 T CB -0.066 68.473 68.868 -0.548 0.000 1.165 77 T HN -0.028 nan 8.240 nan 0.000 0.426 78 F N 2.182 122.031 119.950 -0.167 0.000 2.113 78 F HA 0.247 4.775 4.527 0.001 0.000 0.297 78 F C 2.198 177.958 175.800 -0.067 0.000 1.103 78 F CA 0.244 58.180 58.000 -0.107 0.000 1.248 78 F CB -1.283 37.655 39.000 -0.104 0.000 0.999 78 F HN 0.069 nan 8.300 nan 0.000 0.475 79 L N -0.237 121.041 121.223 0.092 0.000 2.017 79 L HA -0.161 4.180 4.340 0.001 0.000 0.208 79 L C -0.258 176.640 176.870 0.046 0.000 1.073 79 L CA 1.453 56.307 54.840 0.024 0.000 0.745 79 L CB -2.120 39.869 42.059 -0.116 0.000 0.894 79 L HN 0.049 nan 8.230 nan 0.000 0.432 80 P HA -0.177 nan 4.420 nan 0.000 0.218 80 P C 1.327 178.676 177.300 0.082 0.000 1.148 80 P CA 1.681 64.812 63.100 0.053 0.000 0.822 80 P CB -0.007 31.713 31.700 0.034 0.000 0.784 81 A N -0.519 122.366 122.820 0.109 0.000 2.014 81 A HA -0.095 4.226 4.320 0.001 0.000 0.218 81 A C 2.019 179.700 177.584 0.161 0.000 1.163 81 A CA 1.397 53.515 52.037 0.135 0.000 0.652 81 A CB -1.234 17.869 19.000 0.172 0.000 0.808 81 A HN 0.366 nan 8.150 nan 0.000 0.449 82 I N -4.169 116.502 120.570 0.168 0.000 3.939 82 I HA 0.329 4.500 4.170 0.001 0.000 0.313 82 I C 0.116 176.373 176.117 0.233 0.000 1.274 82 I CA -0.284 61.178 61.300 0.271 0.000 1.301 82 I CB -0.050 38.041 38.000 0.152 0.000 1.105 82 I HN -0.054 nan 8.210 nan 0.000 0.427 83 L N 3.508 124.819 121.223 0.148 0.000 2.499 83 L HA 0.249 4.590 4.340 0.001 0.000 0.273 83 L C 1.432 178.357 176.870 0.092 0.000 1.195 83 L CA 1.259 56.176 54.840 0.127 0.000 0.882 83 L CB 0.436 42.561 42.059 0.109 0.000 1.133 83 L HN 0.617 nan 8.230 nan 0.000 0.483 84 G N 1.430 110.277 108.800 0.080 0.000 2.205 84 G HA2 -0.214 3.746 3.960 0.001 0.000 0.261 84 G HA3 -0.214 3.746 3.960 0.001 0.000 0.261 84 G C 0.314 175.192 174.900 -0.038 0.000 0.980 84 G CA -0.326 44.790 45.100 0.027 0.000 0.632 84 G HN 0.516 nan 8.290 nan 0.000 0.533 85 Q N 0.443 120.205 119.800 -0.062 0.000 2.221 85 Q HA 0.634 4.975 4.340 0.001 0.000 0.242 85 Q C -0.165 175.522 176.000 -0.523 0.000 0.940 85 Q CA 0.126 55.735 55.803 -0.322 0.000 0.896 85 Q CB 1.344 29.828 28.738 -0.423 0.000 1.226 85 Q HN 0.218 nan 8.270 nan 0.000 0.463 86 T N 1.715 115.802 114.554 -0.777 0.000 2.829 86 T HA 0.688 5.039 4.350 0.001 0.000 0.280 86 T C -0.870 173.218 174.700 -1.020 0.000 0.999 86 T CA -0.299 61.408 62.100 -0.654 0.000 0.983 86 T CB 0.319 68.983 68.868 -0.339 0.000 0.968 86 T HN 0.251 nan 8.240 nan 0.000 0.446 87 F N 0.361 119.930 119.950 -0.636 0.000 2.565 87 F HA 0.584 5.112 4.527 0.001 0.000 0.313 87 F C 1.022 176.382 175.800 -0.733 0.000 1.091 87 F CA -1.223 56.320 58.000 -0.761 0.000 0.915 87 F CB 1.581 39.943 39.000 -1.063 0.000 1.208 87 F HN 0.646 nan 8.300 nan 0.000 0.453 88 A N 2.316 124.971 122.820 -0.275 0.000 1.929 88 A HA 0.084 4.405 4.320 0.001 0.000 0.216 88 A C 0.383 177.685 177.584 -0.471 0.000 1.176 88 A CA 1.312 53.200 52.037 -0.248 0.000 0.628 88 A CB -0.543 18.356 19.000 -0.167 0.000 0.816 88 A HN 0.862 nan 8.150 nan 0.000 0.444 89 N N -3.624 114.784 118.700 -0.487 0.000 3.116 89 N HA 0.211 4.952 4.740 0.001 0.000 0.244 89 N C -3.045 172.126 175.510 -0.565 0.000 1.485 89 N CA -1.402 51.109 53.050 -0.897 0.000 0.884 89 N CB 0.766 38.730 38.487 -0.871 0.000 1.415 89 N HN -0.293 nan 8.380 nan 0.000 0.524 90 P HA -0.061 nan 4.420 nan 0.000 0.220 90 P C 0.619 177.665 177.300 -0.424 0.000 1.148 90 P CA 1.352 64.023 63.100 -0.714 0.000 0.803 90 P CB 0.175 30.947 31.700 -1.547 0.000 0.782 91 E N -0.176 119.828 120.200 -0.327 0.000 2.110 91 E HA -0.124 4.227 4.350 0.001 0.000 0.193 91 E C 2.140 178.656 176.600 -0.140 0.000 0.988 91 E CA 1.438 57.758 56.400 -0.134 0.000 0.804 91 E CB -1.065 28.602 29.700 -0.055 0.000 0.745 91 E HN 0.153 nan 8.360 nan 0.000 0.458 92 A N 0.400 123.118 122.820 -0.171 0.000 1.930 92 A HA -0.139 4.181 4.320 0.001 0.000 0.217 92 A C 2.414 179.916 177.584 -0.137 0.000 1.175 92 A CA 1.247 53.239 52.037 -0.076 0.000 0.627 92 A CB -0.598 18.399 19.000 -0.004 0.000 0.815 92 A HN 0.146 nan 8.150 nan 0.000 0.443 93 V N -0.385 119.250 119.914 -0.466 0.000 2.261 93 V HA -0.227 3.894 4.120 0.001 0.000 0.246 93 V C 2.778 178.644 176.094 -0.381 0.000 1.047 93 V CA 2.340 64.164 62.300 -0.793 0.000 1.015 93 V CB -1.026 30.333 31.823 -0.773 0.000 0.642 93 V HN 0.544 nan 8.190 nan 0.000 0.446 94 S N -0.162 115.383 115.700 -0.259 0.000 2.365 94 S HA -0.312 4.158 4.470 0.001 0.000 0.225 94 S C 1.854 176.372 174.600 -0.136 0.000 1.039 94 S CA 2.067 60.159 58.200 -0.181 0.000 1.033 94 S CB -0.560 62.582 63.200 -0.096 0.000 0.887 94 S HN 0.815 nan 8.310 nan 0.000 0.447 95 D N 1.198 121.542 120.400 -0.092 0.000 2.158 95 D HA -0.120 4.521 4.640 0.001 0.000 0.197 95 D C 1.769 178.056 176.300 -0.023 0.000 0.995 95 D CA 1.281 55.255 54.000 -0.044 0.000 0.846 95 D CB -0.243 40.543 40.800 -0.024 0.000 0.941 95 D HN 0.375 nan 8.370 nan 0.000 0.456 96 A N -0.510 122.303 122.820 -0.011 0.000 2.121 96 A HA 0.031 4.351 4.320 0.001 0.000 0.218 96 A C 2.013 179.620 177.584 0.038 0.000 1.154 96 A CA 0.633 52.703 52.037 0.056 0.000 0.679 96 A CB -0.383 18.727 19.000 0.182 0.000 0.795 96 A HN 0.343 nan 8.150 nan 0.000 0.458 97 L N -1.949 119.244 121.223 -0.050 0.000 2.038 97 L HA 0.264 4.604 4.340 0.001 0.000 0.205 97 L C 2.448 179.379 176.870 0.101 0.000 1.151 97 L CA 0.876 55.699 54.840 -0.029 0.000 0.799 97 L CB -1.264 40.526 42.059 -0.448 0.000 0.926 97 L HN 0.460 nan 8.230 nan 0.000 0.457 98 G N -0.517 108.298 108.800 0.024 0.000 2.779 98 G HA2 -0.384 3.577 3.960 0.001 0.000 0.230 98 G HA3 -0.384 3.577 3.960 0.001 0.000 0.230 98 G C 1.300 176.179 174.900 -0.035 0.000 1.243 98 G CA 0.851 45.950 45.100 -0.001 0.000 0.769 98 G HN 0.340 nan 8.290 nan 0.000 0.516 99 S N 0.245 115.856 115.700 -0.149 0.000 2.383 99 S HA 0.126 4.596 4.470 0.001 0.000 0.227 99 S C 1.042 175.457 174.600 -0.309 0.000 1.026 99 S CA 1.094 59.091 58.200 -0.338 0.000 0.981 99 S CB -0.180 62.638 63.200 -0.637 0.000 0.818 99 S HN 0.570 nan 8.310 nan 0.000 0.472 100 Y N 1.959 122.316 120.300 0.096 0.000 2.411 100 Y HA 0.293 4.843 4.550 0.001 0.000 0.333 100 Y C 1.027 176.987 175.900 0.101 0.000 1.186 100 Y CA -0.428 57.747 58.100 0.126 0.000 1.381 100 Y CB 0.396 39.002 38.460 0.242 0.000 1.273 100 Y HN -0.082 nan 8.280 nan 0.000 0.546 101 R N 1.739 122.369 120.500 0.218 0.000 2.349 101 R HA 0.422 4.763 4.340 0.001 0.000 0.299 101 R C 0.809 177.194 176.300 0.141 0.000 1.027 101 R CA 0.181 56.362 56.100 0.135 0.000 0.958 101 R CB 1.039 31.392 30.300 0.088 0.000 1.047 101 R HN 0.999 nan 8.270 nan 0.000 0.468 102 G N 2.900 111.768 108.800 0.112 0.000 2.596 102 G HA2 -0.450 3.511 3.960 0.001 0.000 0.295 102 G HA3 -0.450 3.511 3.960 0.001 0.000 0.295 102 G C -0.121 174.857 174.900 0.130 0.000 1.240 102 G CA 0.503 45.666 45.100 0.105 0.000 0.985 102 G HN 0.884 nan 8.290 nan 0.000 0.555 103 N N -0.772 117.996 118.700 0.113 0.000 2.727 103 N HA -0.199 4.542 4.740 0.001 0.000 0.249 103 N C 1.258 176.851 175.510 0.139 0.000 1.048 103 N CA 1.261 54.384 53.050 0.121 0.000 0.714 103 N CB -0.452 38.120 38.487 0.142 0.000 0.959 103 N HN 0.703 nan 8.380 nan 0.000 0.544 104 R N -0.142 120.418 120.500 0.099 0.000 2.115 104 R HA 0.026 4.367 4.340 0.001 0.000 0.230 104 R C 1.828 178.164 176.300 0.061 0.000 1.111 104 R CA 1.612 57.758 56.100 0.076 0.000 0.976 104 R CB -0.085 30.250 30.300 0.058 0.000 0.870 104 R HN 0.467 nan 8.270 nan 0.000 0.445 105 M N -0.452 119.184 119.600 0.060 0.000 2.175 105 M HA -0.066 4.415 4.480 0.001 0.000 0.264 105 M C 2.429 178.759 176.300 0.051 0.000 1.063 105 M CA 1.479 56.802 55.300 0.038 0.000 1.119 105 M CB -0.158 32.464 32.600 0.036 0.000 1.377 105 M HN 0.213 nan 8.290 nan 0.000 0.415 106 A N 0.749 123.626 122.820 0.094 0.000 1.873 106 A HA -0.140 4.181 4.320 0.001 0.000 0.215 106 A C 2.168 179.895 177.584 0.240 0.000 1.186 106 A CA 1.446 53.571 52.037 0.146 0.000 0.616 106 A CB -0.582 18.500 19.000 0.136 0.000 0.823 106 A HN 0.407 nan 8.150 nan 0.000 0.442 107 R N -0.490 120.154 120.500 0.240 0.000 2.105 107 R HA -0.121 4.219 4.340 0.001 0.000 0.239 107 R C 2.432 178.720 176.300 -0.021 0.000 1.135 107 R CA 1.222 57.338 56.100 0.027 0.000 0.967 107 R CB -0.494 29.784 30.300 -0.037 0.000 0.861 107 R HN 0.521 nan 8.270 nan 0.000 0.442 108 A N 1.048 123.868 122.820 -0.000 0.000 1.933 108 A HA -0.177 4.144 4.320 0.001 0.000 0.218 108 A C 2.166 179.719 177.584 -0.052 0.000 1.175 108 A CA 1.324 53.336 52.037 -0.041 0.000 0.628 108 A CB -0.408 18.553 19.000 -0.065 0.000 0.814 108 A HN 0.199 nan 8.150 nan 0.000 0.444 109 M N -0.752 118.834 119.600 -0.022 0.000 2.065 109 M HA -0.177 4.304 4.480 0.001 0.000 0.259 109 M C 2.136 178.431 176.300 -0.009 0.000 1.069 109 M CA 1.815 57.101 55.300 -0.023 0.000 1.110 109 M CB -0.587 32.019 32.600 0.010 0.000 1.328 109 M HN 0.280 nan 8.290 nan 0.000 0.405 110 V N -0.022 119.894 119.914 0.004 0.000 2.237 110 V HA -0.247 3.874 4.120 0.001 0.000 0.245 110 V C 2.411 178.487 176.094 -0.030 0.000 1.046 110 V CA 1.972 64.259 62.300 -0.022 0.000 1.007 110 V CB -0.870 30.909 31.823 -0.072 0.000 0.638 110 V HN 0.496 nan 8.190 nan 0.000 0.445 111 E N -0.105 120.076 120.200 -0.031 0.000 2.085 111 E HA -0.246 4.105 4.350 0.001 0.000 0.194 111 E C 2.193 178.915 176.600 0.204 0.000 0.994 111 E CA 1.889 58.313 56.400 0.039 0.000 0.801 111 E CB -0.137 29.600 29.700 0.061 0.000 0.743 111 E HN 0.577 nan 8.360 nan 0.000 0.453 112 M N -0.292 119.396 119.600 0.147 0.000 2.156 112 M HA -0.081 4.400 4.480 0.001 0.000 0.264 112 M C 2.449 178.926 176.300 0.295 0.000 1.067 112 M CA 1.311 56.746 55.300 0.225 0.000 1.131 112 M CB -0.182 32.295 32.600 -0.206 0.000 1.368 112 M HN 0.091 nan 8.290 nan 0.000 0.416 113 A N 0.597 123.494 122.820 0.129 0.000 1.933 113 A HA -0.084 4.236 4.320 0.001 0.000 0.218 113 A C 2.367 180.008 177.584 0.095 0.000 1.175 113 A CA 1.952 54.060 52.037 0.119 0.000 0.628 113 A CB -0.928 18.099 19.000 0.045 0.000 0.814 113 A HN 0.492 nan 8.150 nan 0.000 0.444 114 A N -1.441 121.413 122.820 0.057 0.000 1.902 114 A HA -0.167 4.154 4.320 0.001 0.000 0.217 114 A C 1.971 179.508 177.584 -0.078 0.000 1.181 114 A CA 1.387 53.400 52.037 -0.040 0.000 0.623 114 A CB -0.928 18.007 19.000 -0.108 0.000 0.818 114 A HN 0.738 nan 8.150 nan 0.000 0.443 115 W N -0.031 121.321 121.300 0.086 0.000 2.338 115 W HA -0.184 4.477 4.660 0.001 0.000 0.304 115 W C 2.085 178.629 176.519 