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 3cwc_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXKIVIAPDS YKESLSALEV ATAIEQGFRE IWPDADYLKL PLADGGEGTV DATA SEQUENCE EAXVEATAGR IVHVEVTGPL GHRVNAFYGL SGDARSAFIE XAAASGLEQV DATA SEQUENCE PPAQRDPLKT TSWGTGELIR HALDAGVEHI IIGIGGSATN DGGAGXVQAL DATA SEQUENCE GARLRDAQGN DIAQGGIGLE TLASIDISGL DKRLSACHIE VACDVTNPLT DATA SEQUENCE GKEGASAVFG PQKGATPEXI ERLDTALTRY AHLIARDLHV DVLDLAGGGA DATA SEQUENCE AGGXGAALYA FCGAQLRRGI EIVTDALHLE ACLADADLVI TGEGRIDSXX DATA SEQUENCE XXGKVPIGVA NIAKRYNKPV IGIAGSLTXX XXXXXXHGLD AVFSVIYTIC DATA SEQUENCE TLEDALKNAS ENVRXTARNV AATLKAGQQL R 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.483 177.584 -0.169 0.000 1.274 0 A CA 0.000 51.960 52.037 -0.129 0.000 0.836 0 A CB 0.000 18.935 19.000 -0.108 0.000 0.831 3 I N 3.316 123.732 120.570 -0.256 0.000 2.410 3 I HA 0.403 4.573 4.170 -0.001 0.000 0.286 3 I C -0.582 175.465 176.117 -0.117 0.000 1.009 3 I CA -1.283 59.893 61.300 -0.206 0.000 1.111 3 I CB 1.846 39.661 38.000 -0.310 0.000 1.262 3 I HN 0.143 nan 8.210 nan 0.000 0.443 4 V N 7.378 127.250 119.914 -0.070 0.000 2.394 4 V HA 0.431 4.550 4.120 -0.001 0.000 0.282 4 V C 0.098 176.172 176.094 -0.033 0.000 1.031 4 V CA -0.404 61.877 62.300 -0.032 0.000 0.881 4 V CB 1.757 33.568 31.823 -0.021 0.000 0.982 4 V HN 0.480 nan 8.190 nan 0.000 0.451 5 I N 4.400 124.960 120.570 -0.018 0.000 2.359 5 I HA 0.622 4.791 4.170 -0.001 0.000 0.284 5 I C 0.322 176.431 176.117 -0.014 0.000 1.018 5 I CA -0.275 61.007 61.300 -0.031 0.000 1.173 5 I CB 1.459 39.433 38.000 -0.042 0.000 1.326 5 I HN 0.669 nan 8.210 nan 0.000 0.462 6 A N 8.730 131.548 122.820 -0.004 0.000 3.258 6 A HA 0.579 4.899 4.320 -0.001 0.000 0.318 6 A C -2.739 174.854 177.584 0.015 0.000 0.990 6 A CA -1.193 50.846 52.037 0.004 0.000 0.885 6 A CB 0.050 19.057 19.000 0.011 0.000 1.090 6 A HN 0.336 nan 8.150 nan 0.000 0.479 7 P HA 0.407 nan 4.420 nan 0.000 0.283 7 P C -0.835 176.481 177.300 0.027 0.000 1.271 7 P CA -0.179 62.941 63.100 0.033 0.000 0.841 7 P CB 1.654 33.366 31.700 0.020 0.000 1.122 8 D N -0.234 120.201 120.400 0.058 0.000 2.451 8 D HA 0.214 4.853 4.640 -0.001 0.000 0.259 8 D C 0.246 176.594 176.300 0.079 0.000 1.201 8 D CA -0.088 53.948 54.000 0.059 0.000 1.028 8 D CB 0.843 41.689 40.800 0.077 0.000 1.095 8 D HN 0.361 nan 8.370 nan 0.000 0.539 9 S N -0.236 115.507 115.700 0.073 0.000 2.634 9 S HA 0.242 4.712 4.470 -0.001 0.000 0.261 9 S C -0.369 174.384 174.600 0.255 0.000 1.271 9 S CA -0.482 57.762 58.200 0.073 0.000 0.985 9 S CB 0.334 63.554 63.200 0.032 0.000 0.968 9 S HN 0.334 nan 8.310 nan 0.000 0.568 10 Y N 0.947 121.180 120.300 -0.111 0.000 2.367 10 Y HA 0.415 4.964 4.550 -0.001 0.000 0.342 10 Y C 0.637 176.468 175.900 -0.115 0.000 0.979 10 Y CA -1.560 56.431 58.100 -0.181 0.000 1.161 10 Y CB 0.509 38.639 38.460 -0.549 0.000 1.155 10 Y HN 0.520 nan 8.280 nan 0.000 0.503 11 K N 4.011 124.514 120.400 0.172 0.000 2.447 11 K HA -0.038 4.281 4.320 -0.001 0.000 0.281 11 K C 0.626 177.351 176.600 0.207 0.000 1.031 11 K CA 0.442 56.824 56.287 0.158 0.000 1.019 11 K CB 0.239 32.828 32.500 0.148 0.000 0.918 11 K HN 0.703 nan 8.250 nan 0.000 0.476 12 E N -0.560 119.720 120.200 0.133 0.000 3.496 12 E HA -0.223 4.126 4.350 -0.001 0.000 0.300 12 E C 0.245 176.915 176.600 0.118 0.000 0.877 12 E CA 1.225 57.706 56.400 0.135 0.000 1.050 12 E CB -1.411 28.395 29.700 0.175 0.000 1.532 12 E HN 0.641 nan 8.360 nan 0.000 0.447 13 S N -1.316 114.399 115.700 0.024 0.000 4.323 13 S HA 0.579 5.048 4.470 -0.001 0.000 0.245 13 S C -0.563 173.975 174.600 -0.103 0.000 1.102 13 S CA -0.514 57.636 58.200 -0.083 0.000 1.550 13 S CB 0.357 63.325 63.200 -0.387 0.000 1.359 13 S HN 0.119 nan 8.310 nan 0.000 0.725 14 L N 3.191 124.302 121.223 -0.187 0.000 2.490 14 L HA 0.285 4.625 4.340 -0.001 0.000 0.274 14 L C 0.793 177.572 176.870 -0.153 0.000 1.201 14 L CA -0.349 54.373 54.840 -0.196 0.000 0.869 14 L CB 0.666 42.520 42.059 -0.342 0.000 1.123 14 L HN 0.708 nan 8.230 nan 0.000 0.484 15 S N 2.193 117.825 115.700 -0.114 0.000 2.589 15 S HA 0.208 4.677 4.470 -0.001 0.000 0.265 15 S C 1.274 175.810 174.600 -0.107 0.000 1.342 15 S CA -0.197 57.953 58.200 -0.084 0.000 1.005 15 S CB 1.310 64.468 63.200 -0.070 0.000 0.909 15 S HN 0.713 nan 8.310 nan 0.000 0.555 16 A N 1.263 124.040 122.820 -0.071 0.000 1.892 16 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 16 A C 2.090 179.623 177.584 -0.085 0.000 1.188 16 A CA 1.906 53.902 52.037 -0.068 0.000 0.631 16 A CB -1.140 17.835 19.000 -0.042 0.000 0.822 16 A HN 1.010 nan 8.150 nan 0.000 0.447 17 L N -0.105 121.072 121.223 -0.077 0.000 2.046 17 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 