0.041 0.000 1.212 115 W CA 1.575 58.994 57.345 0.124 0.000 1.264 115 W CB -0.209 29.352 29.460 0.168 0.000 1.142 115 W HN 0.471 nan 8.180 nan 0.000 0.512 116 D N -0.212 120.341 120.400 0.256 0.000 2.117 116 D HA -0.175 4.465 4.640 0.001 0.000 0.198 116 D C 2.016 178.298 176.300 -0.029 0.000 0.982 116 D CA 1.245 55.285 54.000 0.066 0.000 0.828 116 D CB -0.404 40.446 40.800 0.082 0.000 0.967 116 D HN 0.026 nan 8.370 nan 0.000 0.464 117 L N 0.422 121.616 121.223 -0.049 0.000 2.027 117 L HA -0.033 4.307 4.340 0.001 0.000 0.206 117 L C 2.174 178.916 176.870 -0.214 0.000 1.074 117 L CA 1.678 56.442 54.840 -0.126 0.000 0.745 117 L CB -0.930 41.053 42.059 -0.127 0.000 0.898 117 L HN 0.367 nan 8.230 nan 0.000 0.433 118 W N 0.566 121.523 121.300 -0.572 0.000 2.333 118 W HA -0.280 4.381 4.660 0.002 0.000 0.316 118 W C 2.137 178.477 176.519 -0.299 0.000 1.215 118 W CA 1.798 58.742 57.345 -0.668 0.000 1.278 118 W CB -0.357 28.621 29.460 -0.803 0.000 1.154 118 W HN 0.341 nan 8.180 nan 0.000 0.486 119 A N 1.492 124.111 122.820 -0.335 0.000 1.917 119 A HA -0.264 4.057 4.320 0.001 0.000 0.219 119 A C 2.009 179.410 177.584 -0.305 0.000 1.182 119 A CA 2.244 54.062 52.037 -0.366 0.000 0.633 119 A CB -0.998 17.904 19.000 -0.163 0.000 0.819 119 A HN 0.478 nan 8.150 nan 0.000 0.448 120 R N -0.762 119.609 120.500 -0.216 0.000 2.115 120 R HA -0.071 4.270 4.340 0.001 0.000 0.226 120 R C 2.394 178.600 176.300 -0.157 0.000 1.100 120 R CA 1.600 57.603 56.100 -0.161 0.000 0.980 120 R CB -0.649 29.584 30.300 -0.112 0.000 0.875 120 R HN 0.780 nan 8.270 nan 0.000 0.445 121 T N -0.935 113.508 114.554 -0.185 0.000 2.881 121 T HA -0.059 4.291 4.350 0.001 0.000 0.270 121 T C 1.721 176.306 174.700 -0.192 0.000 1.068 121 T CA 0.978 62.997 62.100 -0.135 0.000 1.131 121 T CB -0.074 68.760 68.868 -0.057 0.000 0.871 121 T HN 0.164 nan 8.240 nan 0.000 0.479 122 L N 0.024 121.053 121.223 -0.323 0.000 2.513 122 L HA 0.416 4.757 4.340 0.001 0.000 0.222 122 L C 2.009 178.755 176.870 -0.207 0.000 1.096 122 L CA 0.325 54.975 54.840 -0.317 0.000 0.857 122 L CB -0.350 41.398 42.059 -0.519 0.000 1.026 122 L HN 0.540 nan 8.230 nan 0.000 0.469 123 G N 1.122 109.813 108.800 -0.181 0.000 2.160 123 G HA2 -0.222 3.738 3.960 0.001 0.000 0.244 123 G HA3 -0.222 3.738 3.960 0.001 0.000 0.244 123 G C -0.078 174.750 174.900 -0.120 0.000 1.022 123 G CA 0.145 45.170 45.100 -0.125 0.000 0.741 123 G HN 0.122 nan 8.290 nan 0.000 0.508 124 V N 0.311 120.131 119.914 -0.156 0.000 2.555 124 V HA 0.558 4.679 4.120 0.001 0.000 0.302 124 V C -1.805 174.219 176.094 -0.117 0.000 1.038 124 V CA -2.077 60.148 62.300 -0.125 0.000 0.887 124 V CB 2.127 33.865 31.823 -0.141 0.000 0.991 124 V HN 0.076 nan 8.190 nan 0.000 0.434 125 P HA 0.050 nan 4.420 nan 0.000 0.267 125 P C 0.584 177.821 177.300 -0.105 0.000 1.200 125 P CA -0.144 62.924 63.100 -0.054 0.000 0.772 125 P CB 0.667 32.409 31.700 0.070 0.000 0.855 126 L N 3.900 124.952 121.223 -0.285 0.000 2.027 126 L HA -0.026 4.314 4.340 0.001 0.000 0.206 126 L C 2.261 179.029 176.870 -0.171 0.000 1.074 126 L CA 2.573 57.236 54.840 -0.295 0.000 0.745 126 L CB -1.737 39.981 42.059 -0.567 0.000 0.898 126 L HN 0.507 nan 8.230 nan 0.000 0.433 127 G N -1.630 107.199 108.800 0.049 0.000 2.469 127 G HA2 -0.296 3.664 3.960 0.001 0.000 0.220 127 G HA3 -0.296 3.664 3.960 0.001 0.000 0.220 127 G C 1.425 176.307 174.900 -0.030 0.000 1.136 127 G CA 1.361 46.463 45.100 0.003 0.000 0.759 127 G HN 0.463 nan 8.290 nan 0.000 0.562 128 T N 1.254 115.815 114.554 0.012 0.000 2.684 128 T HA -0.063 4.288 4.350 0.001 0.000 0.267 128 T C 2.385 177.093 174.700 0.014 0.000 1.036 128 T CA 1.029 63.139 62.100 0.016 0.000 1.148 128 T CB -0.229 68.648 68.868 0.015 0.000 0.863 128 T HN 0.171 nan 8.240 nan 0.000 0.436 129 L N 0.352 121.581 121.223 0.011 0.000 2.201 129 L HA 0.037 4.377 4.340 0.001 0.000 0.212 129 L C 2.177 179.087 176.870 0.068 0.000 1.105 129 L CA 0.854 55.748 54.840 0.091 0.000 0.775 129 L CB -0.430 41.751 42.059 0.202 0.000 0.913 129 L HN 0.269 nan 8.230 nan 0.000 0.440 130 L N -0.825 120.338 121.223 -0.100 0.000 2.478 130 L HA 0.081 4.422 4.340 0.001 0.000 0.223 130 L C 1.508 178.326 176.870 -0.086 0.000 1.140 130 L CA 0.722 55.447 54.840 -0.193 0.000 0.842 130 L CB -0.321 41.521 42.059 -0.361 0.000 0.953 130 L HN 0.486 nan 8.230 nan 0.000 0.452 131 G N -0.504 108.282 108.800 -0.025 0.000 2.179 131 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 131 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 131 G C 0.510 175.427 174.900 0.029 0.000 0.990 131 G CA -0.335 44.780 45.100 0.026 0.000 0.646 131 G HN 0.482 nan 8.290 nan 0.000 0.517 132 G N -0.413 108.368 108.800 -0.032 0.000 2.503 132 G HA2 0.605 4.566 3.960 0.001 0.000 0.257 132 G HA3 0.605 4.566 3.960 0.001 0.000 0.257 132 G C 0.141 175.041 174.900 0.000 0.000 1.214 132 G CA 0.281 45.333 45.100 -0.080 0.000 0.839 132 G HN 1.400 nan 8.290 nan 0.000 0.559 133 H N -1.997 117.069 119.070 -0.007 0.000 2.904 133 H HA 0.365 4.922 4.556 0.001 0.000 0.242 133 H C 0.157 175.478 175.328 -0.011 0.000 1.193 133 H CA -0.665 55.378 56.048 -0.009 0.000 0.946 133 H CB -0.165 29.598 29.762 0.002 0.000 2.135 133 H HN 0.294 nan 8.280 nan 0.000 0.652 134 K N 1.020 121.365 120.400 -0.092 0.000 2.218 134 K HA 0.148 4.468 4.320 0.001 0.000 0.276 134 K C 0.095 176.667 176.600 -0.045 0.000 1.022 134 K CA -0.179 56.076 56.287 -0.053 0.000 0.946 134 K CB 1.368 33.821 32.500 -0.079 0.000 1.000 134 K HN 0.448 nan 8.250 nan 0.000 0.468 135 E N 1.245 121.427 120.200 -0.029 0.000 2.460 135 E HA -0.009 4.341 4.350 0.001 0.000 0.200 135 E C -0.258 176.306 176.600 -0.060 0.000 1.011 135 E CA 0.360 56.734 56.400 -0.044 0.000 0.912 135 E CB 0.629 30.318 29.700 -0.019 0.000 0.953 135 E HN 0.418 nan 8.360 nan 0.000 0.494 136 Q N 0.553 120.322 119.800 -0.052 0.000 2.416 136 Q HA 0.462 4.803 4.340 0.001 0.000 0.281 136 Q C -1.051 174.921 176.000 -0.046 0.000 1.067 136 Q CA -0.874 54.898 55.803 -0.052 0.000 0.809 136 Q CB 3.164 31.882 28.738 -0.034 0.000 1.418 136 Q HN 0.003 nan 8.270 nan 0.000 0.411 137 V N -2.072 117.815 119.914 -0.045 0.000 2.769 137 V HA 0.545 4.666 4.120 0.001 0.000 0.312 137 V C -0.412 175.686 176.094 0.007 0.000 1.061 137 V CA -0.922 61.365 62.300 -0.023 0.000 0.931 137 V CB 1.927 33.718 31.823 -0.053 0.000 1.010 137 V HN 0.717 nan 8.190 nan 0.000 0.433 138 E N 2.280 122.502 120.200 0.036 0.000 2.338 138 E HA 0.492 4.843 4.350 0.001 0.000 0.272 138 E C -0.339 176.307 176.600 0.077 0.000 1.029 138 E CA -0.419 56.009 56.400 0.046 0.000 0.872 138 E CB 1.950 31.682 29.700 0.053 0.000 1.015 138 E HN 0.918 nan 8.360 nan 0.000 0.417 139 V N -0.371 119.592 119.914 0.080 0.000 2.628 139 V HA 0.865 4.986 4.120 0.001 0.000 0.306 139 V C 0.179 176.403 176.094 0.216 0.000 1.045 139 V CA -0.625 61.762 62.300 0.145 0.000 0.905 139 V CB 1.677 33.594 31.823 0.158 0.000 0.997 139 V HN 0.664 nan 8.190 nan 0.000 0.436 140 G N 1.217 110.123 108.800 0.176 0.000 2.597 140 G HA2 0.685 4.646 3.960 0.001 0.000 0.317 140 G HA3 0.685 4.646 3.960 0.001 0.000 0.317 140 G C -1.168 173.676 174.900 -0.092 0.000 1.230 140 G CA -0.736 44.410 45.100 0.076 0.000 0.996 140 G HN 1.286 nan 8.290 nan 0.000 0.490 141 V N -0.593 119.083 119.914 -0.397 0.000 2.769 141 V HA 0.754 4.875 4.120 0.001 0.000 0.312 141 V C -0.420 175.441 176.094 -0.389 0.000 1.061 141 V CA -0.621 61.253 62.300 -0.709 0.000 0.931 141 V CB 2.331 33.264 31.823 -1.484 0.000 1.010 141 V HN 0.740 nan 8.190 nan 0.000 0.433 142 S N 6.356 121.877 115.700 -0.298 0.000 2.456 142 S HA 0.727 5.198 4.470 0.001 0.000 0.316 142 S C -1.012 173.511 174.600 -0.128 0.000 1.089 142 S CA -0.409 57.705 58.200 -0.143 0.000 1.101 142 S CB 1.204 64.384 63.200 -0.034 0.000 0.995 142 S HN 0.492 nan 8.310 nan 0.000 0.468 143 L N 2.860 124.042 121.223 -0.069 0.000 2.307 143 L HA 0.616 4.957 4.340 0.001 0.000 0.284 143 L C 1.028 177.916 176.870 0.029 0.000 1.023 143 L CA -0.102 54.731 54.840 -0.011 0.000 0.810 143 L CB 0.993 43.065 42.059 0.021 0.000 1.231 143 L HN 0.769 nan 8.230 nan 0.000 0.423 144 G N 2.596 111.418 108.800 0.036 0.000 2.653 144 G HA2 0.418 4.379 3.960 0.001 0.000 0.265 144 G HA3 0.418 4.379 3.960 0.001 0.000 0.265 144 G C 0.034 174.986 174.900 0.087 0.000 1.237 144 G CA -0.683 44.451 45.100 0.056 0.000 0.946 144 G HN 0.515 nan 8.290 nan 0.000 0.522 145 I N 1.074 121.703 120.570 0.099 0.000 2.598 145 I HA 0.037 4.208 4.170 0.001 0.000 0.284 145 I C 0.499 176.645 176.117 0.050 0.000 1.140 145 I CA 0.122 61.501 61.300 0.132 0.000 1.420 145 I CB 0.753 38.812 38.000 0.099 0.000 1.387 145 I HN 0.278 nan 8.210 nan 0.000 0.553 146 Q N 4.666 124.518 119.800 0.088 0.000 2.194 146 Q HA 0.437 4.777 4.340 0.001 0.000 0.245 146 Q C 0.928 176.829 176.000 -0.165 0.000 0.993 146 Q CA -0.482 55.325 55.803 0.006 0.000 0.930 146 Q CB 1.141 29.928 28.738 0.082 0.000 1.238 146 Q HN 0.745 nan 8.270 nan 0.000 0.486 147 A N 0.575 123.301 122.820 -0.158 0.000 1.933 147 A HA -0.122 4.199 4.320 0.001 0.000 0.218 147 A C 0.189 177.551 177.584 -0.370 0.000 1.175 147 A CA 2.260 54.145 52.037 -0.252 0.000 0.628 147 A CB -0.217 18.699 19.000 -0.140 0.000 0.814 147 A HN 0.815 nan 8.150 nan 0.000 0.444 148 D N -5.425 114.877 120.400 -0.164 0.000 2.779 148 D HA 0.227 4.868 4.640 0.001 0.000 0.331 148 D C 0.302 176.797 176.300 0.325 0.000 1.331 148 D CA 0.014 54.013 54.000 -0.001 0.000 0.866 148 D CB 0.101 40.905 40.800 0.006 0.000 1.409 148 D HN -0.135 nan 8.370 nan 0.000 0.486 149 c N -1.109 117.723 118.600 0.386 0.000 2.466 149 c HA -0.032 4.538 4.570 0.001 0.000 0.278 149 c C 2.241 176.419 174.090 0.147 0.000 1.288 149 c CA 1.250 57.741 56.329 0.270 0.000 1.722 149 c CB -0.862 41.748 42.510 0.167 0.000 2.017 149 c HN 0.640 nan 8.230 nan 0.000 0.488 150 Q N 0.990 120.855 119.800 0.107 0.000 2.230 150 Q HA 0.055 4.396 4.340 0.001 0.000 0.202 150 Q C 2.078 178.118 176.000 0.065 0.000 0.963 150 Q CA 1.839 57.683 55.803 0.069 0.000 0.866 150 Q CB -0.442 28.322 28.738 0.044 0.000 0.931 150 Q HN 0.627 nan 8.270 nan 0.000 0.452 151 A N -0.928 121.934 122.820 0.069 0.000 1.930 151 A HA -0.128 4.192 4.320 0.001 0.000 0.217 151 A C 2.225 179.851 177.584 0.071 0.000 1.175 151 A CA 1.821 53.889 52.037 0.053 0.000 0.627 151 A CB -0.833 18.186 19.000 0.031 0.000 0.815 151 A HN 0.440 nan 8.150 nan 0.000 0.443 152 T N -0.233 114.394 114.554 0.121 0.000 2.708 152 T HA -0.133 4.217 4.350 0.001 0.000 