17 L C 2.163 178.978 176.870 -0.092 0.000 1.077 17 L CA 2.460 57.256 54.840 -0.074 0.000 0.747 17 L CB -0.619 41.403 42.059 -0.062 0.000 0.896 17 L HN 0.534 nan 8.230 nan 0.000 0.432 18 E N -1.168 118.966 120.200 -0.111 0.000 2.106 18 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 18 E C 2.156 178.653 176.600 -0.173 0.000 0.984 18 E CA 1.317 57.641 56.400 -0.128 0.000 0.806 18 E CB -0.121 29.500 29.700 -0.131 0.000 0.750 18 E HN 0.403 nan 8.360 nan 0.000 0.458 19 V N 1.443 121.218 119.914 -0.232 0.000 2.295 19 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 19 V C 2.345 178.343 176.094 -0.161 0.000 1.049 19 V CA 1.951 64.077 62.300 -0.290 0.000 1.024 19 V CB -0.758 30.840 31.823 -0.375 0.000 0.648 19 V HN 0.330 nan 8.190 nan 0.000 0.447 20 A N -0.272 122.479 122.820 -0.115 0.000 1.930 20 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 20 A C 2.382 179.920 177.584 -0.078 0.000 1.175 20 A CA 2.372 54.363 52.037 -0.077 0.000 0.627 20 A CB -0.870 18.095 19.000 -0.058 0.000 0.815 20 A HN 0.521 nan 8.150 nan 0.000 0.443 21 T N 0.201 114.704 114.554 -0.085 0.000 2.777 21 T HA 0.052 4.401 4.350 -0.001 0.000 0.266 21 T C 2.230 176.883 174.700 -0.079 0.000 1.040 21 T CA 1.364 63.416 62.100 -0.080 0.000 1.141 21 T CB -0.385 68.439 68.868 -0.074 0.000 0.868 21 T HN 0.570 nan 8.240 nan 0.000 0.444 22 A N 1.154 123.923 122.820 -0.083 0.000 1.933 22 A HA 0.014 4.334 4.320 -0.001 0.000 0.218 22 A C 2.270 179.837 177.584 -0.028 0.000 1.175 22 A CA 1.087 53.084 52.037 -0.066 0.000 0.628 22 A CB -0.746 18.202 19.000 -0.087 0.000 0.814 22 A HN 0.516 nan 8.150 nan 0.000 0.444 23 I N -0.748 119.810 120.570 -0.020 0.000 2.252 23 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 23 I C 2.575 178.735 176.117 0.071 0.000 1.102 23 I CA 1.747 63.080 61.300 0.056 0.000 1.385 23 I CB -0.288 37.725 38.000 0.022 0.000 1.064 23 I HN 0.539 nan 8.210 nan 0.000 0.414 24 E N 0.916 121.077 120.200 -0.065 0.000 2.047 24 E HA -0.264 4.086 4.350 -0.001 0.000 0.191 24 E C 2.184 178.669 176.600 -0.191 0.000 0.987 24 E CA 1.174 57.442 56.400 -0.221 0.000 0.799 24 E CB 0.014 29.542 29.700 -0.287 0.000 0.752 24 E HN 0.482 nan 8.360 nan 0.000 0.449 25 Q N -0.180 119.554 119.800 -0.110 0.000 2.062 25 Q HA -0.197 4.143 4.340 -0.001 0.000 0.209 25 Q C 2.240 178.218 176.000 -0.037 0.000 0.996 25 Q CA 1.676 57.434 55.803 -0.074 0.000 0.859 25 Q CB -0.439 28.266 28.738 -0.055 0.000 0.920 25 Q HN 0.445 nan 8.270 nan 0.000 0.415 26 G N -0.125 108.676 108.800 0.003 0.000 2.421 26 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 26 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 26 G C 1.050 175.929 174.900 -0.034 0.000 1.171 26 G CA 0.604 45.697 45.100 -0.013 0.000 0.775 26 G HN 0.212 nan 8.290 nan 0.000 0.543 27 F N 1.087 120.998 119.950 -0.065 0.000 2.161 27 F HA -0.013 4.513 4.527 -0.001 0.000 0.300 27 F C 2.907 178.740 175.800 0.053 0.000 1.089 27 F CA 1.346 59.360 58.000 0.023 0.000 1.282 27 F CB -0.077 39.032 39.000 0.183 0.000 1.010 27 F HN 0.004 nan 8.300 nan 0.000 0.485 28 R N 0.053 120.605 120.500 0.088 0.000 2.237 28 R HA -0.123 4.217 4.340 -0.001 0.000 0.219 28 R C 1.833 178.165 176.300 0.053 0.000 1.080 28 R CA 1.009 57.160 56.100 0.086 0.000 0.995 28 R CB -0.383 29.901 30.300 -0.027 0.000 0.875 28 R HN 0.427 nan 8.270 nan 0.000 0.462 29 E N 0.147 120.337 120.200 -0.017 0.000 2.204 29 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 29 E C 1.487 178.036 176.600 -0.085 0.000 0.989 29 E CA 0.707 57.075 56.400 -0.052 0.000 0.824 29 E CB 0.208 29.857 29.700 -0.085 0.000 0.756 29 E HN 0.249 nan 8.360 nan 0.000 0.477 30 I N -1.080 119.403 120.570 -0.145 0.000 2.947 30 I HA -0.026 4.144 4.170 -0.001 0.000 0.263 30 I C 0.491 176.543 176.117 -0.108 0.000 1.130 30 I CA 0.592 61.723 61.300 -0.280 0.000 1.448 30 I CB -0.115 37.501 38.000 -0.641 0.000 1.222 30 I HN 0.135 nan 8.210 nan 0.000 0.453 31 W N 3.833 125.188 121.300 0.091 0.000 2.165 31 W HA 0.365 5.024 4.660 -0.000 0.000 0.288 31 W C -1.725 174.931 176.519 0.229 0.000 0.900 31 W CA -2.450 54.991 57.345 0.159 0.000 1.914 31 W CB -0.059 29.527 29.460 0.210 0.000 2.091 31 W HN 0.030 nan 8.180 nan 0.000 0.399 32 P HA -0.154 nan 4.420 nan 0.000 0.216 32 P C 0.691 178.151 177.300 0.267 0.000 1.150 32 P CA 1.775 65.023 63.100 0.246 0.000 0.837 32 P CB 0.534 32.320 31.700 0.144 0.000 0.786 33 D N -0.876 119.656 120.400 0.219 0.000 2.340 33 D HA 0.212 4.852 4.640 -0.001 0.000 0.217 33 D C 0.999 177.347 176.300 0.080 0.000 1.081 33 D CA -0.030 54.052 54.000 0.136 0.000 0.842 33 D CB 0.051 40.899 40.800 0.080 0.000 0.934 33 D HN 0.116 nan 8.370 nan 0.000 0.511 34 A N 0.723 