0.266 152 T C 1.881 176.636 174.700 0.090 0.000 1.037 152 T CA 1.735 63.910 62.100 0.125 0.000 1.146 152 T CB -0.457 68.518 68.868 0.178 0.000 0.865 152 T HN 0.150 nan 8.240 nan 0.000 0.435 153 V N 1.699 121.677 119.914 0.107 0.000 2.358 153 V HA -0.170 3.951 4.120 0.001 0.000 0.246 153 V C 2.345 178.526 176.094 0.146 0.000 1.047 153 V CA 2.038 64.432 62.300 0.156 0.000 1.035 153 V CB -0.685 31.220 31.823 0.136 0.000 0.658 153 V HN 0.548 nan 8.190 nan 0.000 0.452 154 D N -0.252 120.197 120.400 0.081 0.000 2.123 154 D HA -0.218 4.423 4.640 0.001 0.000 0.196 154 D C 1.968 178.263 176.300 -0.009 0.000 0.992 154 D CA 1.342 55.369 54.000 0.045 0.000 0.833 154 D CB -0.077 40.735 40.800 0.020 0.000 0.954 154 D HN 0.285 nan 8.370 nan 0.000 0.455 155 L N -0.204 121.001 121.223 -0.030 0.000 2.109 155 L HA -0.018 4.323 4.340 0.001 0.000 0.207 155 L C 2.241 179.020 176.870 -0.152 0.000 1.086 155 L CA 0.979 55.745 54.840 -0.124 0.000 0.760 155 L CB -0.314 41.709 42.059 -0.060 0.000 0.910 155 L HN 0.038 nan 8.230 nan 0.000 0.437 156 V N -0.272 119.606 119.914 -0.060 0.000 2.287 156 V HA -0.328 3.793 4.120 0.001 0.000 0.248 156 V C 2.741 178.672 176.094 -0.271 0.000 1.053 156 V CA 2.112 64.320 62.300 -0.152 0.000 1.027 156 V CB -0.688 31.022 31.823 -0.188 0.000 0.646 156 V HN 0.472 nan 8.190 nan 0.000 0.447 157 R N -0.209 120.244 120.500 -0.078 0.000 2.103 157 R HA -0.219 4.121 4.340 0.001 0.000 0.242 157 R C 2.588 178.872 176.300 -0.028 0.000 1.142 157 R CA 1.995 58.140 56.100 0.076 0.000 0.960 157 R CB -0.329 30.123 30.300 0.254 0.000 0.858 157 R HN 0.432 nan 8.270 nan 0.000 0.439 158 R N -0.518 119.919 120.500 -0.105 0.000 2.083 158 R HA -0.182 4.159 4.340 0.001 0.000 0.237 158 R C 1.779 178.020 176.300 -0.098 0.000 1.137 158 R CA 2.219 58.229 56.100 -0.150 0.000 0.951 158 R CB -0.329 29.788 30.300 -0.305 0.000 0.851 158 R HN 0.505 nan 8.270 nan 0.000 0.434 159 H N -0.810 118.252 119.070 -0.013 0.000 2.428 159 H HA -0.028 4.529 4.556 0.001 0.000 0.296 159 H C 2.125 177.513 175.328 0.100 0.000 1.062 159 H CA 1.044 57.137 56.048 0.075 0.000 1.350 159 H CB 0.299 30.016 29.762 -0.074 0.000 1.403 159 H HN -0.002 nan 8.280 nan 0.000 0.533 160 V N 0.867 120.800 119.914 0.033 0.000 2.343 160 V HA -0.246 3.875 4.120 0.001 0.000 0.247 160 V C 2.338 178.449 176.094 0.028 0.000 1.051 160 V CA 2.068 64.349 62.300 -0.032 0.000 1.036 160 V CB -0.292 31.398 31.823 -0.223 0.000 0.654 160 V HN 0.382 nan 8.190 nan 0.000 0.451 161 E N 0.407 120.628 120.200 0.034 0.000 2.110 161 E HA -0.228 4.122 4.350 0.001 0.000 0.193 161 E C 2.198 178.813 176.600 0.025 0.000 0.988 161 E CA 1.378 57.798 56.400 0.034 0.000 0.804 161 E CB -0.275 29.444 29.700 0.030 0.000 0.745 161 E HN 0.683 nan 8.360 nan 0.000 0.458 162 Q N -1.266 118.566 119.800 0.054 0.000 2.437 162 Q HA 0.053 4.393 4.340 0.001 0.000 0.210 162 Q C 1.030 176.967 176.000 -0.104 0.000 0.972 162 Q CA 0.707 56.515 55.803 0.009 0.000 0.903 162 Q CB 0.259 29.061 28.738 0.108 0.000 0.967 162 Q HN 0.450 nan 8.270 nan 0.000 0.486 163 G N -0.328 108.440 108.800 -0.053 0.000 2.159 163 G HA2 -0.268 3.693 3.960 0.001 0.000 0.227 163 G HA3 -0.268 3.693 3.960 0.001 0.000 0.227 163 G C -0.321 174.509 174.900 -0.116 0.000 0.986 163 G CA -0.498 44.546 45.100 -0.094 0.000 0.651 163 G HN 0.288 nan 8.290 nan 0.000 0.523 164 Y N 0.174 120.461 120.300 -0.021 0.000 2.578 164 Y HA 0.356 4.907 4.550 0.001 0.000 0.339 164 Y C 1.973 177.842 175.900 -0.052 0.000 1.231 164 Y CA 0.662 58.737 58.100 -0.042 0.000 1.461 164 Y CB 0.474 38.893 38.460 -0.069 0.000 1.323 164 Y HN 0.103 nan 8.280 nan 0.000 0.590 165 R N 1.012 121.581 120.500 0.114 0.000 2.362 165 R HA 0.172 4.513 4.340 0.001 0.000 0.227 165 R C 0.127 176.428 176.300 0.002 0.000 0.905 165 R CA -0.017 56.105 56.100 0.038 0.000 1.067 165 R CB 0.554 30.870 30.300 0.026 0.000 1.078 165 R HN 0.368 nan 8.270 nan 0.000 0.516 166 R N 1.199 121.694 120.500 -0.007 0.000 2.584 166 R HA 0.249 4.590 4.340 0.001 0.000 0.276 166 R C -1.709 174.513 176.300 -0.131 0.000 1.046 166 R CA -0.554 55.487 56.100 -0.097 0.000 0.906 166 R CB 1.414 31.622 30.300 -0.153 0.000 1.215 166 R HN -0.084 nan 8.270 nan 0.000 0.449 167 I N 3.920 124.390 120.570 -0.167 0.000 2.339 167 I HA 0.370 4.541 4.170 0.001 0.000 0.290 167 I C 0.234 176.232 176.117 -0.199 0.000 0.994 167 I CA -0.566 60.623 61.300 -0.185 0.000 1.191 167 I CB 1.332 39.229 38.000 -0.172 0.000 1.343 167 I HN 0.447 nan 8.210 nan 0.000 0.458 168 K N 7.674 127.963 120.400 -0.185 0.000 2.265 168 K HA 0.575 4.895 4.320 0.001 0.000 0.267 168 K C -1.381 175.169 176.600 -0.083 0.000 0.994 168 K CA -0.550 55.651 56.287 -0.144 0.000 0.860 168 K CB 1.156 33.591 32.500 -0.108 0.000 1.099 168 K HN 0.548 nan 8.250 nan 0.000 0.448 169 L N 4.168 125.355 121.223 -0.060 0.000 2.272 169 L HA 0.319 4.660 4.340 0.001 0.000 0.289 169 L C -0.035 176.857 176.870 0.037 0.000 1.032 169 L CA -1.048 53.785 54.840 -0.011 0.000 0.810 169 L CB 1.179 43.220 42.059 -0.031 0.000 1.205 169 L HN 0.530 nan 8.230 nan 0.000 0.422 170 K N 5.056 125.501 120.400 0.074 0.000 2.451 170 K HA 0.379 4.699 4.320 0.001 0.000 0.280 170 K C -0.628 176.062 176.600 0.151 0.000 1.020 170 K CA 0.214 56.571 56.287 0.116 0.000 1.008 170 K CB 0.315 32.884 32.500 0.115 0.000 0.917 170 K HN 0.552 nan 8.250 nan 0.000 0.478 171 I N 0.033 120.705 120.570 0.171 0.000 3.042 171 I HA 0.656 4.827 4.170 0.001 0.000 0.310 171 I C -1.089 175.184 176.117 0.260 0.000 1.117 171 I CA -1.110 60.314 61.300 0.207 0.000 1.003 171 I CB 2.346 40.431 38.000 0.142 0.000 1.228 171 I HN 0.717 nan 8.210 nan 0.000 0.443 172 K N 1.390 121.952 120.400 0.270 0.000 2.555 172 K HA 0.636 4.957 4.320 0.001 0.000 0.279 172 K C -3.251 173.407 176.600 0.097 0.000 0.986 172 K CA -1.852 54.514 56.287 0.132 0.000 0.880 172 K CB 1.527 34.079 32.500 0.087 0.000 1.474 172 K HN 0.235 nan 8.250 nan 0.000 0.433 173 P HA -0.025 nan 4.420 nan 0.000 0.262 173 P C 0.599 177.945 177.300 0.077 0.000 1.182 173 P CA 1.881 64.936 63.100 -0.076 0.000 0.761 173 P CB 0.447 32.018 31.700 -0.215 0.000 0.795 174 G N 1.595 110.479 108.800 0.139 0.000 2.253 174 G HA2 -0.220 3.740 3.960 0.001 0.000 0.251 174 G HA3 -0.220 3.740 3.960 0.001 0.000 0.251 174 G C -0.295 174.800 174.900 0.324 0.000 0.998 174 G CA -0.144 45.064 45.100 0.180 0.000 0.621 174 G HN 0.611 nan 8.290 nan 0.000 0.524 175 W N 1.809 123.143 121.300 0.056 0.000 2.258 175 W HA 0.461 5.122 4.660 0.001 0.000 0.287 175 W C -0.122 176.445 176.519 0.078 0.000 1.024 175 W CA 0.322 57.698 57.345 0.051 0.000 1.377 175 W CB 0.598 30.077 29.460 0.032 0.000 1.351 175 W HN 0.317 nan 8.180 nan 0.000 0.334 176 D N -0.362 119.930 120.400 -0.180 0.000 2.900 176 D HA -0.016 4.625 4.640 0.001 0.000 0.175 176 D C 1.505 177.653 176.300 -0.254 0.000 1.476 176 D CA 0.299 54.209 54.000 -0.150 0.000 1.488 176 D CB 0.203 41.045 40.800 0.071 0.000 1.426 176 D HN -0.065 nan 8.370 nan 0.000 0.295 177 V N 0.951 120.767 119.914 -0.164 0.000 2.490 177 V HA -0.232 3.888 4.120 0.001 0.000 0.250 177 V C 2.292 178.205 176.094 -0.301 0.000 1.061 177 V CA 2.170 64.380 62.300 -0.151 0.000 1.064 177 V CB -0.857 30.949 31.823 -0.028 0.000 0.670 177 V HN 0.139 nan 8.190 nan 0.000 0.461 178 Q N 0.406 119.962 119.800 -0.406 0.000 2.016 178 Q HA -0.101 4.239 4.340 0.001 0.000 0.200 178 Q C 0.074 175.700 176.000 -0.624 0.000 0.978 178 Q CA 2.048 57.553 55.803 -0.496 0.000 0.833 178 Q CB -1.737 26.690 28.738 -0.518 0.000 0.895 178 Q HN 0.536 nan 8.270 nan 0.000 0.427 179 P HA -0.110 nan 4.420 nan 0.000 0.217 179 P C 1.264 178.344 177.300 -0.366 0.000 1.150 179 P CA 1.097 63.837 63.100 -0.600 0.000 0.832 179 P CB 0.039 31.338 31.700 -0.668 0.000 0.787 180 V N 0.926 120.604 119.914 -0.392 0.000 2.295 180 V HA -0.213 3.908 4.120 0.001 0.000 0.246 180 V C 3.032 178.802 176.094 -0.540 0.000 1.049 180 V CA 2.039 64.128 62.300 -0.352 0.000 1.024 180 V CB -1.136 30.515 31.823 -0.287 0.000 0.648 180 V HN 0.072 nan 8.190 nan 0.000 0.447 181 R N -0.595 119.459 120.500 -0.743 0.000 2.083 181 R HA -0.203 4.138 4.340 0.001 0.000 0.237 181 R C 2.354 178.400 176.300 -0.423 0.000 1.137 181 R CA 2.382 57.935 56.100 -0.912 0.000 0.951 181 R CB -0.691 29.241 30.300 -0.614 0.000 0.851 181 R HN 0.544 nan 8.270 nan 0.000 0.434 182 c N -0.077 118.355 118.600 -0.280 0.000 2.413 182 c HA -0.072 4.499 4.570 0.001 0.000 0.276 182 c C 2.686 176.728 174.090 -0.079 0.000 1.248 182 c CA 1.379 57.624 56.329 -0.139 0.000 1.742 182 c CB -0.904 41.552 42.510 -0.090 0.000 2.017 182 c HN 0.618 nan 8.230 nan 0.000 0.481 183 T N 0.311 114.821 114.554 -0.073 0.000 2.777 183 T HA -0.173 4.178 4.350 0.001 0.000 0.266 183 T C 2.016 176.776 174.700 0.099 0.000 1.040 183 T CA 1.572 63.710 62.100 0.064 0.000 1.141 183 T CB -0.287 68.588 68.868 0.011 0.000 0.868 183 T HN 0.386 nan 8.240 nan 0.000 0.444 184 R N 1.439 121.921 120.500 -0.031 0.000 2.115 184 R HA 0.028 4.369 4.340 0.001 0.000 0.226 184 R C 2.122 178.433 176.300 0.019 0.000 1.100 184 R CA 1.372 57.485 56.100 0.022 0.000 0.980 184 R CB -0.436 29.877 30.300 0.022 0.000 0.875 184 R HN 0.497 nan 8.270 nan 0.000 0.445 185 E N -0.518 119.661 120.200 -0.036 0.000 2.077 185 E HA -0.155 4.195 4.350 0.001 0.000 0.193 185 E C 1.793 178.323 176.600 -0.117 0.000 0.989 185 E CA 1.400 57.771 56.400 -0.049 0.000 0.800 185 E CB -0.163 29.503 29.700 -0.058 0.000 0.746 185 E HN 0.454 nan 8.360 nan 0.000 0.452 186 A N 0.404 123.116 122.820 -0.180 0.000 1.970 186 A HA -0.010 4.310 4.320 0.001 0.000 0.216 186 A C 0.657 177.753 177.584 -0.814 0.000 1.170 186 A CA 0.663 52.407 52.037 -0.488 0.000 0.645 186 A CB 0.066 18.748 19.000 -0.529 0.000 0.816 186 A HN 0.155 nan 8.150 nan 0.000 0.447 187 F N -1.131 118.807 119.950 -0.020 0.000 2.660 187 F HA 0.356 4.884 4.527 0.001 0.000 0.352 187 F C -2.130 173.664 175.800 -0.010 0.000 1.257 187 F CA -1.840 56.151 58.000 -0.014 0.000 1.200 187 F CB 1.541 40.531 39.000 -0.017 0.000 1.473 187 F HN 0.006 nan 8.300 nan 0.000 0.561 188 P HA -0.098 nan 4.420 nan 0.000 0.222 188 P C 0.602 177.943 177.300 0.068 0.000 1.147 188 P CA 1.411 64.547 63.100 0.061 0.000 0.790 188 P CB 0.369 32.084 31.700 0.025 0.000 0.780 189 D N -1.108 119.343 120.400 0.084 0.000 2.449 189 D HA 0.096 4.736 4.640 0.001 0.000 0.210 189 D C 1.217 177.549 176.300 0.054 0.000 1.094 189 D CA -0.078 53.959 54.000 0.060 0.000 0.846 189 D CB 0.255 41.085 40.800 0.050 0.000 1.003 189 D HN 0.264 nan 8.370 