123.597 122.820 0.090 0.000 2.366 34 A HA 0.107 4.426 4.320 -0.001 0.000 0.250 34 A C 0.222 177.677 177.584 -0.215 0.000 1.099 34 A CA -0.083 51.850 52.037 -0.174 0.000 0.794 34 A CB 0.438 19.216 19.000 -0.370 0.000 1.056 34 A HN -0.111 nan 8.150 nan 0.000 0.499 35 D N 0.543 120.756 120.400 -0.311 0.000 2.347 35 D HA 0.401 5.040 4.640 -0.001 0.000 0.235 35 D C -1.194 174.889 176.300 -0.361 0.000 1.149 35 D CA 0.761 54.629 54.000 -0.220 0.000 0.850 35 D CB 0.484 41.200 40.800 -0.139 0.000 1.061 35 D HN 0.372 nan 8.370 nan 0.000 0.487 36 Y N 1.312 121.610 120.300 -0.004 0.000 2.342 36 Y HA 0.424 4.973 4.550 -0.000 0.000 0.334 36 Y C 0.138 176.024 175.900 -0.023 0.000 1.067 36 Y CA -1.099 56.991 58.100 -0.017 0.000 1.128 36 Y CB 1.521 39.980 38.460 -0.003 0.000 1.200 36 Y HN 0.192 nan 8.280 nan 0.000 0.464 37 L N 4.382 125.671 121.223 0.110 0.000 2.404 37 L HA 0.498 4.838 4.340 -0.001 0.000 0.272 37 L C -1.352 175.546 176.870 0.047 0.000 0.980 37 L CA -1.132 53.742 54.840 0.057 0.000 0.836 37 L CB 1.186 43.254 42.059 0.016 0.000 1.238 37 L HN 0.512 nan 8.230 nan 0.000 0.408 38 K N 6.365 126.785 120.400 0.034 0.000 2.227 38 K HA 0.535 4.855 4.320 -0.001 0.000 0.280 38 K C -0.983 175.616 176.600 -0.002 0.000 1.041 38 K CA -0.356 55.935 56.287 0.007 0.000 0.905 38 K CB 1.398 33.893 32.500 -0.008 0.000 1.068 38 K HN 0.563 nan 8.250 nan 0.000 0.470 39 L N 5.691 126.909 121.223 -0.008 0.000 2.433 39 L HA 0.268 4.608 4.340 -0.001 0.000 0.256 39 L C -2.307 174.549 176.870 -0.024 0.000 1.063 39 L CA -2.191 52.640 54.840 -0.014 0.000 0.922 39 L CB 1.511 43.567 42.059 -0.005 0.000 1.238 39 L HN 0.372 nan 8.230 nan 0.000 0.466 40 P HA 0.082 nan 4.420 nan 0.000 0.264 40 P C -0.591 176.682 177.300 -0.045 0.000 1.193 40 P CA 0.365 63.440 63.100 -0.041 0.000 0.763 40 P CB 0.999 32.667 31.700 -0.052 0.000 0.810 41 L N 2.168 123.373 121.223 -0.031 0.000 2.298 41 L HA 0.888 5.228 4.340 -0.001 0.000 0.268 41 L C 0.354 177.209 176.870 -0.026 0.000 1.010 41 L CA -0.998 53.825 54.840 -0.030 0.000 0.812 41 L CB 1.859 43.912 42.059 -0.010 0.000 1.331 41 L HN 0.404 nan 8.230 nan 0.000 0.450 42 A N -0.140 122.664 122.820 -0.027 0.000 2.610 42 A HA 0.494 4.813 4.320 -0.001 0.000 0.291 42 A C -1.300 176.278 177.584 -0.010 0.000 1.086 42 A CA -0.475 51.552 52.037 -0.016 0.000 0.677 42 A CB 1.402 20.384 19.000 -0.029 0.000 1.278 42 A HN 0.767 nan 8.150 nan 0.000 0.414 43 D N -0.646 119.755 120.400 0.002 0.000 2.368 43 D HA 0.394 5.034 4.640 -0.001 0.000 0.218 43 D C 1.072 177.373 176.300 0.002 0.000 1.112 43 D CA 0.919 54.922 54.000 0.005 0.000 0.834 43 D CB 0.375 41.183 40.800 0.013 0.000 0.953 43 D HN 1.857 nan 8.370 nan 0.000 0.505 44 G N -1.001 107.797 108.800 -0.003 0.000 2.195 44 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.246 44 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.246 44 G C 0.727 175.628 174.900 0.001 0.000 0.984 44 G CA -0.009 45.090 45.100 -0.002 0.000 0.633 44 G HN 0.783 nan 8.290 nan 0.000 0.525 45 G N -0.367 108.437 108.800 0.007 0.000 2.504 45 G HA2 0.504 4.464 3.960 -0.001 0.000 0.257 45 G HA3 0.504 4.464 3.960 -0.001 0.000 0.257 45 G C 0.078 174.994 174.900 0.027 0.000 1.451 45 G CA 0.251 45.359 45.100 0.013 0.000 1.059 45 G HN 0.569 nan 8.290 nan 0.000 0.550 46 E N -0.521 119.701 120.200 0.037 0.000 2.608 46 E HA 0.261 4.610 4.350 -0.001 0.000 0.259 46 E C 1.272 177.903 176.600 0.053 0.000 0.951 46 E CA 1.166 57.600 56.400 0.056 0.000 0.945 46 E CB -0.086 29.647 29.700 0.055 0.000 0.916 46 E HN 1.067 nan 8.360 nan 0.000 0.477 47 G N 3.019 111.861 108.800 0.071 0.000 2.157 47 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.248 47 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.248 47 G C 0.890 175.807 174.900 0.028 0.000 0.979 47 G CA 0.524 45.653 45.100 0.049 0.000 0.650 47 G HN 0.618 nan 8.290 nan 0.000 0.529 48 T N 0.228 114.801 114.554 0.033 0.000 2.857 48 T HA 0.023 4.372 4.350 -0.001 0.000 0.266 48 T C 2.563 177.247 174.700 -0.027 0.000 1.048 48 T CA 1.572 63.665 62.100 -0.011 0.000 1.139 48 T CB -0.034 68.831 68.868 -0.006 0.000 0.874 48 T HN 0.293 nan 8.240 nan 0.000 0.455 49 V N 1.593 121.553 119.914 0.078 0.000 2.307 49 V HA -0.104 4.016 4.120 -0.001 0.000 0.245 49 V C 2.714 178.852 176.094 0.073 0.000 1.045 49 V CA 1.439 63.830 62.300 0.152 0.000 1.024 49 V CB -0.450 31.583 31.823 0.349 0.000 0.651 49 V HN 0.366 nan 8.190 nan 0.000 0.449 50 E N 0.288 120.523 120.200 0.057 0.000 2.106 50 E HA -0.035 4.314 4.350 -0.001 0.000 0.192 50 E C 1.327 177.891 176.600 -0.060 0.000 0.984 50 E CA 0.976 57.369 56.400 -0.012 0.000 0.806 50 E CB -0.261 29.419 29.700 -0.033 0.000 0.750 50 E HN 0.606 nan 8.360 nan 0.000 