nan 0.000 0.504 190 I N -0.509 120.107 120.570 0.078 0.000 2.993 190 I HA 0.076 4.247 4.170 0.001 0.000 0.286 190 I C 0.559 176.666 176.117 -0.016 0.000 1.215 190 I CA -0.463 60.851 61.300 0.023 0.000 1.393 190 I CB 0.777 38.765 38.000 -0.019 0.000 1.371 190 I HN -0.324 nan 8.210 nan 0.000 0.602 191 R N 4.709 125.180 120.500 -0.048 0.000 2.242 191 R HA 0.413 4.753 4.340 0.001 0.000 0.334 191 R C -1.389 174.829 176.300 -0.136 0.000 1.071 191 R CA -0.577 55.472 56.100 -0.085 0.000 0.922 191 R CB 0.541 30.791 30.300 -0.084 0.000 1.023 191 R HN 0.688 nan 8.270 nan 0.000 0.458 192 L N 4.638 125.771 121.223 -0.150 0.000 2.341 192 L HA 0.504 4.845 4.340 0.001 0.000 0.278 192 L C -0.636 176.066 176.870 -0.281 0.000 1.005 192 L CA -0.009 54.725 54.840 -0.178 0.000 0.818 192 L CB 2.063 44.059 42.059 -0.105 0.000 1.259 192 L HN 0.835 nan 8.230 nan 0.000 0.418 193 T N 1.892 116.237 114.554 -0.348 0.000 2.887 193 T HA 0.855 5.205 4.350 0.001 0.000 0.292 193 T C -0.556 173.994 174.700 -0.249 0.000 1.087 193 T CA -0.301 61.507 62.100 -0.488 0.000 1.009 193 T CB 1.600 69.896 68.868 -0.955 0.000 1.203 193 T HN 0.850 nan 8.240 nan 0.000 0.518 194 V N -1.379 118.443 119.914 -0.154 0.000 2.962 194 V HA 0.778 4.899 4.120 0.001 0.000 0.313 194 V C -1.542 174.612 176.094 0.099 0.000 1.099 194 V CA -0.923 61.365 62.300 -0.021 0.000 0.971 194 V CB 1.952 33.766 31.823 -0.015 0.000 1.028 194 V HN 1.010 nan 8.190 nan 0.000 0.430 195 D N 2.650 123.126 120.400 0.126 0.000 2.427 195 D HA 0.692 5.333 4.640 0.001 0.000 0.226 195 D C 0.625 177.044 176.300 0.198 0.000 1.076 195 D CA 0.176 54.290 54.000 0.190 0.000 0.849 195 D CB 1.773 42.684 40.800 0.186 0.000 1.052 195 D HN 0.903 nan 8.370 nan 0.000 0.515 196 A N 4.114 127.070 122.820 0.228 0.000 2.178 196 A HA 0.050 4.370 4.320 0.001 0.000 0.211 196 A C 1.151 178.930 177.584 0.326 0.000 1.157 196 A CA 0.240 52.463 52.037 0.310 0.000 0.780 196 A CB -0.558 18.586 19.000 0.241 0.000 0.828 196 A HN 0.861 nan 8.150 nan 0.000 0.476 197 N N -0.204 118.647 118.700 0.252 0.000 2.727 197 N HA -0.227 4.514 4.740 0.001 0.000 0.249 197 N C -0.113 175.519 175.510 0.203 0.000 1.048 197 N CA 0.531 53.707 53.050 0.209 0.000 0.714 197 N CB -1.122 37.467 38.487 0.170 0.000 0.959 197 N HN 0.341 nan 8.380 nan 0.000 0.544 198 S N -2.703 113.145 115.700 0.247 0.000 3.477 198 S HA -0.251 4.220 4.470 0.001 0.000 0.357 198 S C 0.926 175.628 174.600 0.171 0.000 1.083 198 S CA 0.920 59.262 58.200 0.236 0.000 1.042 198 S CB -1.389 61.956 63.200 0.242 0.000 0.911 198 S HN 0.824 nan 8.310 nan 0.000 0.490 199 A N -1.409 121.502 122.820 0.152 0.000 2.308 199 A HA 0.522 4.843 4.320 0.001 0.000 0.217 199 A C 0.252 177.706 177.584 -0.217 0.000 1.216 199 A CA 0.235 52.236 52.037 -0.060 0.000 0.864 199 A CB 0.211 19.110 19.000 -0.169 0.000 0.902 199 A HN 0.537 nan 8.150 nan 0.000 0.499 200 Y N -0.715 119.615 120.300 0.049 0.000 2.621 200 Y HA 0.582 5.132 4.550 0.001 0.000 0.334 200 Y C 0.887 176.786 175.900 -0.002 0.000 1.074 200 Y CA -0.043 58.072 58.100 0.025 0.000 1.149 200 Y CB 1.668 40.141 38.460 0.023 0.000 1.302 200 Y HN 0.124 nan 8.280 nan 0.000 0.501 201 T N -2.790 111.867 114.554 0.171 0.000 2.864 201 T HA 0.384 4.735 4.350 0.001 0.000 0.289 201 T C 0.375 175.104 174.700 0.049 0.000 1.082 201 T CA -0.847 61.293 62.100 0.067 0.000 1.009 201 T CB 0.748 69.640 68.868 0.040 0.000 1.234 201 T HN 0.582 nan 8.240 nan 0.000 0.526 202 L N 0.682 121.908 121.223 0.004 0.000 2.191 202 L HA 0.054 4.395 4.340 0.001 0.000 0.212 202 L C 3.037 179.914 176.870 0.013 0.000 1.103 202 L CA 1.398 56.234 54.840 -0.007 0.000 0.769 202 L CB -0.750 41.296 42.059 -0.022 0.000 0.908 202 L HN 0.946 nan 8.230 nan 0.000 0.438 203 A N -0.759 122.076 122.820 0.025 0.000 2.178 203 A HA -0.180 4.140 4.320 0.001 0.000 0.218 203 A C 1.588 179.202 177.584 0.050 0.000 1.157 203 A CA 1.440 53.495 52.037 0.031 0.000 0.689 203 A CB -0.326 18.693 19.000 0.030 0.000 0.787 203 A HN 0.362 nan 8.150 nan 0.000 0.465 204 D N -0.422 120.023 120.400 0.076 0.000 2.339 204 D HA 0.265 4.906 4.640 0.001 0.000 0.217 204 D C 1.923 178.248 176.300 0.043 0.000 1.050 204 D CA 0.758 54.824 54.000 0.111 0.000 0.856 204 D CB 0.101 41.067 40.800 0.277 0.000 0.922 204 D HN 0.414 nan 8.370 nan 0.000 0.518 205 A N 1.163 123.991 122.820 0.014 0.000 1.927 205 A HA -0.162 4.159 4.320 0.001 0.000 0.220 205 A C 2.343 179.921 177.584 -0.011 0.000 1.185 205 A CA 2.168 54.197 52.037 -0.013 0.000 0.639 205 A CB -1.067 17.926 19.000 -0.012 0.000 0.820 205 A HN 0.320 nan 8.150 nan 0.000 0.451 206 G N -0.834 107.969 108.800 0.004 0.000 2.418 206 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 206 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 206 G C 1.696 176.600 174.900 0.007 0.000 1.158 206 G CA 1.291 46.393 45.100 0.005 0.000 0.771 206 G HN 0.536 nan 8.290 nan 0.000 0.545 207 R N 0.473 120.987 120.500 0.022 0.000 2.066 207 R HA 0.115 4.456 4.340 0.001 0.000 0.232 207 R C 2.542 178.837 176.300 -0.009 0.000 1.131 207 R CA 1.156 57.274 56.100 0.031 0.000 0.955 207 R CB -0.886 29.465 30.300 0.084 0.000 0.851 207 R HN 0.388 nan 8.270 nan 0.000 0.432 208 L N 0.095 121.283 121.223 -0.059 0.000 2.141 208 L HA -0.041 4.300 4.340 0.001 0.000 0.209 208 L C 2.688 179.521 176.870 -0.060 0.000 1.094 208 L CA 1.576 56.347 54.840 -0.115 0.000 0.763 208 L CB -0.457 41.483 42.059 -0.198 0.000 0.908 208 L HN 0.227 nan 8.230 nan 0.000 0.437 209 R N 0.409 120.885 120.500 -0.040 0.000 2.152 209 R HA -0.181 4.159 4.340 0.001 0.000 0.232 209 R C 2.113 178.394 176.300 -0.031 0.000 1.117 209 R CA 1.168 57.248 56.100 -0.033 0.000 0.981 209 R CB -0.080 30.204 30.300 -0.027 0.000 0.870 209 R HN 0.440 nan 8.270 nan 0.000 0.451 210 Q N 0.177 119.968 119.800 -0.015 0.000 2.364 210 Q HA -0.102 4.238 4.340 0.001 0.000 0.209 210 Q C 1.816 177.840 176.000 0.039 0.000 0.977 210 Q CA 0.938 56.742 55.803 0.002 0.000 0.885 210 Q CB 0.050 28.808 28.738 0.032 0.000 0.941 210 Q HN 0.433 nan 8.270 nan 0.000 0.464 211 L N 0.164 121.411 121.223 0.039 0.000 2.313 211 L HA -0.135 4.206 4.340 0.001 0.000 0.214 211 L C 1.357 178.248 176.870 0.036 0.000 1.119 211 L CA 0.347 55.251 54.840 0.106 0.000 0.809 211 L CB -0.217 41.862 42.059 0.034 0.000 0.933 211 L HN 0.128 nan 8.230 nan 0.000 0.449 212 D N 0.889 121.259 120.400 -0.050 0.000 2.149 212 D HA -0.236 4.405 4.640 0.001 0.000 0.198 212 D C 1.926 178.134 176.300 -0.154 0.000 0.990 212 D CA 1.553 55.506 54.000 -0.079 0.000 0.839 212 D CB -0.057 40.699 40.800 -0.073 0.000 0.948 212 D HN 0.578 nan 8.370 nan 0.000 0.460 213 E N -0.511 119.499 120.200 -0.317 0.000 2.478 213 E HA -0.163 4.188 4.350 0.001 0.000 0.198 213 E C 0.827 177.098 176.600 -0.550 0.000 1.046 213 E CA 0.638 56.760 56.400 -0.463 0.000 0.870 213 E CB -0.386 28.953 29.700 -0.601 0.000 0.818 213 E HN 0.440 nan 8.360 nan 0.000 0.527 214 Y N 1.151 121.428 120.300 -0.040 0.000 2.485 214 Y HA 0.125 4.676 4.550 0.001 0.000 0.260 214 Y C -0.187 175.686 175.900 -0.044 0.000 1.173 214 Y CA -0.405 57.670 58.100 -0.042 0.000 1.252 214 Y CB 0.407 38.836 38.460 -0.052 0.000 1.123 214 Y HN -0.087 nan 8.280 nan 0.000 0.524 215 D N 0.989 121.405 120.400 0.028 0.000 2.697 215 D HA -0.203 4.438 4.640 0.001 0.000 0.238 215 D C -0.441 175.857 176.300 -0.004 0.000 1.152 215 D CA 0.629 54.632 54.000 0.005 0.000 0.666 215 D CB -1.291 39.510 40.800 0.002 0.000 1.037 215 D HN 0.378 nan 8.370 nan 0.000 0.423 216 L N 0.146 121.362 121.223 -0.012 0.000 2.456 216 L HA 0.039 4.380 4.340 0.001 0.000 0.272 216 L C 2.187 178.999 176.870 -0.096 0.000 1.189 216 L CA -0.010 54.784 54.840 -0.076 0.000 0.846 216 L CB 0.389 42.401 42.059 -0.078 0.000 1.111 216 L HN -0.040 nan 8.230 nan 0.000 0.475 217 T N 0.989 115.426 114.554 -0.195 0.000 2.867 217 T HA -0.054 4.297 4.350 0.001 0.000 0.268 217 T C -0.426 174.264 174.700 -0.017 0.000 1.057 217 T CA 1.336 63.351 62.100 -0.142 0.000 1.136 217 T CB -0.174 68.555 68.868 -0.232 0.000 0.874 217 T HN 0.622 nan 8.240 nan 0.000 0.466 218 Y N -2.054 118.235 120.300 -0.017 0.000 2.732 218 Y HA 0.586 5.137 4.550 0.001 0.000 0.342 218 Y C -2.010 173.900 175.900 0.017 0.000 1.203 218 Y CA -2.275 55.832 58.100 0.012 0.000 1.092 218 Y CB 0.403 38.892 38.460 0.048 0.000 1.345 218 Y HN -0.137 nan 8.280 nan 0.000 0.458 219 I N 2.201 122.934 120.570 0.270 0.000 2.362 219 I HA 0.310 4.481 4.170 0.001 0.000 0.289 219 I C -0.372 175.920 176.117 0.291 0.000 0.994 219 I CA -0.665 60.757 61.300 0.203 0.000 1.158 219 I CB 1.763 39.810 38.000 0.079 0.000 1.315 219 I HN 0.661 nan 8.210 nan 0.000 0.451 220 E N 5.750 126.145 120.200 0.325 0.000 2.229 220 E HA 0.084 4.435 4.350 0.001 0.000 0.283 220 E C -0.225 176.511 176.600 0.227 0.000 1.030 220 E CA -0.604 55.972 56.400 0.294 0.000 0.836 220 E CB 0.720 30.646 29.700 0.377 0.000 1.068 220 E HN 0.466 nan 8.360 nan 0.000 0.401 221 Q N 3.898 123.799 119.800 0.168 0.000 2.417 221 Q HA -0.175 4.166 4.340 0.001 0.000 0.368 221 Q C -1.944 174.272 176.000 0.360 0.000 1.359 221 Q CA 0.500 56.422 55.803 0.198 0.000 1.122 221 Q CB -0.056 28.755 28.738 0.121 0.000 1.295 221 Q HN 0.466 nan 8.270 nan 0.000 0.337 222 P HA -0.113 nan 4.420 nan 0.000 0.222 222 P C 0.238 177.692 177.300 0.257 0.000 1.153 222 P CA 1.040 64.311 63.100 0.285 0.000 0.798 222 P CB 0.334 32.084 31.700 0.084 0.000 0.796 223 L N -1.188 120.109 121.223 0.123 0.000 2.693 223 L HA 0.604 4.945 4.340 0.001 0.000 0.253 223 L C 0.926 177.907 176.870 0.185 0.000 1.155 223 L CA -1.546 53.256 54.840 -0.063 0.000 1.026 223 L CB -0.439 41.269 42.059 -0.585 0.000 1.817 223 L HN -0.234 nan 8.230 nan 0.000 0.556 224 A N 0.189 123.068 122.820 0.099 0.000 2.507 224 A HA -0.043 4.277 4.320 0.001 0.000 0.235 224 A C 0.799 178.462 177.584 0.131 0.000 1.070 224 A CA -0.043 52.051 52.037 0.094 0.000 0.768 224 A CB -0.154 18.811 19.000 -0.059 0.000 1.011 224 A HN 0.872 nan 8.150 nan 0.000 0.502 225 W N 1.565 122.899 121.300 0.057 0.000 2.425 225 W HA -0.076 4.585 4.660 0.001 0.000 0.277 225 W C -0.144 176.355 176.519 -0.034 0.000 1.231 225 W CA 1.245 58.588 57.345 -0.003 0.000 1.248 225 W CB -0.488 28.931 29.460 -0.068 0.000 1.117 225 W HN 0.731 nan 8.180 nan 0.000 0.568 226 D N 0.283 120.167 120.400 -0.861 0.000 2.424 226 D HA 0.063 4.703 4.640 0.001 0.000 0.220 226 D C -0.783 175.278 176.300 -0.398 0.000 1.150 226 D CA -0.306 53.206 54.000 -0.812 0.000 0.831 226 D CB -0.618 39.291 40.800 -1.484 0.000 0.981 226 D HN 0.120 nan 8.370 nan 0.000 0.500 227 D N -0.203 120.075 120.400 -0.203 0.000 2.193 227 D HA 0.359 5.000 4.640 0.001 0.000 0.249 227 D C 0.713 177.023 176.300 0.017 0.000 1.034 227 D CA -0.629 53.338 54.000 -0.055 0.000 0.902 227 D CB 1.548 42.379 40.800 0.052 0.000 1.182 227 D HN -0.057 nan 8.370 nan 0.000 0.436 228 L N 2.604 123.827 121.223 -0.001 0.000 2.730 228 L HA 0.129 4.470 4.340 0.001 0.000 0.236 228 L C 1.881 178.776 176.870 0.040 0.000 1.061 228 L CA -0.166 54.676 54.840 0.004 0.000 0.898 228 L CB 0.103 42.130 42.059 -0.053 0.000 1.270 228 L HN 0.364 nan 8.230 nan 0.000 0.500 229 V N 0.479 120.400 119.914 0.012 0.000 2.307 229 V HA -0.242 3.879 4.120 0.001 0.000 0.245 229 V C 1.966 178.063 176.094 0.005 0.000 1.045 229 V CA 2.072 64.373 62.300 0.001 0.000 1.024 229 V CB -0.325 31.488 31.823 -0.018 0.000 0.651 229 V HN 0.389 nan 8.190 nan 0.000 0.449 230 D N -1.347 119.049 120.400 -0.007 0.000 2.178 230 D HA -0.134 4.507 4.640 0.001 0.000 0.202 230 D C 2.096 178.358 176.300 -0.064 0.000 0.974 230 D CA 1.065 55.035 54.000 -0.049 0.000 0.841 230 D CB -0.358 40.388 40.800 -0.090 0.000 0.953 230 D HN 0.516 nan 8.370 nan 0.000 0.478 231 H N 0.529 119.584 119.070 -0.026 0.000 2.387 231 H HA -0.020 4.537 4.556 0.001 0.000 0.299 231 H C 2.036 177.350 175.328 -0.024 0.000 1.090 231 H CA 1.321 57.357 56.048 -0.020 0.000 1.332 231 H CB 0.080 29.828 29.762 -0.024 0.000 1.386 231 H HN 0.103 nan 8.280 nan 0.000 0.516 232 A N 1.068 123.937 122.820 0.082 0.000 1.933 232 A HA -0.200 4.121 4.320 0.001 0.000 0.218 232 A C 2.359 179.951 177.584 0.012 0.000 1.175 232 A CA 1.823 53.879 52.037 0.031 0.000 0.628 232 A CB -0.265 18.742 19.000 0.011 0.000 0.814 232 A HN 0.324 nan 8.150 nan 0.000 0.444 233 E N -0.105 120.095 120.200 0.000 0.000 2.051 233 E HA -0.168 4.183 4.350 0.001 0.000 0.192 233 E C 1.795 178.387 176.600 -0.014 0.000 0.991 233 E CA 1.360 57.754 56.400 -0.010 0.000 0.799 233 E CB -0.466 29.222 29.700 -0.019 0.000 0.748 233 E HN 0.430 nan 8.360 nan 0.000 0.449 234 L N 0.214 121.423 121.223 -0.025 0.000 2.083 234 L HA -0.010 4.331 4.340 0.001 0.000 0.209 234 L C 2.151 179.017 176.870 -0.006 0.000 1.083 234 L CA 2.192 57.015 54.840 -0.029 0.000 0.752 234 L CB -0.830 41.190 42.059 -0.064 0.000 0.899 234 L HN 0.179 nan 8.230 nan 0.000 0.433 235 A N -0.625 122.203 122.820 0.013 0.000 2.067 235 A HA -0.170 4.151 4.320 0.001 0.000 0.219 235 A C 2.371 179.959 177.584 0.006 0.000 1.158 235 A CA 1.436 53.483 52.037 0.017 0.000 0.661 235 A CB -0.542 18.473 19.000 0.026 0.000 0.801 235 A HN 0.522 nan 8.150 nan 0.000 0.452 236 R N -0.800 119.701 120.500 0.002 0.000 2.148 236 R HA 0.018 4.359 4.340 0.001 0.000 0.223 236 R C 1.904 178.201 176.300 -0.005 0.000 1.088 236 R CA 0.913 57.012 56.100 -0.001 0.000 0.985 236 R CB -0.061 30.238 30.300 -0.002 0.000 0.880 236 R HN 0.405 nan 8.270 nan 0.000 0.451 237 R N 0.442 120.937 120.500 -0.008 0.000 2.223 237 R HA 0.174 4.515 4.340 0.001 0.000 0.198 237 R C 1.173 177.465 176.300 -0.014 0.000 0.984 237 R CA 0.450 56.544 56.100 -0.011 0.000 1.018 237 R CB 0.155 30.446 30.300 -0.014 0.000 0.945 237 R HN 0.265 nan 8.270 nan 0.000 0.479 238 I N -2.750 117.812 120.570 -0.013 0.000 2.892 238 I HA 0.386 4.557 4.170 0.001 0.000 0.306 238 I C 0.490 176.601 176.117 -0.010 0.000 1.078 238 I CA -1.082 60.208 61.300 -0.016 0.000 1.032 238 I CB 2.471 40.457 38.000 -0.023 0.000 1.229 238 I HN -0.256 nan 8.210 nan 0.000 0.435 239 R N 0.856 121.348 120.500 -0.013 0.000 2.265 239 R HA 0.173 4.514 4.340 0.001 0.000 0.194 239 R C 0.114 176.414 176.300 0.000 0.000 0.931 239 R CA 0.157 56.252 56.100 -0.008 0.000 1.032 239 R CB -0.002 30.288 30.300 -0.016 0.000 0.980 239 R HN 0.670 nan 8.270 nan 0.000 0.497 240 T N 4.130 118.683 114.554 -0.001 0.000 2.867 240 T HA 0.088 4.439 4.350 0.001 0.000 0.297 240 T C -2.346 172.376 174.700 0.038 0.000 0.989 240 T CA -0.883 61.225 62.100 0.013 0.000 1.159 240 T CB 0.868 69.739 68.868 0.005 0.000 0.928 240 T HN -0.060 nan 8.240 nan 0.000 0.538 241 P HA 0.122 nan 4.420 nan 0.000 0.266 241 P C -0.399 176.974 177.300 0.122 0.000 1.195 241 P CA -0.121 63.030 63.100 0.086 0.000 0.768 241 P CB 0.388 32.155 31.700 0.111 0.000 0.838 242 L N 2.771 124.051 121.223 0.094 0.000 2.312 242 L HA 0.377 4.718 4.340 0.001 0.000 0.281 242 L C 0.424 177.331 176.870 0.062 0.000 1.070 242 L CA -0.608 54.295 54.840 0.106 0.000 0.805 242 L CB 1.231 43.355 42.059 0.107 0.000 1.174 242 L HN 0.436 nan 8.230 nan 0.000 0.434 243 C N 5.440 124.779 119.300 0.065 0.000 2.303 243 C HA 0.509 4.970 4.460 0.001 0.000 0.326 243 C C 0.051 174.992 174.990 -0.082 0.000 1.285 243 C CA -0.814 58.164 59.018 -0.066 0.000 1.675 243 C CB 0.103 27.698 27.740 -0.242 0.000 2.289 243 C HN 0.549 nan 8.230 nan 0.000 0.512 244 L N 5.879 127.009 121.223 -0.155 0.000 2.350 244 L HA 0.393 4.734 4.340 0.001 0.000 0.275 244 L C 0.647 177.422 176.870 -0.159 0.000 1.099 244 L CA 0.747 55.472 54.840 -0.192 0.000 0.808 244 L CB 1.019 42.948 42.059 -0.216 0.000 1.149 244 L HN 0.834 nan 8.230 nan 0.000 0.442 245 D N 1.049 121.387 120.400 -0.102 0.000 3.051 245 D HA -0.003 4.638 4.640 0.001 0.000 0.216 245 D C 1.267 177.563 176.300 -0.007 0.000 1.454 245 D CA 0.302 54.274 54.000 -0.047 0.000 1.400 245 D CB 0.403 41.235 40.800 0.054 0.000 0.975 245 D HN 0.456 nan 8.370 nan 0.000 0.212 246 E N 0.137 120.358 120.200 0.035 0.000 2.204 246 E HA -0.074 4.277 4.350 0.001 0.000 0.195 246 E C 1.785 178.428 176.600 0.072 0.000 0.990 246 E CA 1.350 57.773 56.400 0.039 0.000 0.821 246 E CB -0.092 29.645 29.700 0.062 0.000 0.750 246 E HN 0.282 nan 8.360 nan 0.000 0.477 247 S N -0.633 115.067 115.700 -0.001 0.000 2.603 247 S HA 0.070 4.541 4.470 0.001 0.000 0.220 247 S C 0.604 175.164 174.600 -0.065 0.000 0.967 247 S CA -0.288 57.879 58.200 -0.055 0.000 0.920 247 S CB 0.306 63.432 63.200 -0.124 0.000 0.773 247 S HN -0.060 nan 8.310 nan 0.000 0.529 248 V N 2.013 121.892 119.914 -0.058 0.000 2.275 248 V HA 0.700 4.821 4.120 0.001 0.000 0.272 248 V C 0.562 176.638 176.094 -0.029 0.000 1.028 248 V CA -0.040 62.222 62.300 -0.063 0.000 0.810 248 V CB 0.371 32.133 31.823 -0.102 0.000 1.043 248 V HN 0.464 nan 8.190 nan 0.000 0.453 249 A N 3.688 126.502 122.820 -0.010 0.000 2.538 249 A HA 0.701 5.022 4.320 0.001 0.000 0.269 249 A C 0.575 178.165 177.584 0.010 0.000 1.231 249 A CA 0.471 52.516 52.037 0.013 0.000 0.948 249 A CB 0.239 19.262 19.000 0.039 0.000 1.110 249 A HN 0.961 nan 8.150 nan 0.000 0.529 250 S N -3.268 112.431 115.700 -0.002 0.000 2.611 250 S HA 0.570 5.040 4.470 0.001 0.000 0.270 250 S C 0.697 175.297 174.600 0.001 0.000 1.131 250 S CA 0.098 58.301 58.200 0.006 0.000 0.826 250 S CB 0.743 63.950 63.200 0.011 0.000 1.095 250 S HN 1.123 nan 8.310 nan 0.000 0.461 251 A N 1.631 124.460 122.820 0.015 0.000 1.972 251 A HA 0.039 4.360 4.320 0.001 0.000 0.219 251 A C 2.307 179.904 177.584 0.022 0.000 1.169 251 A CA 2.268 54.318 52.037 0.023 0.000 0.635 251 A CB -1.462 17.562 19.000 0.041 0.000 0.810 251 A HN 1.699 nan 8.150 nan 0.000 0.446 252 S N 0.065 115.777 115.700 0.019 0.000 2.387 252 S HA -0.151 4.320 4.470 0.001 0.000 0.226 252 S C 1.397 175.995 174.600 -0.004 0.000 1.026 252 S CA 1.256 59.466 58.200 0.018 0.000 0.972 252 S CB -0.469 62.741 63.200 0.017 0.000 0.814 252 S HN 0.464 nan 8.310 nan 0.000 0.477 253 D N 2.660 123.050 120.400 -0.016 0.000 2.123 253 D HA 0.003 4.643 4.640 0.001 0.000 0.196 253 D C 2.266 178.526 176.300 -0.067 0.000 0.992 253 D CA 1.588 55.563 54.000 -0.041 0.000 0.833 253 D CB -0.714 40.061 40.800 -0.041 0.000 0.954 253 D HN 0.561 nan 8.370 nan 0.000 0.455 254 A N 0.986 123.769 122.820 -0.062 0.000 1.873 254 A HA -0.177 4.144 4.320 0.001 0.000 0.215 254 A C 2.178 179.678 177.584 -0.140 0.000 1.186 254 A CA 1.391 53.367 52.037 -0.102 0.000 0.616 254 A CB -0.398 18.559 19.000 -0.072 0.000 0.823 254 A HN 0.041 nan 8.150 nan 0.000 0.442 255 R N 0.478 120.955 120.500 -0.040 0.000 2.083 255 R HA -0.163 4.178 4.340 0.001 0.000 0.237 255 R C 1.906 178.165 176.300 -0.067 0.000 1.137 255 R CA 2.224 58.342 56.100 0.030 0.000 0.951 255 R CB -0.496 29.890 30.300 0.143 0.000 0.851 255 R HN 0.586 nan 8.270 nan 0.000 0.434 256 K N -0.024 120.346 120.400 -0.051 0.000 2.057 256 K HA -0.074 4.247 4.320 0.001 0.000 0.207 256 K C 2.215 178.745 176.600 -0.115 0.000 1.049 256 K CA 1.495 57.748 56.287 -0.057 0.000 0.931 256 K CB -0.248 32.229 32.500 -0.039 0.000 0.714 256 K HN 0.247 nan 8.250 nan 0.000 0.440 257 A N 1.566 124.294 122.820 -0.154 0.000 1.873 257 A HA -0.194 4.127 4.320 0.001 0.000 0.218 257 A C 2.165 179.595 177.584 -0.258 0.000 1.193 257 A CA 1.561 53.489 52.037 -0.182 0.000 0.629 257 A CB -0.823 18.064 19.000 -0.188 0.000 0.826 257 A HN 0.173 nan 8.150 nan 0.000 0.447 258 L N -1.058 119.890 121.223 -0.458 0.000 2.056 258 L HA -0.133 4.207 4.340 0.001 0.000 0.207 258 L C 3.093 179.630 176.870 -0.554 0.000 1.078 258 L CA 1.009 55.422 54.840 -0.712 0.000 0.749 258 L CB -0.600 40.567 42.059 -1.488 0.000 0.901 258 L HN 0.434 nan 8.230 nan 0.000 0.433 259 A N 0.053 122.619 122.820 -0.423 0.000 1.933 259 A HA -0.129 4.192 4.320 0.001 0.000 0.218 259 A C 2.206 179.781 177.584 -0.016 0.000 1.175 259 A CA 1.307 53.343 52.037 -0.003 0.000 0.628 259 A CB -0.646 18.440 19.000 0.144 0.000 0.814 259 A HN 0.377 nan 8.150 nan 0.000 0.444 260 L N -1.091 120.094 121.223 -0.063 0.000 2.465 260 L HA 0.075 4.416 4.340 0.001 0.000 0.224 260 L C 1.664 178.513 176.870 -0.035 0.000 1.145 260 L CA 0.557 55.376 54.840 -0.036 0.000 0.834 260 L CB -0.439 41.597 42.059 -0.039 0.000 0.944 260 L HN 0.611 nan 8.230 nan 0.000 0.451 261 G N -0.214 108.548 108.800 -0.063 0.000 2.221 261 G HA2 -0.335 3.625 3.960 0.001 0.000 0.265 261 G HA3 -0.335 3.625 3.960 0.001 0.000 0.265 261 G C 0.979 175.858 174.900 -0.036 0.000 1.041 261 G CA 0.427 45.498 45.100 -0.047 0.000 0.807 261 G HN 0.454 nan 8.290 nan 0.000 0.502 262 A N -1.094 121.693 122.820 -0.055 0.000 2.015 262 A HA 0.552 4.873 4.320 0.001 0.000 0.219 262 A C 1.708 179.277 177.584 -0.025 0.000 1.163 262 A CA 1.952 53.976 52.037 -0.020 0.000 0.646 262 A CB 0.115 19.086 19.000 -0.048 0.000 0.806 262 A HN 2.222 nan 8.150 nan 0.000 0.448 263 G N -4.234 104.524 108.800 -0.069 0.000 2.559 263 G HA2 0.458 4.419 3.960 0.001 0.000 0.291 263 G HA3 0.458 4.419 3.960 0.001 0.000 0.291 263 G C 0.154 175.008 174.900 -0.077 0.000 1.424 263 G CA 0.237 45.300 45.100 -0.061 