0.458 54 E N 1.565 121.737 120.200 -0.047 0.000 2.017 54 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 54 E C 2.141 178.722 176.600 -0.032 0.000 0.997 54 E CA 1.697 58.076 56.400 -0.036 0.000 0.804 54 E CB -0.262 29.410 29.700 -0.047 0.000 0.757 54 E HN 0.623 nan 8.360 nan 0.000 0.448 55 A N 0.854 123.637 122.820 -0.062 0.000 2.032 55 A HA -0.178 4.141 4.320 -0.001 0.000 0.221 55 A C 2.219 179.794 177.584 -0.014 0.000 1.165 55 A CA 2.039 54.046 52.037 -0.050 0.000 0.645 55 A CB -0.684 18.263 19.000 -0.089 0.000 0.807 55 A HN 0.403 nan 8.150 nan 0.000 0.453 56 T N -5.783 108.771 114.554 0.001 0.000 3.084 56 T HA 0.526 4.876 4.350 -0.001 0.000 0.270 56 T C 0.750 175.499 174.700 0.081 0.000 1.008 56 T CA 0.950 63.092 62.100 0.070 0.000 0.900 56 T CB 0.076 69.037 68.868 0.155 0.000 1.084 56 T HN 1.789 nan 8.240 nan 0.000 0.538 57 A N -0.040 122.810 122.820 0.051 0.000 2.832 57 A HA 0.038 4.358 4.320 -0.001 0.000 0.280 57 A C 1.084 178.703 177.584 0.059 0.000 1.464 57 A CA 0.984 53.047 52.037 0.044 0.000 0.804 57 A CB -2.125 16.899 19.000 0.040 0.000 1.020 57 A HN 1.161 nan 8.150 nan 0.000 0.563 58 G N -0.796 108.056 108.800 0.087 0.000 2.714 58 G HA2 0.741 4.700 3.960 -0.001 0.000 0.197 58 G HA3 0.741 4.700 3.960 -0.001 0.000 0.197 58 G C 0.049 174.987 174.900 0.063 0.000 1.449 58 G CA -0.152 45.009 45.100 0.101 0.000 1.065 58 G HN 1.464 nan 8.290 nan 0.000 0.575 59 R N -1.814 118.720 120.500 0.057 0.000 2.710 59 R HA 0.521 4.860 4.340 -0.001 0.000 0.270 59 R C -1.357 174.925 176.300 -0.030 0.000 1.021 59 R CA -0.952 55.151 56.100 0.004 0.000 0.889 59 R CB 1.202 31.491 30.300 -0.019 0.000 1.243 59 R HN 0.254 nan 8.270 nan 0.000 0.464 60 I N 2.321 122.843 120.570 -0.079 0.000 2.371 60 I HA 0.239 4.409 4.170 -0.001 0.000 0.290 60 I C -0.176 175.776 176.117 -0.275 0.000 1.028 60 I CA -0.731 60.469 61.300 -0.167 0.000 1.345 60 I CB 1.530 39.400 38.000 -0.218 0.000 1.407 60 I HN 0.405 nan 8.210 nan 0.000 0.501 61 V N 6.539 126.178 119.914 -0.457 0.000 2.384 61 V HA 0.291 4.410 4.120 -0.001 0.000 0.287 61 V C 0.174 176.020 176.094 -0.414 0.000 1.020 61 V CA -0.764 61.232 62.300 -0.507 0.000 0.850 61 V CB 1.218 32.490 31.823 -0.917 0.000 0.987 61 V HN 0.554 nan 8.190 nan 0.000 0.436 62 H N 3.006 122.018 119.070 -0.098 0.000 2.527 62 H HA 0.688 5.244 4.556 -0.000 0.000 0.321 62 H C -0.461 174.871 175.328 0.007 0.000 1.087 62 H CA -0.027 56.030 56.048 0.015 0.000 1.337 62 H CB 2.240 32.014 29.762 0.019 0.000 1.440 62 H HN 0.471 nan 8.280 nan 0.000 0.490 63 V N 3.226 123.250 119.914 0.183 0.000 3.087 63 V HA 0.167 4.287 4.120 -0.001 0.000 0.306 63 V C -0.784 175.387 176.094 0.128 0.000 1.187 63 V CA -0.770 61.585 62.300 0.091 0.000 0.999 63 V CB 2.730 34.520 31.823 -0.054 0.000 1.049 63 V HN 0.753 nan 8.190 nan 0.000 0.431 64 E N 2.558 122.818 120.200 0.101 0.000 2.249 64 E HA 0.580 4.929 4.350 -0.001 0.000 0.280 64 E C -0.858 175.834 176.600 0.154 0.000 1.016 64 E CA -0.117 56.354 56.400 0.119 0.000 0.830 64 E CB 1.953 31.707 29.700 0.090 0.000 1.081 64 E HN 0.755 nan 8.360 nan 0.000 0.395 65 V N -0.223 119.780 119.914 0.148 0.000 3.181 65 V HA 0.490 4.609 4.120 -0.001 0.000 0.308 65 V C -0.163 176.009 176.094 0.131 0.000 1.214 65 V CA -0.957 61.442 62.300 0.165 0.000 1.053 65 V CB 1.779 33.701 31.823 0.164 0.000 1.069 65 V HN 0.514 nan 8.190 nan 0.000 0.441 66 T N 2.499 117.142 114.554 0.148 0.000 2.752 66 T HA 0.524 4.873 4.350 -0.001 0.000 0.295 66 T C 0.648 175.398 174.700 0.083 0.000 0.923 66 T CA 0.692 62.844 62.100 0.086 0.000 1.112 66 T CB 0.414 69.302 68.868 0.033 0.000 0.884 66 T HN 1.312 nan 8.240 nan 0.000 0.525 67 G N 3.989 112.820 108.800 0.052 0.000 2.683 67 G HA2 0.280 4.239 3.960 -0.001 0.000 0.260 67 G HA3 0.280 4.239 3.960 -0.001 0.000 0.260 67 G C -1.309 173.597 174.900 0.010 0.000 1.238 67 G CA -1.333 43.794 45.100 0.045 0.000 0.934 67 G HN 0.383 nan 8.290 nan 0.000 0.534 68 P HA -0.027 nan 4.420 nan 0.000 0.220 68 P C 1.277 178.546 177.300 -0.051 0.000 1.148 68 P CA 0.885 63.981 63.100 -0.006 0.000 0.803 68 P CB 0.189 31.892 31.700 0.006 0.000 0.782 69 L N -1.945 119.222 121.223 -0.094 0.000 2.741 69 L HA 0.375 4.714 4.340 -0.001 0.000 0.237 69 L C 1.391 177.991 176.870 -0.451 0.000 1.178 69 L CA 0.423 55.144 54.840 -0.198 0.000 0.973 69 L CB -0.577 41.413 42.059 -0.115 0.000 1.255 69 L HN 0.118 nan 8.230 nan 0.000 0.498 70 G N -0.946 107.654 108.800 -0.332 0.000 2.195 70 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.246 70 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.246 70 G C 0.181 174.908 174.900 -0.288 0.000 0.984 70 G CA -0.059 44.837 45.100 -0.339 0.000 0.633 70 G HN 0.506 nan 8.290 nan 