0.000 0.786 263 G HN 0.681 nan 8.290 nan 0.000 0.485 264 G N -1.460 107.313 108.800 -0.046 0.000 3.274 264 G HA2 0.486 4.447 3.960 0.001 0.000 0.250 264 G HA3 0.486 4.447 3.960 0.001 0.000 0.250 264 G C -0.337 174.538 174.900 -0.042 0.000 1.024 264 G CA 0.409 45.486 45.100 -0.039 0.000 0.840 264 G HN 1.011 nan 8.290 nan 0.000 0.522 265 V N 0.926 120.800 119.914 -0.067 0.000 2.971 265 V HA 0.529 4.650 4.120 0.001 0.000 0.309 265 V C -1.083 174.918 176.094 -0.155 0.000 1.130 265 V CA -0.805 61.444 62.300 -0.084 0.000 0.964 265 V CB 2.404 34.173 31.823 -0.091 0.000 1.029 265 V HN 0.091 nan 8.190 nan 0.000 0.427 266 I N 3.013 123.463 120.570 -0.200 0.000 2.436 266 I HA 0.388 4.559 4.170 0.001 0.000 0.289 266 I C -0.405 175.386 176.117 -0.544 0.000 1.010 266 I CA -0.568 60.555 61.300 -0.295 0.000 1.098 266 I CB 2.001 39.847 38.000 -0.257 0.000 1.266 266 I HN 0.644 nan 8.210 nan 0.000 0.434 267 N N 7.214 125.522 118.700 -0.653 0.000 2.402 267 N HA 0.110 4.851 4.740 0.001 0.000 0.252 267 N C -1.207 173.916 175.510 -0.645 0.000 1.118 267 N CA -0.276 52.077 53.050 -1.162 0.000 0.945 267 N CB 0.818 38.733 38.487 -0.954 0.000 1.147 267 N HN 0.405 nan 8.380 nan 0.000 0.495 268 L N 3.935 124.818 121.223 -0.566 0.000 2.255 268 L HA 0.421 4.762 4.340 0.001 0.000 0.289 268 L C -0.430 176.359 176.870 -0.135 0.000 1.046 268 L CA -0.096 54.595 54.840 -0.248 0.000 0.816 268 L CB 0.200 42.161 42.059 -0.163 0.000 1.197 268 L HN 0.402 nan 8.230 nan 0.000 0.427 269 K N 4.173 124.511 120.400 -0.104 0.000 2.307 269 K HA 0.253 4.574 4.320 0.001 0.000 0.263 269 K C 0.625 177.196 176.600 -0.048 0.000 0.973 269 K CA -0.467 55.778 56.287 -0.071 0.000 0.846 269 K CB 2.388 34.841 32.500 -0.078 0.000 1.100 269 K HN 0.515 nan 8.250 nan 0.000 0.438 270 V N 3.173 123.050 119.914 -0.060 0.000 2.343 270 V HA -0.254 3.867 4.120 0.001 0.000 0.247 270 V C 1.796 177.814 176.094 -0.126 0.000 1.051 270 V CA 2.695 64.930 62.300 -0.109 0.000 1.036 270 V CB -0.131 31.566 31.823 -0.209 0.000 0.654 270 V HN 0.932 nan 8.190 nan 0.000 0.451 271 A N -0.027 122.724 122.820 -0.115 0.000 1.929 271 A HA -0.153 4.168 4.320 0.001 0.000 0.216 271 A C 2.409 179.980 177.584 -0.023 0.000 1.176 271 A CA 1.583 53.569 52.037 -0.086 0.000 0.628 271 A CB -0.696 18.252 19.000 -0.086 0.000 0.816 271 A HN 0.580 nan 8.150 nan 0.000 0.444 272 R N 0.215 120.719 120.500 0.007 0.000 2.105 272 R HA -0.138 4.203 4.340 0.001 0.000 0.239 272 R C 1.804 178.127 176.300 0.037 0.000 1.135 272 R CA 2.088 58.225 56.100 0.062 0.000 0.967 272 R CB -0.364 30.004 30.300 0.113 0.000 0.861 272 R HN 0.549 nan 8.270 nan 0.000 0.442 273 V N -2.970 116.949 119.914 0.008 0.000 3.623 273 V HA 0.358 4.479 4.120 0.001 0.000 0.271 273 V C 0.887 176.985 176.094 0.006 0.000 1.248 273 V CA 0.899 63.203 62.300 0.007 0.000 1.156 273 V CB 0.360 32.182 31.823 -0.002 0.000 0.870 273 V HN 0.493 nan 8.190 nan 0.000 0.453 274 G N -1.664 107.133 108.800 -0.005 0.000 2.168 274 G HA2 0.325 4.286 3.960 0.001 0.000 0.197 274 G HA3 0.325 4.286 3.960 0.001 0.000 0.197 274 G C 1.011 175.900 174.900 -0.019 0.000 0.997 274 G CA -0.037 45.061 45.100 -0.003 0.000 0.658 274 G HN 2.264 nan 8.290 nan 0.000 0.513 275 G N -1.704 107.059 108.800 -0.062 0.000 2.343 275 G HA2 0.231 4.192 3.960 0.001 0.000 0.562 275 G HA3 0.231 4.192 3.960 0.001 0.000 0.562 275 G C 0.207 175.034 174.900 -0.122 0.000 1.269 275 G CA 0.423 45.456 45.100 -0.112 0.000 1.011 275 G HN 0.536 nan 8.290 nan 0.000 0.498 276 H N -0.077 118.967 119.070 -0.042 0.000 2.357 276 H HA 0.047 4.603 4.556 0.001 0.000 0.301 276 H C 3.072 178.288 175.328 -0.188 0.000 1.082 276 H CA 2.333 58.238 56.048 -0.238 0.000 1.342 276 H CB -0.452 28.902 29.762 -0.679 0.000 1.389 276 H HN 0.727 nan 8.280 nan 0.000 0.511 277 A N 1.182 124.083 122.820 0.135 0.000 1.858 277 A HA -0.214 4.106 4.320 0.001 0.000 0.216 277 A C 2.384 180.033 177.584 0.109 0.000 1.190 277 A CA 2.003 54.156 52.037 0.194 0.000 0.617 277 A CB -0.395 18.826 19.000 0.369 0.000 0.827 277 A HN 0.348 nan 8.150 nan 0.000 0.443 278 E N 0.062 120.318 120.200 0.092 0.000 2.150 278 E HA -0.088 4.263 4.350 0.001 0.000 0.193 278 E C 2.177 178.806 176.600 0.049 0.000 0.985 278 E CA 1.419 57.855 56.400 0.061 0.000 0.814 278 E CB -0.251 29.476 29.700 0.044 0.000 0.752 278 E HN 0.494 nan 8.360 nan 0.000 0.466 279 S N -0.126 115.597 115.700 0.039 0.000 2.368 279 S HA -0.153 4.317 4.470 0.001 0.000 0.225 279 S C 1.902 176.556 174.600 0.090 0.000 1.030 279 S CA 1.261 59.494 58.200 0.056 0.000 0.999 279 S CB -0.289 62.945 63.200 0.057 0.000 0.844 279 S HN 0.286 nan 8.310 nan 0.000 0.459 280 R N 1.088 121.620 120.500 0.054 0.000 2.096 280 R HA -0.021 4.320 4.340 0.001 0.000 0.235 280 R C 2.377 178.738 176.300 0.101 0.000 1.127 280 R CA 1.141 57.261 56.100 0.032 0.000 0.968 280 R CB -0.087 30.186 30.300 -0.045 0.000 0.861 280 R HN 0.295 nan 8.270 nan 0.000 0.440 281 R N -0.304 120.247 120.500 0.086 0.000 2.091 281 R HA -0.108 4.233 4.340 0.001 0.000 0.238 281 R C 2.284 178.636 176.300 0.087 0.000 1.136 281 R CA 1.653 57.806 56.100 0.088 0.000 0.959 281 R CB -0.375 29.967 30.300 0.071 0.000 0.856 281 R HN 0.103 nan 8.270 nan 0.000 0.437 282 V N 0.264 120.220 119.914 0.070 0.000 2.295 282 V HA -0.283 3.838 4.120 0.001 0.000 0.246 282 V C 2.251 178.366 176.094 0.035 0.000 1.049 282 V CA 2.249 64.570 62.300 0.034 0.000 1.024 282 V CB -0.665 31.157 31.823 -0.002 0.000 0.648 282 V HN 0.453 nan 8.190 nan 0.000 0.447 283 H N 0.264 119.300 119.070 -0.058 0.000 2.352 283 H HA -0.200 4.357 4.556 0.001 0.000 0.299 283 H C 2.005 177.311 175.328 -0.038 0.000 1.097 283 H CA 2.209 58.196 56.048 -0.101 0.000 1.311 283 H CB -0.016 29.713 29.762 -0.055 0.000 1.377 283 H HN 0.398 nan 8.280 nan 0.000 0.504 284 D N -0.112 120.418 120.400 0.216 0.000 2.149 284 D HA -0.106 4.535 4.640 0.001 0.000 0.201 284 D C 2.459 178.798 176.300 0.065 0.000 0.972 284 D CA 1.035 55.122 54.000 0.145 0.000 0.835 284 D CB -0.237 40.666 40.800 0.171 0.000 0.966 284 D HN 0.304 nan 8.370 nan 0.000 0.476 285 V N 1.618 121.582 119.914 0.082 0.000 2.295 285 V HA -0.251 3.869 4.120 0.001 0.000 0.246 285 V C 2.563 178.777 176.094 0.200 0.000 1.049 285 V CA 1.824 64.203 62.300 0.132 0.000 1.024 285 V CB -0.825 31.079 31.823 0.135 0.000 0.648 285 V HN 0.172 nan 8.190 nan 0.000 0.447 286 A N -0.363 122.499 122.820 0.070 0.000 1.873 286 A HA -0.372 3.949 4.320 0.001 0.000 0.218 286 A C 2.188 179.796 177.584 0.040 0.000 1.193 286 A CA 2.556 54.607 52.037 0.023 0.000 0.629 286 A CB -0.745 18.178 19.000 -0.128 0.000 0.826 286 A HN 0.556 nan 8.150 nan 0.000 0.447 287 Q N 0.762 120.517 119.800 -0.075 0.000 2.112 287 Q HA -0.192 4.148 4.340 0.001 0.000 0.206 287 Q C 2.190 178.189 176.000 -0.002 0.000 0.987 287 Q CA 2.846 58.604 55.803 -0.076 0.000 0.858 287 Q CB -0.570 28.081 28.738 -0.145 0.000 0.905 287 Q HN 0.783 nan 8.270 nan 0.000 0.420 288 S N -1.287 114.421 115.700 0.013 0.000 2.419 288 S HA -0.119 4.352 4.470 0.001 0.000 0.233 288 S C 1.519 176.041 174.600 -0.131 0.000 1.016 288 S CA 0.988 59.151 58.200 -0.062 0.000 0.974 288 S CB -0.604 62.532 63.200 -0.106 0.000 0.786 288 S HN 0.431 nan 8.310 nan 0.000 0.492 289 F N 2.166 122.092 119.950 -0.039 0.000 2.797 289 F HA 0.354 4.881 4.527 0.001 0.000 0.302 289 F C 1.893 177.672 175.800 -0.035 0.000 1.130 289 F CA 0.175 58.155 58.000 -0.034 0.000 1.387 289 F CB -0.388 38.589 39.000 -0.039 0.000 1.107 289 F HN 0.389 nan 8.300 nan 0.000 0.577 290 G N 1.197 110.056 108.800 0.099 0.000 2.305 290 G HA2 -0.112 3.849 3.960 0.001 0.000 0.287 290 G HA3 -0.112 3.849 3.960 0.001 0.000 0.287 290 G C 0.018 174.946 174.900 0.047 0.000 1.036 290 G CA 0.125 45.255 45.100 0.050 0.000 0.887 290 G HN 0.657 nan 8.290 nan 0.000 0.505 291 A N 0.384 123.229 122.820 0.041 0.000 2.330 291 A HA 0.940 5.261 4.320 0.001 0.000 0.327 291 A C -1.772 175.779 177.584 -0.056 0.000 1.155 291 A CA -1.508 50.527 52.037 -0.003 0.000 0.803 291 A CB 2.206 21.190 19.000 -0.027 0.000 1.208 291 A HN 0.219 nan 8.150 nan 0.000 0.477 292 P HA 0.490 nan 4.420 nan 0.000 0.282 292 P C -0.403 176.830 177.300 -0.111 0.000 1.259 292 P CA -0.233 62.827 63.100 -0.067 0.000 0.826 292 P CB 1.535 33.246 31.700 0.018 0.000 1.064 293 V N -1.801 117.984 119.914 -0.215 0.000 3.113 293 V HA 0.849 4.970 4.120 0.001 0.000 0.316 293 V C -0.830 175.188 176.094 -0.127 0.000 1.125 293 V CA -0.849 61.262 62.300 -0.315 0.000 1.026 293 V CB 2.275 33.734 31.823 -0.608 0.000 1.080 293 V HN 0.823 nan 8.190 nan 0.000 0.444 294 W N -0.248 120.940 121.300 -0.187 0.000 3.075 294 W HA 0.645 5.306 4.660 0.001 0.000 0.334 294 W C -1.326 175.354 176.519 0.269 0.000 1.243 294 W CA -1.394 56.019 57.345 0.113 0.000 1.170 294 W CB 1.125 30.649 29.460 0.106 0.000 1.452 294 W HN 0.867 nan 8.180 nan 0.000 0.572 295 C N 3.064 122.746 119.300 0.636 0.000 2.349 295 C HA 0.651 5.111 4.460 0.001 0.000 0.348 295 C C 1.162 176.261 174.990 0.182 0.000 1.223 295 C CA 0.572 59.807 59.018 0.361 0.000 1.746 295 C CB -1.025 26.857 27.740 0.236 0.000 2.360 295 C HN 0.774 nan 8.230 nan 0.000 0.533 296 G N 4.245 112.959 108.800 -0.144 0.000 2.572 296 G HA2 0.569 4.530 3.960 0.001 0.000 0.261 296 G HA3 0.569 4.530 3.960 0.001 0.000 0.261 296 G C 0.107 175.003 174.900 -0.007 0.000 1.197 296 G CA 0.154 45.182 45.100 -0.120 0.000 0.870 296 G HN 1.173 nan 8.290 nan 0.000 0.548 297 G N -0.899 107.907 108.800 0.010 0.000 2.537 297 G HA2 0.527 4.488 3.960 0.001 0.000 0.308 297 G HA3 0.527 4.488 3.960 0.001 0.000 0.308 297 G C -0.234 174.595 174.900 -0.118 0.000 1.237 297 G CA -0.658 44.419 45.100 -0.039 0.000 0.968 297 G HN 0.412 nan 8.290 nan 0.000 0.481 298 M N 1.618 121.130 119.600 -0.145 0.000 4.045 298 M HA 0.270 4.750 4.480 0.001 0.000 0.498 298 M C 0.317 176.538 176.300 -0.132 0.000 1.896 298 M CA -0.202 54.991 55.300 -0.177 0.000 0.626 298 M CB -0.003 32.475 32.600 -0.204 0.000 1.458 298 M HN 0.588 nan 8.290 nan 0.000 0.556 299 L N 1.230 122.335 121.223 -0.197 0.000 3.660 299 L HA -0.262 4.078 4.340 0.001 0.000 0.440 299 L C -0.236 176.632 176.870 -0.004 0.000 1.262 299 L CA 0.608 55.298 54.840 -0.250 0.000 0.837 299 L CB -0.840 41.151 42.059 -0.115 0.000 1.689 299 L HN 0.407 nan 8.230 nan 0.000 0.890 300 E N -0.157 120.030 120.200 -0.022 0.000 2.366 300 E HA 0.355 4.706 4.350 0.001 0.000 0.266 300 E C 0.650 177.445 176.600 0.324 0.000 1.051 300 E CA 0.456 56.929 56.400 0.122 0.000 0.884 300 E CB 0.869 30.591 