0.000 0.525 71 H N 0.277 119.333 119.070 -0.024 0.000 2.509 71 H HA 0.655 5.211 4.556 -0.000 0.000 0.359 71 H C 0.748 176.077 175.328 0.002 0.000 1.253 71 H CA -0.739 55.300 56.048 -0.015 0.000 1.373 71 H CB 0.506 30.264 29.762 -0.006 0.000 1.555 71 H HN -0.001 nan 8.280 nan 0.000 0.586 72 R N 1.537 122.127 120.500 0.149 0.000 2.389 72 R HA 0.195 4.534 4.340 -0.001 0.000 0.295 72 R C -0.715 175.643 176.300 0.096 0.000 1.075 72 R CA -0.270 55.887 56.100 0.095 0.000 1.005 72 R CB 0.728 31.070 30.300 0.070 0.000 0.987 72 R HN 0.493 nan 8.270 nan 0.000 0.452 73 V N 0.139 120.110 119.914 0.095 0.000 2.962 73 V HA 0.433 4.553 4.120 -0.001 0.000 0.313 73 V C -0.351 175.809 176.094 0.109 0.000 1.099 73 V CA -1.234 61.124 62.300 0.096 0.000 0.971 73 V CB 2.411 34.293 31.823 0.098 0.000 1.028 73 V HN 0.674 nan 8.190 nan 0.000 0.430 74 N N 2.530 121.299 118.700 0.115 0.000 2.439 74 N HA 0.685 5.425 4.740 -0.001 0.000 0.243 74 N C 0.084 175.733 175.510 0.232 0.000 1.088 74 N CA 0.399 53.539 53.050 0.150 0.000 0.940 74 N CB 1.067 39.617 38.487 0.105 0.000 1.180 74 N HN 1.181 nan 8.380 nan 0.000 0.505 75 A N 2.555 125.513 122.820 0.230 0.000 2.274 75 A HA 0.796 5.116 4.320 -0.001 0.000 0.297 75 A C -0.589 177.212 177.584 0.361 0.000 1.191 75 A CA -0.349 51.825 52.037 0.229 0.000 0.889 75 A CB 0.318 19.376 19.000 0.097 0.000 1.294 75 A HN 0.666 nan 8.150 nan 0.000 0.506 76 F N -3.676 116.341 119.950 0.112 0.000 2.711 76 F HA 0.771 5.298 4.527 -0.000 0.000 0.313 76 F C -0.997 174.875 175.800 0.120 0.000 1.141 76 F CA -1.279 56.713 58.000 -0.013 0.000 0.941 76 F CB 1.022 39.871 39.000 -0.252 0.000 1.349 76 F HN 0.906 nan 8.300 nan 0.000 0.464 77 Y N -0.806 119.529 120.300 0.059 0.000 2.705 77 Y HA 0.913 5.463 4.550 -0.001 0.000 0.332 77 Y C -0.923 175.053 175.900 0.126 0.000 1.221 77 Y CA -1.908 56.203 58.100 0.019 0.000 1.059 77 Y CB 1.230 39.657 38.460 -0.054 0.000 1.298 77 Y HN 1.013 nan 8.280 nan 0.000 0.459 78 G N 1.384 110.343 108.800 0.265 0.000 2.495 78 G HA2 0.647 4.607 3.960 -0.001 0.000 0.318 78 G HA3 0.647 4.607 3.960 -0.001 0.000 0.318 78 G C -1.952 173.008 174.900 0.101 0.000 1.257 78 G CA -1.034 44.199 45.100 0.221 0.000 0.962 78 G HN 0.735 nan 8.290 nan 0.000 0.483 79 L N 1.364 122.607 121.223 0.033 0.000 2.334 79 L HA 0.515 4.854 4.340 -0.001 0.000 0.273 79 L C 1.063 177.961 176.870 0.047 0.000 1.013 79 L CA -0.911 53.890 54.840 -0.065 0.000 0.816 79 L CB 2.213 44.270 42.059 -0.004 0.000 1.278 79 L HN 0.721 nan 8.230 nan 0.000 0.431 80 S N 0.523 116.208 115.700 -0.026 0.000 2.624 80 S HA 0.183 4.653 4.470 -0.001 0.000 0.263 80 S C 1.167 175.838 174.600 0.118 0.000 1.287 80 S CA -0.094 58.218 58.200 0.187 0.000 0.990 80 S CB 1.303 64.613 63.200 0.184 0.000 0.950 80 S HN 0.794 nan 8.310 nan 0.000 0.561 81 G N 0.861 109.738 108.800 0.128 0.000 2.422 81 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 81 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 81 G C 0.948 175.887 174.900 0.064 0.000 1.146 81 G CA 0.907 46.057 45.100 0.083 0.000 0.769 81 G HN 0.919 nan 8.290 nan 0.000 0.547 82 D N 0.165 120.609 120.400 0.072 0.000 2.349 82 D HA 0.230 4.869 4.640 -0.001 0.000 0.224 82 D C 1.584 177.909 176.300 0.042 0.000 1.029 82 D CA 0.764 54.798 54.000 0.057 0.000 0.879 82 D CB -0.431 40.408 40.800 0.066 0.000 0.906 82 D HN 0.629 nan 8.370 nan 0.000 0.528 83 A N 0.509 123.351 122.820 0.036 0.000 2.826 83 A HA -0.307 4.013 4.320 -0.001 0.000 0.274 83 A C 1.417 179.005 177.584 0.006 0.000 1.443 83 A CA 1.299 53.345 52.037 0.015 0.000 0.833 83 A CB -2.398 16.614 19.000 0.020 0.000 1.023 83 A HN 0.467 nan 8.150 nan 0.000 0.600 84 R N -0.851 119.657 120.500 0.015 0.000 2.335 84 R HA 0.248 4.587 4.340 -0.001 0.000 0.210 84 R C 0.050 176.355 176.300 0.009 0.000 0.892 84 R CA 0.781 56.896 56.100 0.026 0.000 1.048 84 R CB 0.496 30.831 30.300 0.060 0.000 1.067 84 R HN 0.418 nan 8.270 nan 0.000 0.524 85 S N 0.120 115.775 115.700 -0.075 0.000 2.536 85 S HA 0.671 5.140 4.470 -0.001 0.000 0.287 85 S C -1.049 173.203 174.600 -0.581 0.000 1.101 85 S CA -0.712 57.343 58.200 -0.243 0.000 0.950 85 S CB 2.277 65.406 63.200 -0.117 0.000 1.056 85 S HN 0.284 nan 8.310 nan 0.000 0.481 86 A N 2.196 124.647 122.820 -0.615 0.000 2.337 86 A HA 0.877 5.196 4.320 -0.001 0.000 0.329 86 A C -1.366 175.764 177.584 -0.757 0.000 1.146 86 A CA -0.542 51.113 52.037 -0.635 0.000 0.800 86 A CB 0.333 19.160 19.000 -0.290 0.000 1.220 86 A HN 0.603 nan 8.150 nan 0.000 0.472 87 F N 1.635 121.589 119.950 0.006 0.000 2.449 87 F HA 0.618 5.145 4.527 -0.001 0.000 0.342 87 F C -0.170 175.633 175.800 0.006 0.000 1.127 87 F CA -0.823 57.163 58.000 -0.023 0.000 0.975 87 F CB 1.255 