29.700 0.038 0.000 1.006 300 E HN 0.379 nan 8.360 nan 0.000 0.417 301 S N 1.089 116.886 115.700 0.161 0.000 2.617 301 S HA 0.130 4.601 4.470 0.001 0.000 0.255 301 S C 1.443 176.065 174.600 0.036 0.000 1.318 301 S CA -0.224 57.917 58.200 -0.099 0.000 0.978 301 S CB 0.859 63.859 63.200 -0.333 0.000 0.961 301 S HN 0.623 nan 8.310 nan 0.000 0.582 302 G N -0.040 108.756 108.800 -0.006 0.000 2.471 302 G HA2 -0.054 3.906 3.960 0.001 0.000 0.219 302 G HA3 -0.054 3.906 3.960 0.001 0.000 0.219 302 G C 1.226 176.165 174.900 0.065 0.000 1.125 302 G CA 0.539 45.675 45.100 0.060 0.000 0.775 302 G HN 0.602 nan 8.290 nan 0.000 0.548 303 I N 1.778 122.379 120.570 0.051 0.000 2.113 303 I HA -0.092 4.078 4.170 0.001 0.000 0.238 303 I C 3.016 179.255 176.117 0.203 0.000 1.070 303 I CA 1.627 62.993 61.300 0.109 0.000 1.332 303 I CB -1.496 36.553 38.000 0.082 0.000 1.044 303 I HN 0.229 nan 8.210 nan 0.000 0.402 304 G N 0.176 109.051 108.800 0.126 0.000 2.402 304 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 304 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 304 G C 1.924 176.897 174.900 0.122 0.000 1.162 304 G CA 0.580 45.745 45.100 0.108 0.000 0.777 304 G HN 0.281 nan 8.290 nan 0.000 0.539 305 R N 0.397 120.957 120.500 0.100 0.000 2.091 305 R HA -0.018 4.323 4.340 0.001 0.000 0.238 305 R C 2.882 179.242 176.300 0.100 0.000 1.136 305 R CA 1.460 57.612 56.100 0.086 0.000 0.959 305 R CB -0.317 30.039 30.300 0.093 0.000 0.856 305 R HN 0.308 nan 8.270 nan 0.000 0.437 306 A N 0.219 123.107 122.820 0.115 0.000 1.902 306 A HA -0.183 4.137 4.320 0.001 0.000 0.217 306 A C 1.903 179.588 177.584 0.168 0.000 1.181 306 A CA 1.385 53.493 52.037 0.118 0.000 0.623 306 A CB -0.820 18.225 19.000 0.076 0.000 0.818 306 A HN 0.434 nan 8.150 nan 0.000 0.443 307 H N -0.041 119.105 119.070 0.126 0.000 2.352 307 H HA -0.115 4.442 4.556 0.001 0.000 0.299 307 H C 1.949 177.376 175.328 0.165 0.000 1.097 307 H CA 1.769 57.921 56.048 0.172 0.000 1.311 307 H CB -0.099 29.763 29.762 0.166 0.000 1.377 307 H HN 0.434 nan 8.280 nan 0.000 0.504 308 N N 0.832 119.653 118.700 0.201 0.000 2.084 308 N HA -0.113 4.628 4.740 0.001 0.000 0.190 308 N C 2.212 177.713 175.510 -0.015 0.000 1.030 308 N CA 0.800 53.893 53.050 0.071 0.000 0.849 308 N CB -0.448 38.063 38.487 0.040 0.000 1.012 308 N HN 0.353 nan 8.380 nan 0.000 0.423 309 I N 0.523 121.091 120.570 -0.004 0.000 2.226 309 I HA -0.268 3.903 4.170 0.001 0.000 0.245 309 I C 2.163 178.169 176.117 -0.184 0.000 1.100 309 I CA 1.078 62.318 61.300 -0.100 0.000 1.374 309 I CB -0.354 37.585 38.000 -0.103 0.000 1.057 309 I HN 0.276 nan 8.210 nan 0.000 0.413 310 H N 0.091 119.086 119.070 -0.124 0.000 2.321 310 H HA -0.161 4.395 4.556 0.001 0.000 0.300 310 H C 2.203 177.394 175.328 -0.228 0.000 1.087 310 H CA 1.615 57.559 56.048 -0.173 0.000 1.319 310 H CB -0.151 29.490 29.762 -0.202 0.000 1.379 310 H HN 0.208 nan 8.280 nan 0.000 0.501 311 L N 1.103 122.280 121.223 -0.077 0.000 2.042 311 L HA -0.149 4.192 4.340 0.001 0.000 0.210 311 L C 2.190 178.720 176.870 -0.567 0.000 1.076 311 L CA 1.523 56.249 54.840 -0.190 0.000 0.749 311 L CB -0.739 41.304 42.059 -0.026 0.000 0.893 311 L HN -0.012 nan 8.230 nan 0.000 0.432 312 S N -1.109 114.158 115.700 -0.722 0.000 2.500 312 S HA -0.143 4.327 4.470 0.001 0.000 0.239 312 S C 1.707 175.999 174.600 -0.513 0.000 0.989 312 S CA 1.174 58.742 58.200 -1.055 0.000 0.951 312 S CB -0.871 62.003 63.200 -0.543 0.000 0.759 312 S HN 0.803 nan 8.310 nan 0.000 0.523 313 T N -0.331 114.030 114.554 -0.321 0.000 3.113 313 T HA 0.142 4.493 4.350 0.001 0.000 0.263 313 T C 0.470 175.099 174.700 -0.118 0.000 1.143 313 T CA 0.035 62.026 62.100 -0.182 0.000 1.090 313 T CB -0.423 68.344 68.868 -0.167 0.000 0.922 313 T HN -0.005 nan 8.240 nan 0.000 0.521 314 L N 2.933 124.116 121.223 -0.067 0.000 2.439 314 L HA 0.298 4.639 4.340 0.001 0.000 0.269 314 L C 1.867 178.922 176.870 0.308 0.000 1.179 314 L CA 0.266 55.134 54.840 0.047 0.000 0.828 314 L CB 0.918 42.879 42.059 -0.164 0.000 1.106 314 L HN 0.328 nan 8.230 nan 0.000 0.467 315 S N 0.390 116.246 115.700 0.260 0.000 2.447 315 S HA -0.129 4.342 4.470 0.001 0.000 0.233 315 S C 1.251 175.988 174.600 0.228 0.000 1.006 315 S CA 1.031 59.343 58.200 0.187 0.000 0.957 315 S CB -0.482 62.774 63.200 0.093 0.000 0.773 315 S HN 0.762 nan 8.310 nan 0.000 0.507 316 N N -0.165 118.720 118.700 0.309 0.000 2.383 316 N HA 0.105 4.845 4.740 0.001 0.000 0.192 316 N C -0.984 174.470 175.510 -0.094 0.000 1.141 316 N CA -0.201 52.769 53.050 -0.134 0.000 0.851 316 N CB -0.007 38.030 38.487 -0.749 0.000 0.976 316 N HN 0.330 nan 8.380 nan 0.000 0.465 317 F N 1.282 121.324 119.950 0.153 0.000 2.652 317 F HA 0.221 4.749 4.527 0.002 0.000 0.352 317 F C 1.335 177.203 175.800 0.113 0.000 1.259 317 F CA -0.081 58.006 58.000 0.145 0.000 1.249 317 F CB 0.331 39.419 39.000 0.146 0.000 1.628 317 F HN -0.117 nan 8.300 nan 0.000 0.654 318 R N 1.308 121.912 120.500 0.173 0.000 2.362 318 R HA 0.314 4.655 4.340 0.001 0.000 0.227 318 R C -0.212 176.167 176.300 0.132 0.000 0.905 318 R CA 0.090 56.268 56.100 0.130 0.000 1.067 318 R CB 0.447 30.789 30.300 0.070 0.000 1.078 318 R HN 0.396 nan 8.270 nan 0.000 0.516 319 L N 0.731 122.066 121.223 0.188 0.000 2.341 319 L HA 0.509 4.850 4.340 0.001 0.000 0.267 319 L C -2.424 174.561 176.870 0.191 0.000 1.009 319 L CA -2.666 52.261 54.840 0.145 0.000 0.819 319 L CB 1.958 44.083 42.059 0.110 0.000 1.323 319 L HN -0.263 nan 8.230 nan 0.000 0.425 320 P HA 0.157 nan 4.420 nan 0.000 0.269 320 P C -0.456 176.961 177.300 0.196 0.000 1.209 320 P CA -0.159 63.010 63.100 0.114 0.000 0.776 320 P CB 0.695 32.420 31.700 0.041 0.000 0.876 321 G N 0.461 109.418 108.800 0.262 0.000 2.537 321 G HA2 0.310 4.271 3.960 0.001 0.000 0.323 321 G HA3 0.310 4.271 3.960 0.001 0.000 0.323 321 G C -0.862 174.206 174.900 0.280 0.000 1.207 321 G CA -0.514 44.821 45.100 0.391 0.000 0.976 321 G HN 0.308 nan 8.290 nan 0.000 0.487 322 D N 1.333 121.926 120.400 0.323 0.000 2.713 322 D HA 0.190 4.830 4.640 0.001 0.000 0.229 322 D C 0.677 177.063 176.300 0.144 0.000 1.136 322 D CA 0.159 54.287 54.000 0.213 0.000 1.010 322 D CB 0.231 41.163 40.800 0.220 0.000 1.084 322 D HN 0.371 nan 8.370 nan 0.000 0.495 323 T N -2.281 112.358 114.554 0.141 0.000 3.532 323 T HA 0.270 4.621 4.350 0.001 0.000 0.241 323 T C 0.649 175.435 174.700 0.143 0.000 1.238 323 T CA -0.795 61.369 62.100 0.105 0.000 1.405 323 T CB 0.032 68.940 68.868 0.067 0.000 0.971 323 T HN 0.053 nan 8.240 nan 0.000 0.640 324 S N 0.979 116.807 115.700 0.213 0.000 2.641 324 S HA 0.520 4.991 4.470 0.001 0.000 0.261 324 S C 0.409 175.168 174.600 0.264 0.000 1.257 324 S CA -0.697 57.663 58.200 0.266 0.000 0.983 324 S CB 0.348 63.747 63.200 0.331 0.000 0.990 324 S HN 0.423 nan 8.310 nan 0.000 0.572 325 S N 0.996 116.824 115.700 0.213 0.000 2.575 325 S HA 0.266 4.737 4.470 0.001 0.000 0.295 325 S C 1.587 176.346 174.600 0.266 0.000 1.267 325 S CA -0.091 58.212 58.200 0.173 0.000 1.074 325 S CB 0.257 63.516 63.200 0.099 0.000 0.829 325 S HN 0.957 nan 8.310 nan 0.000 0.497 326 A N 3.779 126.762 122.820 0.271 0.000 1.948 326 A HA -0.157 4.164 4.320 0.001 0.000 0.220 326 A C 2.334 180.114 177.584 0.327 0.000 1.177 326 A CA 1.980 54.248 52.037 0.385 0.000 0.636 326 A CB -1.017 18.189 19.000 0.342 0.000 0.815 326 A HN 0.951 nan 8.150 nan 0.000 0.449 327 S N -0.372 115.435 115.700 0.180 0.000 2.474 327 S HA -0.127 4.343 4.470 0.001 0.000 0.235 327 S C 1.745 176.337 174.600 -0.014 0.000 0.997 327 S CA 0.974 59.234 58.200 0.100 0.000 0.949 327 S CB -0.458 62.778 63.200 0.059 0.000 0.766 327 S HN 0.640 nan 8.310 nan 0.000 0.517 328 R N -0.708 119.729 120.500 -0.105 0.000 2.280 328 R HA 0.068 4.408 4.340 0.001 0.000 0.207 328 R C 1.000 176.897 176.300 -0.671 0.000 1.043 328 R CA 1.242 57.108 56.100 -0.391 0.000 1.006 328 R CB -0.213 29.756 30.300 -0.552 0.000 0.885 328 R HN 0.611 nan 8.270 nan 0.000 0.467 329 Y N -2.491 117.619 120.300 -0.317 0.000 2.638 329 Y HA 0.145 4.695 4.550 0.001 0.000 0.275 329 Y C 0.222 175.644 175.900 -0.795 0.000 1.122 329 Y CA -0.399 57.254 58.100 -0.745 0.000 1.266 329 Y CB 0.607 38.361 38.460 -1.176 0.000 1.317 329 Y HN -0.064 nan 8.280 nan 0.000 0.501 330 W N 1.917 123.305 121.300 0.147 0.000 2.785 330 W HA 0.302 4.963 4.660 0.002 0.000 0.333 330 W C 0.909 177.454 176.519 0.043 0.000 1.062 330 W CA -0.937 56.465 57.345 0.095 0.000 1.233 330 W CB 1.084 30.613 29.460 0.115 0.000 1.413 330 W HN -0.147 nan 8.180 nan 0.000 0.489 331 E N 1.765 122.117 120.200 0.255 0.000 2.070 331 E HA -0.186 4.164 4.350 0.001 0.000 0.197 331 E C 0.217 176.883 176.600 0.110 0.000 1.004 331 E CA 1.386 57.868 56.400 0.136 0.000 0.805 331 E CB 0.106 29.869 29.700 0.105 0.000 0.744 331 E HN 0.532 nan 8.360 nan 0.000 0.451 332 R N 0.045 120.629 120.500 0.140 0.000 2.584 332 R HA 0.225 4.565 4.340 0.001 0.000 0.276 332 R C -1.524 174.789 176.300 0.022 0.000 1.046 332 R CA -0.600 55.472 56.100 -0.046 0.000 0.906 332 R CB 1.607 31.660 30.300 -0.411 0.000 1.215 332 R HN -0.083 nan 8.270 nan 0.000 0.449 333 D N 2.617 123.000 120.400 -0.028 0.000 2.340 333 D HA 0.199 4.840 4.640 0.001 0.000 0.251 333 D C 1.093 177.423 176.300 0.051 0.000 1.080 333 D CA -0.433 53.537 54.000 -0.049 0.000 0.971 333 D CB 1.464 42.272 40.800 0.014 0.000 1.137 333 D HN 0.560 nan 8.370 nan 0.000 0.475 334 L N 1.250 122.466 121.223 -0.012 0.000 2.465 334 L HA 0.075 4.416 4.340 0.001 0.000 0.224 334 L C 0.962 177.877 176.870 0.074 0.000 1.145 334 L CA 0.445 55.329 54.840 0.074 0.000 0.834 334 L CB -0.459 41.553 42.059 -0.077 0.000 0.944 334 L HN 0.345 nan 8.230 nan 0.000 0.451 335 I N -4.922 115.671 120.570 0.038 0.000 2.863 335 I HA 0.212 4.383 4.170 0.001 0.000 0.311 335 I C 0.772 176.905 176.117 0.027 0.000 1.026 335 I CA -0.796 60.523 61.300 0.032 0.000 1.077 335 I CB 1.252 39.266 38.000 0.023 0.000 1.262 335 I HN -0.127 nan 8.210 nan 0.000 0.461 336 Q N 0.790 120.604 119.800 0.022 0.000 2.230 336 Q HA -0.005 4.335 4.340 0.001 0.000 0.202 336 Q C -0.361 175.643 176.000 0.005 0.000 0.963 336 Q CA 1.084 56.893 55.803 0.011 0.000 0.866 336 Q CB -0.007 28.738 28.738 0.013 0.000 0.931 336 Q HN 0.632 nan 8.270 nan 0.000 0.452 337 E N 1.803 122.011 120.200 0.013 0.000 2.249 337 E HA 0.154 4.505 4.350 0.001 0.000 0.280 337 E C -2.374 174.239 176.600 0.023 0.000 1.016 337 E CA -2.227 54.181 56.400 0.014 0.000 0.830 337 E CB 0.609 30.319 29.700 