40.254 39.000 -0.001 0.000 1.146 87 F HN 0.281 nan 8.300 nan 0.000 0.444 88 I N 2.700 123.319 120.570 0.082 0.000 2.465 88 I HA 0.398 4.567 4.170 -0.001 0.000 0.291 88 I C -0.233 175.865 176.117 -0.032 0.000 1.014 88 I CA -0.604 60.690 61.300 -0.009 0.000 1.093 88 I CB 2.083 40.033 38.000 -0.085 0.000 1.267 88 I HN 0.606 nan 8.210 nan 0.000 0.431 92 A N 0.618 123.382 122.820 -0.092 0.000 1.917 92 A HA 0.176 4.496 4.320 -0.001 0.000 0.219 92 A C 2.305 179.871 177.584 -0.030 0.000 1.182 92 A CA 2.912 54.877 52.037 -0.120 0.000 0.633 92 A CB -0.780 17.879 19.000 -0.567 0.000 0.819 92 A HN 1.612 nan 8.150 nan 0.000 0.448 93 A N -1.936 120.857 122.820 -0.046 0.000 1.901 93 A HA 0.271 4.590 4.320 -0.001 0.000 0.210 93 A C 1.774 179.370 177.584 0.020 0.000 1.208 93 A CA 1.445 53.484 52.037 0.004 0.000 0.644 93 A CB 0.013 19.010 19.000 -0.005 0.000 0.863 93 A HN 0.496 nan 8.150 nan 0.000 0.454 94 S N -0.178 115.523 115.700 0.002 0.000 2.843 94 S HA 0.422 4.891 4.470 -0.001 0.000 0.249 94 S C 0.542 175.144 174.600 0.003 0.000 1.047 94 S CA -0.018 58.185 58.200 0.006 0.000 1.042 94 S CB 0.528 63.725 63.200 -0.004 0.000 0.936 94 S HN 0.683 nan 8.310 nan 0.000 0.531 95 G N 0.715 109.522 108.800 0.011 0.000 2.476 95 G HA2 0.491 4.451 3.960 -0.001 0.000 0.286 95 G HA3 0.491 4.451 3.960 -0.001 0.000 0.286 95 G C 0.628 175.542 174.900 0.024 0.000 1.177 95 G CA -0.585 44.523 45.100 0.014 0.000 0.870 95 G HN 0.226 nan 8.290 nan 0.000 0.528 96 L N 0.350 121.587 121.223 0.023 0.000 2.187 96 L HA -0.085 4.255 4.340 -0.001 0.000 0.213 96 L C 2.729 179.621 176.870 0.037 0.000 1.100 96 L CA 1.983 56.840 54.840 0.029 0.000 0.765 96 L CB -0.450 41.627 42.059 0.029 0.000 0.904 96 L HN 0.785 nan 8.230 nan 0.000 0.437 97 E N -1.907 118.319 120.200 0.042 0.000 2.268 97 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 97 E C 1.724 178.356 176.600 0.053 0.000 0.995 97 E CA 0.711 57.140 56.400 0.049 0.000 0.836 97 E CB -0.523 29.213 29.700 0.060 0.000 0.763 97 E HN 0.440 nan 8.360 nan 0.000 0.491 98 Q N 0.360 120.192 119.800 0.053 0.000 2.451 98 Q HA 0.126 4.465 4.340 -0.001 0.000 0.206 98 Q C -0.151 175.882 176.000 0.056 0.000 0.947 98 Q CA 0.307 56.145 55.803 0.058 0.000 0.937 98 Q CB 0.807 29.581 28.738 0.060 0.000 1.025 98 Q HN 0.192 nan 8.270 nan 0.000 0.511 99 V N 3.257 123.199 119.914 0.047 0.000 2.326 99 V HA 0.255 4.375 4.120 -0.001 0.000 0.281 99 V C -2.254 173.863 176.094 0.039 0.000 1.015 99 V CA -1.937 60.390 62.300 0.044 0.000 0.823 99 V CB 1.293 33.137 31.823 0.035 0.000 1.009 99 V HN -0.013 nan 8.190 nan 0.000 0.436 100 P HA 0.093 nan 4.420 nan 0.000 0.266 100 P C -1.989 175.328 177.300 0.028 0.000 1.193 100 P CA -0.838 62.281 63.100 0.032 0.000 0.770 100 P CB 0.174 31.891 31.700 0.029 0.000 0.836 101 P HA -0.248 nan 4.420 nan 0.000 0.216 101 P C 1.250 178.562 177.300 0.020 0.000 1.153 101 P CA 2.095 65.208 63.100 0.023 0.000 0.858 101 P CB -0.353 31.360 31.700 0.021 0.000 0.789 102 A N -0.812 122.019 122.820 0.019 0.000 1.978 102 A HA -0.224 4.096 4.320 -0.001 0.000 0.220 102 A C 1.967 179.562 177.584 0.019 0.000 1.170 102 A CA 1.683 53.731 52.037 0.017 0.000 0.636 102 A CB -1.153 17.856 19.000 0.015 0.000 0.810 102 A HN 0.159 nan 8.150 nan 0.000 0.448 103 Q N -0.645 119.169 119.800 0.024 0.000 2.246 103 Q HA 0.210 4.549 4.340 -0.001 0.000 0.202 103 Q C -0.016 175.998 176.000 0.024 0.000 0.883 103 Q CA 0.014 55.833 55.803 0.027 0.000 0.952 103 Q CB 0.180 28.942 28.738 0.040 0.000 1.078 103 Q HN 0.505 nan 8.270 nan 0.000 0.493 104 R N 1.429 121.941 120.500 0.021 0.000 2.345 104 R HA 0.072 4.412 4.340 -0.001 0.000 0.331 104 R C -0.707 175.601 176.300 0.014 0.000 1.067 104 R CA 0.235 56.346 56.100 0.019 0.000 0.962 104 R CB 0.183 30.495 30.300 0.021 0.000 0.987 104 R HN -0.050 nan 8.270 nan 0.000 0.451 105 D N 4.431 124.836 120.400 0.009 0.000 2.421 105 D HA 0.203 4.843 4.640 -0.001 0.000 0.254 105 D C -2.014 174.285 176.300 -0.001 0.000 1.238 105 D CA -2.383 51.619 54.000 0.003 0.000 0.919 105 D CB 1.835 42.635 40.800 0.000 0.000 1.152 105 D HN 0.158 nan 8.370 nan 0.000 0.552 106 P HA 0.020 nan 4.420 nan 0.000 0.234 106 P C 1.539 178.832 177.300 -0.011 0.000 1.167 106 P CA 0.395 63.495 63.100 -0.000 0.000 0.763 106 P CB 0.415 32.121 31.700 0.009 0.000 0.835 107 L N -0.976 120.240 121.223 -0.013 0.000 2.240 107 L HA -0.036 4.304 4.340 -0.001 0.000 0.211 107 L C 2.172 179.026 176.870 -0.027 0.000 1.106 107 L CA 1.191 56.020 54.840 -0.019 0.000 0.793 107 L CB -0.409 41.641 42.059 -0.015 0.000 0.927 107 L HN -0.065 nan 8.230 nan 0.000 0.446 108 K N -0.597 119.788 120.400 -0.025 0.000 2.335 108 K HA 0.111 4.431 4.320 -0.001 0.000 0.195 108 K C 0.827 177.403 176.600 -0.040 0.000 1.058 108 K CA 0.330 56.596 56.287 -0.035 0.000 0.988 108 K CB 0.094 32.573 32.500 -0.035 0.000 0.880 108 K HN 0.287 nan 8.250 nan 0.000 0.513 109 T N 1.808 116.345 114.554 -0.030 0.000 2.888 109 T HA 0.177 4.527 4.350 -0.001 0.000 0.301 109 T C 0.293 174.979 174.700 -0.024 0.000 1.001 109 T CA -0.279 61.805 62.100 -0.027 0.000 1.147 109 T CB 0.641 69.501 68.868 -0.013 0.000 0.931 109 T HN 0.013 nan 8.240 nan 0.000 0.541 110 T N 1.084 115.630 114.554 -0.015 0.000 2.888 110 T HA 0.473 4.823 4.350 -0.001 0.000 0.284 110 T C 1.158 175.879 174.700 0.035 0.000 1.017 110 T CA -0.888 61.223 62.100 0.018 0.000 1.022 110 T CB 1.647 70.553 68.868 0.064 0.000 1.013 110 T HN 0.701 nan 8.240 nan 0.000 0.465 111 S N 0.500 116.219 115.700 0.032 0.000 2.605 111 S HA 0.009 4.478 4.470 -0.001 0.000 0.217 111 S C 1.379 176.001 174.600 0.037 0.000 0.958 111 S CA -0.838 57.368 58.200 0.009 0.000 0.919 111 S CB -0.405 62.768 63.200 -0.045 0.000 0.780 111 S HN 0.782 nan 8.310 nan 0.000 0.507 112 W N 2.967 124.218 121.300 -0.082 0.000 2.302 112 W HA -0.233 4.427 4.660 -0.001 0.000 0.320 112 W C 2.028 178.505 176.519 -0.071 0.000 1.241 112 W CA 2.117 59.415 57.345 -0.079 0.000 1.264 112 W CB -1.136 28.282 29.460 -0.069 0.000 1.154 112 W HN 0.475 nan 8.180 nan 0.000 0.483 113 G N -0.069 108.869 108.800 0.229 0.000 2.503 113 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.221 113 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.221 113 G C 1.443 176.349 174.900 0.010 0.000 1.131 113 G CA 1.977 47.153 45.100 0.127 0.000 0.756 113 G HN 0.336 nan 8.290 nan 0.000 0.572 114 T N 0.782 115.311 114.554 -0.041 0.000 2.777 114 T HA -0.004 4.346 4.350 -0.001 0.000 0.266 114 T C 2.512 177.117 174.700 -0.158 0.000 1.040 114 T CA 1.360 63.403 62.100 -0.095 0.000 1.141 114 T CB -0.540 68.274 68.868 -0.091 0.000 0.868 114 T HN 0.380 nan 8.240 nan 0.000 0.444 115 G N 1.532 110.198 108.800 -0.222 0.000 2.442 115 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.219 115 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.219 115 G C 1.452 176.166 174.900 -0.310 0.000 1.141 115 G CA 0.693 45.608 45.100 -0.308 0.000 0.763 115 G HN 0.532 nan 8.290 nan 0.000 0.554 116 E N -0.081 119.960 120.200 -0.265 0.000 2.031 116 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 116 E C 2.513 178.918 176.600 -0.326 0.000 0.994 116 E CA 0.678 56.910 56.400 -0.279 0.000 0.800 116 E CB -0.279 29.393 29.700 -0.048 0.000 0.752 116 E HN 0.216 nan 8.360 nan 0.000 0.447 117 L N 1.185 122.332 121.223 -0.127 0.000 1.997 117 L HA -0.236 4.103 4.340 -0.001 0.000 0.216 117 L C 2.366 179.042 176.870 -0.323 0.000 1.074 117 L CA 1.609 56.359 54.840 -0.150 0.000 0.763 117 L CB -0.770 41.216 42.059 -0.122 0.000 0.890 117 L HN 0.197 nan 8.230 nan 0.000 0.434 118 I N -1.351 119.056 120.570 -0.272 0.000 2.286 118 I HA -0.323 3.846 4.170 -0.001 0.000 0.248 118 I C 2.711 178.665 176.117 -0.271 0.000 1.115 118 I CA 1.115 62.260 61.300 -0.259 0.000 1.392 118 I CB -0.304 37.573 38.000 -0.204 0.000 1.065 118 I HN 0.283 nan 8.210 nan 0.000 0.418 119 R N 0.182 120.492 120.500 -0.317 0.000 2.081 119 R HA -0.183 4.156 4.340 -0.001 0.000 0.235 119 R C 2.480 178.611 176.300 -0.283 0.000 1.131 119 R CA 1.464 57.378 56.100 -0.310 0.000 0.960 119 R CB -0.207 29.869 30.300 -0.373 0.000 0.856 119 R HN 0.404 nan 8.270 nan 0.000 0.436 120 H N -0.239 118.698 119.070 -0.222 0.000 2.389 120 H HA -0.021 4.535 4.556 -0.001 0.000 0.299 120 H C 1.942 177.090 175.328 -0.301 0.000 1.081 120 H CA 1.427 57.342 56.048 -0.222 0.000 1.345 120 H CB -0.270 29.352 29.762 -0.233 0.000 1.393 120 H HN 0.399 nan 8.280 nan 0.000 0.520 121 A N 1.223 123.817 122.820 -0.376 0.000 1.898 121 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 121 A C 2.688 180.188 177.584 -0.141 0.000 1.181 121 A CA 0.867 52.719 52.037 -0.309 0.000 0.620 121 A CB -0.843 17.934 19.000 -0.372 0.000 0.819 121 A HN 0.268 nan 8.150 nan 0.000 0.442 122 L N -0.445 120.695 121.223 -0.139 0.000 2.083 122 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 122 L C 1.875 178.716 176.870 -0.048 0.000 1.083 122 L CA 1.316 56.104 54.840 -0.087 0.000 0.752 122 L CB -0.634 41.369 42.059 -0.093 0.000 0.899 122 L HN 0.294 nan 8.230 nan 0.000 0.433 123 D N 0.285 120.663 120.400 -0.036 0.000 2.218 123 D HA -0.114 4.525 4.640 -0.001 0.000 0.204 123 D C 1.809 178.127 176.300 0.030 0.000 0.976 123 D CA 1.265 55.272 54.000 0.011 0.000 0.853 123 D CB 0.143 40.979 40.800 0.060 0.000 0.939 123 D HN 0.305 nan 8.370 nan 0.000 0.481 124 A N -0.446 122.392 122.820 0.031 0.000 2.370 124 A HA 0.450 4.770 4.320 -0.001 0.000 0.238 124 A C 1.603 179.198 177.584 