0.016 0.000 1.081 337 E HN 0.010 nan 8.360 nan 0.000 0.395 338 P HA 0.089 nan 4.420 nan 0.000 0.276 338 P C -0.804 176.519 177.300 0.039 0.000 1.243 338 P CA -0.045 63.075 63.100 0.032 0.000 0.768 338 P CB 0.544 32.256 31.700 0.020 0.000 0.856 339 L N 3.985 125.245 121.223 0.063 0.000 2.321 339 L HA 0.346 4.687 4.340 0.001 0.000 0.272 339 L C 0.491 177.403 176.870 0.070 0.000 1.050 339 L CA -0.187 54.690 54.840 0.062 0.000 0.893 339 L CB 0.555 42.663 42.059 0.081 0.000 1.272 339 L HN 0.219 nan 8.230 nan 0.000 0.435 340 E N 2.564 122.789 120.200 0.042 0.000 2.199 340 E HA 0.549 4.899 4.350 0.001 0.000 0.265 340 E C -0.618 175.988 176.600 0.009 0.000 0.882 340 E CA -0.516 55.905 56.400 0.035 0.000 0.759 340 E CB 2.775 32.489 29.700 0.023 0.000 1.148 340 E HN 0.479 nan 8.360 nan 0.000 0.412 341 A N 2.399 125.221 122.820 0.004 0.000 2.327 341 A HA 0.554 4.875 4.320 0.001 0.000 0.283 341 A C -0.245 177.292 177.584 -0.079 0.000 1.127 341 A CA -0.483 51.531 52.037 -0.039 0.000 0.810 341 A CB 0.728 19.701 19.000 -0.045 0.000 1.066 341 A HN 0.328 nan 8.150 nan 0.000 0.492 342 V N 2.357 122.217 119.914 -0.089 0.000 2.531 342 V HA 0.364 4.485 4.120 0.001 0.000 0.301 342 V C -0.015 176.008 176.094 -0.119 0.000 1.034 342 V CA 0.165 62.408 62.300 -0.094 0.000 0.865 342 V CB 1.286 33.075 31.823 -0.057 0.000 0.995 342 V HN 1.138 nan 8.190 nan 0.000 0.424 343 D N 4.140 124.450 120.400 -0.150 0.000 2.751 343 D HA -0.178 4.463 4.640 0.001 0.000 0.233 343 D C 1.226 177.426 176.300 -0.166 0.000 1.149 343 D CA 2.073 55.988 54.000 -0.142 0.000 0.682 343 D CB -1.027 39.724 40.800 -0.080 0.000 1.068 343 D HN 1.589 nan 8.370 nan 0.000 0.429 344 G N -1.292 107.345 108.800 -0.273 0.000 2.153 344 G HA2 -0.284 3.677 3.960 0.001 0.000 0.252 344 G HA3 -0.284 3.677 3.960 0.001 0.000 0.252 344 G C 0.228 175.070 174.900 -0.097 0.000 0.994 344 G CA 0.444 45.405 45.100 -0.231 0.000 0.698 344 G HN 0.588 nan 8.290 nan 0.000 0.521 345 L N -0.292 120.879 121.223 -0.087 0.000 2.349 345 L HA 0.695 5.036 4.340 0.001 0.000 0.278 345 L C 0.166 177.010 176.870 -0.043 0.000 0.996 345 L CA -1.066 53.745 54.840 -0.047 0.000 0.825 345 L CB 1.816 43.851 42.059 -0.040 0.000 1.243 345 L HN 0.173 nan 8.230 nan 0.000 0.412 346 M N 6.959 126.543 119.600 -0.027 0.000 2.113 346 M HA 0.493 4.974 4.480 0.001 0.000 0.352 346 M C -2.489 173.785 176.300 -0.042 0.000 1.170 346 M CA -1.948 53.338 55.300 -0.024 0.000 1.053 346 M CB 1.048 33.645 32.600 -0.005 0.000 1.601 346 M HN 0.084 nan 8.290 nan 0.000 0.459 347 P HA 0.135 nan 4.420 nan 0.000 0.274 347 P C -1.009 176.238 177.300 -0.089 0.000 1.231 347 P CA -0.440 62.627 63.100 -0.056 0.000 0.790 347 P CB 0.440 32.115 31.700 -0.041 0.000 0.951 348 V N 4.776 124.614 119.914 -0.126 0.000 2.470 348 V HA 0.137 4.258 4.120 0.001 0.000 0.276 348 V C -1.635 174.369 176.094 -0.150 0.000 1.040 348 V CA -1.203 60.963 62.300 -0.223 0.000 1.008 348 V CB 0.008 31.655 31.823 -0.293 0.000 0.990 348 V HN 0.603 nan 8.190 nan 0.000 0.477 349 P HA 0.136 nan 4.420 nan 0.000 0.267 349 P C -0.617 176.699 177.300 0.027 0.000 1.209 349 P CA -0.304 62.788 63.100 -0.013 0.000 0.763 349 P CB 0.527 32.251 31.700 0.041 0.000 0.816 350 Q N 2.092 121.899 119.800 0.012 0.000 2.354 350 Q HA 0.586 4.927 4.340 0.001 0.000 0.244 350 Q C 0.317 176.330 176.000 0.022 0.000 0.969 350 Q CA -0.247 55.566 55.803 0.016 0.000 0.885 350 Q CB 0.710 29.448 28.738 -0.001 0.000 1.241 350 Q HN 0.802 nan 8.270 nan 0.000 0.461 351 G N 0.815 109.623 108.800 0.014 0.000 2.381 351 G HA2 0.041 4.002 3.960 0.001 0.000 0.672 351 G HA3 0.041 4.002 3.960 0.001 0.000 0.672 351 G C -3.005 171.878 174.900 -0.028 0.000 1.324 351 G CA -0.600 44.494 45.100 -0.009 0.000 0.975 351 G HN 0.742 nan 8.290 nan 0.000 0.593 352 P HA 0.474 nan 4.420 nan 0.000 0.274 352 P C 1.346 178.556 177.300 -0.150 0.000 1.237 352 P CA 1.506 64.546 63.100 -0.099 0.000 0.793 352 P CB 0.859 32.501 31.700 -0.098 0.000 0.977 353 G N 1.867 110.547 108.800 -0.201 0.000 2.651 353 G HA2 -0.385 3.576 3.960 0.001 0.000 0.315 353 G HA3 -0.385 3.576 3.960 0.001 0.000 0.315 353 G C 1.162 175.744 174.900 -0.529 0.000 1.258 353 G CA 1.616 46.541 45.100 -0.291 0.000 1.002 353 G HN 0.718 nan 8.290 nan 0.000 0.551 354 T N -1.036 113.218 114.554 -0.500 0.000 2.995 354 T HA 0.334 4.685 4.350 0.001 0.000 0.269 354 T C 2.693 177.296 174.700 -0.160 0.000 1.091 354 T CA 1.905 63.663 62.100 -0.570 0.000 1.128 354 T CB -0.363 68.247 68.868 -0.430 0.000 0.891 354 T HN 2.781 nan 8.240 nan 0.000 0.492 355 G N 0.792 109.529 108.800 -0.105 0.000 2.153 355 G HA2 -0.187 3.773 3.960 0.001 0.000 0.252 355 G HA3 -0.187 3.773 3.960 0.001 0.000 0.252 355 G C 0.175 175.081 174.900 0.010 0.000 0.994 355 G CA 0.484 45.587 45.100 0.005 0.000 0.698 355 G HN 1.598 nan 8.290 nan 0.000 0.521 356 V N -3.513 116.391 119.914 -0.015 0.000 3.046 356 V HA 1.020 5.140 4.120 0.001 0.000 0.316 356 V C -0.099 175.989 176.094 -0.011 0.000 1.104 356 V CA -0.187 62.111 62.300 -0.002 0.000 1.006 356 V CB 2.234 34.065 31.823 0.013 0.000 1.058 356 V HN 0.679 nan 8.190 nan 0.000 0.440 357 T N 2.805 117.360 114.554 0.003 0.000 2.991 357 T HA 0.562 4.913 4.350 0.001 0.000 0.303 357 T C -0.468 174.242 174.700 0.017 0.000 1.015 357 T CA -0.451 61.652 62.100 0.005 0.000 1.007 357 T CB 1.274 70.145 68.868 0.006 0.000 1.034 357 T HN 0.775 nan 8.240 nan 0.000 0.446 358 L N 2.548 123.782 121.223 0.018 0.000 2.485 358 L HA 0.183 4.524 4.340 0.001 0.000 0.275 358 L C 0.708 177.604 176.870 0.043 0.000 1.207 358 L CA -0.187 54.670 54.840 0.029 0.000 0.855 358 L CB 0.331 42.403 42.059 0.022 0.000 1.114 358 L HN 0.652 nan 8.230 nan 0.000 0.485 359 D N 2.918 123.360 120.400 0.070 0.000 2.468 359 D HA 0.066 4.707 4.640 0.001 0.000 0.218 359 D C 0.999 177.354 176.300 0.092 0.000 1.155 359 D CA -0.352 53.705 54.000 0.095 0.000 0.924 359 D CB 0.702 41.591 40.800 0.148 0.000 1.029 359 D HN 0.304 nan 8.370 nan 0.000 0.515 360 R N 2.055 122.590 120.500 0.059 0.000 2.120 360 R HA -0.097 4.244 4.340 0.001 0.000 0.234 360 R C 1.540 177.860 176.300 0.034 0.000 1.123 360 R CA 0.632 56.754 56.100 0.037 0.000 0.975 360 R CB -0.096 30.225 30.300 0.034 0.000 0.866 360 R HN 0.490 nan 8.270 nan 0.000 0.446 361 E N -0.029 120.207 120.200 0.061 0.000 2.112 361 E HA -0.086 4.265 4.350 0.001 0.000 0.190 361 E C 1.672 178.325 176.600 0.089 0.000 0.979 361 E CA 0.487 56.924 56.400 0.061 0.000 0.814 361 E CB -0.206 29.535 29.700 0.067 0.000 0.762 361 E HN 0.144 nan 8.360 nan 0.000 0.460 362 F N 1.413 121.361 119.950 -0.004 0.000 2.134 362 F HA -0.191 4.336 4.527 0.000 0.000 0.299 362 F C 2.131 177.923 175.800 -0.013 0.000 1.097 362 F CA 1.033 59.029 58.000 -0.007 0.000 1.264 362 F CB -0.609 38.384 39.000 -0.012 0.000 1.001 362 F HN 0.096 nan 8.300 nan 0.000 0.479 363 L N 1.153 122.263 121.223 -0.187 0.000 2.043 363 L HA -0.123 4.217 4.340 0.001 0.000 0.212 363 L C 2.416 179.139 176.870 -0.244 0.000 1.075 363 L CA 2.225 56.903 54.840 -0.270 0.000 0.752 363 L CB -1.584 40.415 42.059 -0.101 0.000 0.891 363 L HN 0.188 nan 8.230 nan 0.000 0.432 364 A N -1.228 121.508 122.820 -0.140 0.000 1.933 364 A HA -0.232 4.089 4.320 0.001 0.000 0.218 364 A C 2.345 179.856 177.584 -0.122 0.000 1.175 364 A CA 2.270 54.248 52.037 -0.098 0.000 0.628 364 A CB -1.371 17.603 19.000 -0.044 0.000 0.814 364 A HN 0.659 nan 8.150 nan 0.000 0.444 365 T N -1.986 112.471 114.554 -0.161 0.000 2.962 365 T HA -0.040 4.311 4.350 0.001 0.000 0.270 365 T C 1.124 175.714 174.700 -0.182 0.000 1.088 365 T CA 1.589 63.606 62.100 -0.138 0.000 1.127 365 T CB -0.637 68.184 68.868 -0.078 0.000 0.883 365 T HN 0.874 nan 8.240 nan 0.000 0.493 366 V N -1.877 117.861 119.914 -0.293 0.000 3.176 366 V HA 0.409 4.530 4.120 0.001 0.000 0.332 366 V C 0.310 176.311 176.094 -0.155 0.000 1.414 366 V CA -0.698 61.466 62.300 -0.226 0.000 1.133 366 V CB -0.582 31.047 31.823 -0.323 0.000 1.088 366 V HN 0.203 nan 8.190 nan 0.000 0.473 367 T N 1.492 115.967 114.554 -0.132 0.000 2.761 367 T HA 0.269 4.620 4.350 0.001 0.000 0.296 367 T C 0.863 175.525 174.700 -0.065 0.000 0.934 367 T CA 0.380 62.426 62.100 -0.091 0.000 1.091 367 T CB 1.764 70.586 68.868 -0.077 0.000 0.896 367 T HN 0.547 nan 8.240 nan 0.000 0.515 368 E N 2.340 122.508 120.200 -0.054 0.000 2.190 368 E HA 0.354 4.704 4.350 0.001 0.000 0.191 368 E C 0.366 176.946 176.600 -0.033 0.000 0.978 368 E CA 0.243 56.618 56.400 -0.043 0.000 0.839 368 E CB 0.367 30.044 29.700 -0.038 0.000 0.787 368 E HN 0.788 nan 8.360 nan 0.000 0.473 369 A N 0.201 123.003 122.820 -0.029 0.000 2.582 369 A HA 0.541 4.861 4.320 0.001 0.000 0.297 369 A C -1.634 175.942 177.584 -0.014 0.000 1.059 369 A CA -0.858 51.167 52.037 -0.020 0.000 0.705 369 A CB 1.044 20.036 19.000 -0.013 0.000 1.279 369 A HN 0.102 nan 8.150 nan 0.000 0.404 370 Q N 0.875 120.669 119.800 -0.010 0.000 2.462 370 Q HA 0.804 5.145 4.340 0.001 0.000 0.285 370 Q C -1.183 174.814 176.000 -0.004 0.000 1.035 370 Q CA -0.824 54.979 55.803 -0.001 0.000 0.799 370 Q CB 2.276 31.011 28.738 -0.005 0.000 1.452 370 Q HN 0.934 nan 8.270 nan 0.000 0.404 371 E N 0.271 120.475 120.200 0.007 0.000 2.401 371 E HA 0.463 4.814 4.350 0.001 0.000 0.280 371 E C -1.588 174.985 176.600 -0.045 0.000 1.039 371 E CA -0.882 55.491 56.400 -0.045 0.000 0.814 371 E CB 2.420 32.097 29.700 -0.038 0.000 1.275 371 E HN 0.666 nan 8.360 nan 0.000 0.448 372 E N 1.082 121.182 120.200 -0.168 0.000 2.256 372 E HA 0.362 4.712 4.350 0.001 0.000 0.267 372 E C -1.304 175.100 176.600 -0.326 0.000 0.892 372 E CA -0.716 55.620 56.400 -0.106 0.000 0.775 372 E CB 1.522 31.192 29.700 -0.050 0.000 1.207 372 E HN 0.511 nan 8.360 nan 0.000 0.420 373 H N 2.412 121.505 119.070 0.038 0.000 2.717 373 H HA 0.534 5.090 4.556 0.001 0.000 0.366 373 H C -0.368 174.986 175.328 0.044 0.000 1.132 373 H CA -0.799 55.271 56.048 0.036 0.000 1.180 373 H CB 1.805 31.591 29.762 0.040 0.000 1.678 373 H HN 0.429 nan 8.280 nan 0.000 0.537 374 R N 0.459 121.044 120.500 0.141 0.000 2.869 374 R HA 0.641 4.982 4.340 0.001 0.000 0.263 374 R C -0.313 176.041 176.300 0.090 0.000 1.066 374 R CA -0.993 55.165 56.100 0.097 0.000 0.960 374 R CB 1.991 32.321 30.300 0.051 0.000 1.221 374 R HN 0.624 nan 8.270 nan 0.000 0.474 375 A N 0.000 122.862 122.820 0.070 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.071 52.037 0.057 0.000 0.836 375 A CB 0.000 19.025 19.000 0.042 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486