0.018 0.000 1.289 124 A CA 0.648 52.709 52.037 0.041 0.000 0.885 124 A CB -0.332 18.713 19.000 0.076 0.000 0.961 124 A HN 0.165 nan 8.150 nan 0.000 0.499 125 G N -0.059 108.743 108.800 0.004 0.000 2.258 125 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.274 125 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.274 125 G C 0.504 175.404 174.900 -0.001 0.000 1.021 125 G CA 0.613 45.714 45.100 0.002 0.000 0.798 125 G HN 1.803 nan 8.290 nan 0.000 0.507 126 V N -3.076 116.828 119.914 -0.015 0.000 2.872 126 V HA 0.555 4.674 4.120 -0.001 0.000 0.307 126 V C 1.119 177.214 176.094 0.003 0.000 1.072 126 V CA 0.926 63.213 62.300 -0.022 0.000 1.148 126 V CB 1.153 32.930 31.823 -0.076 0.000 0.954 126 V HN 0.254 nan 8.190 nan 0.000 0.490 127 E N 0.589 120.812 120.200 0.039 0.000 2.452 127 E HA 0.208 4.558 4.350 -0.001 0.000 0.197 127 E C 0.307 176.996 176.600 0.148 0.000 1.022 127 E CA 0.547 56.994 56.400 0.078 0.000 0.890 127 E CB 0.118 29.868 29.700 0.083 0.000 0.918 127 E HN 0.907 nan 8.360 nan 0.000 0.496 128 H N -0.333 118.721 119.070 -0.027 0.000 2.856 128 H HA 0.439 4.994 4.556 -0.001 0.000 0.355 128 H C -1.240 174.016 175.328 -0.121 0.000 1.079 128 H CA -0.671 55.340 56.048 -0.062 0.000 1.240 128 H CB 0.908 30.644 29.762 -0.043 0.000 1.701 128 H HN -0.086 nan 8.280 nan 0.000 0.527 129 I N 6.612 126.979 120.570 -0.338 0.000 2.465 129 I HA 0.288 4.458 4.170 -0.001 0.000 0.291 129 I C -0.426 175.441 176.117 -0.417 0.000 1.014 129 I CA -0.777 60.305 61.300 -0.363 0.000 1.093 129 I CB 2.246 40.129 38.000 -0.195 0.000 1.267 129 I HN 0.430 nan 8.210 nan 0.000 0.431 130 I N 7.047 127.426 120.570 -0.319 0.000 2.362 130 I HA 0.455 4.625 4.170 -0.001 0.000 0.289 130 I C -0.630 175.460 176.117 -0.046 0.000 0.994 130 I CA -0.424 60.794 61.300 -0.138 0.000 1.158 130 I CB 1.555 39.563 38.000 0.013 0.000 1.315 130 I HN 0.362 nan 8.210 nan 0.000 0.451 131 I N 5.231 125.775 120.570 -0.043 0.000 2.498 131 I HA 0.550 4.720 4.170 -0.001 0.000 0.290 131 I C 0.364 176.469 176.117 -0.021 0.000 1.032 131 I CA -0.423 60.855 61.300 -0.035 0.000 1.073 131 I CB 2.045 40.013 38.000 -0.054 0.000 1.251 131 I HN 0.556 nan 8.210 nan 0.000 0.426 132 G N 5.156 113.945 108.800 -0.019 0.000 2.388 132 G HA2 0.672 4.632 3.960 -0.001 0.000 0.330 132 G HA3 0.672 4.632 3.960 -0.001 0.000 0.330 132 G C 0.039 174.917 174.900 -0.036 0.000 1.142 132 G CA -0.456 44.632 45.100 -0.021 0.000 0.908 132 G HN 0.809 nan 8.290 nan 0.000 0.473 133 I N 0.328 120.871 120.570 -0.044 0.000 3.621 133 I HA 0.409 4.579 4.170 -0.001 0.000 0.325 133 I C 0.715 176.787 176.117 -0.075 0.000 1.554 133 I CA -0.748 60.517 61.300 -0.059 0.000 1.053 133 I CB 0.697 38.660 38.000 -0.060 0.000 1.302 133 I HN 0.420 nan 8.210 nan 0.000 0.518 134 G N 0.717 109.481 108.800 -0.060 0.000 2.527 134 G HA2 0.408 4.368 3.960 -0.001 0.000 0.248 134 G HA3 0.408 4.368 3.960 -0.001 0.000 0.248 134 G C 0.916 175.790 174.900 -0.044 0.000 1.231 134 G CA 0.228 45.291 45.100 -0.062 0.000 0.838 134 G HN 0.899 nan 8.290 nan 0.000 0.570 135 G N -0.313 108.462 108.800 -0.042 0.000 2.246 135 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.273 135 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.273 135 G C 0.552 175.443 174.900 -0.014 0.000 1.055 135 G CA 0.618 45.710 45.100 -0.014 0.000 0.851 135 G HN 1.809 nan 8.290 nan 0.000 0.500 136 S N -1.140 114.540 115.700 -0.034 0.000 2.580 136 S HA 0.719 5.188 4.470 -0.001 0.000 0.274 136 S C 1.329 175.926 174.600 -0.005 0.000 1.329 136 S CA 0.426 58.610 58.200 -0.027 0.000 1.036 136 S CB 2.104 65.275 63.200 -0.047 0.000 0.919 136 S HN 1.663 nan 8.310 nan 0.000 0.515 137 A N 1.931 124.752 122.820 0.001 0.000 2.267 137 A HA 0.303 4.622 4.320 -0.001 0.000 0.213 137 A C 1.191 178.779 177.584 0.006 0.000 1.192 137 A CA 0.444 52.487 52.037 0.010 0.000 0.851 137 A CB -0.674 18.333 19.000 0.013 0.000 0.881 137 A HN 0.996 nan 8.150 nan 0.000 0.494 138 T N -2.819 111.733 114.554 -0.003 0.000 2.929 138 T HA 0.521 4.871 4.350 -0.001 0.000 0.284 138 T C -0.271 174.425 174.700 -0.006 0.000 1.014 138 T CA -0.550 61.544 62.100 -0.010 0.000 1.051 138 T CB 1.438 70.294 68.868 -0.020 0.000 1.028 138 T HN 0.160 nan 8.240 nan 0.000 0.485 139 N N 0.325 119.018 118.700 -0.012 0.000 2.588 139 N HA 0.156 4.895 4.740 -0.001 0.000 0.298 139 N C -0.098 175.387 175.510 -0.043 0.000 1.718 139 N CA -0.282 52.764 53.050 -0.008 0.000 0.888 139 N CB 0.458 38.951 38.487 0.009 0.000 1.389 139 N HN 0.760 nan 8.380 nan 0.000 0.491 140 D N -0.746 119.612 120.400 -0.070 0.000 2.424 140 D HA 0.182 4.822 4.640 -0.001 0.000 0.220 140 D C 1.122 177.285 176.300 -0.229 0.000 1.150 140 D CA 0.017 53.935 54.000 -0.137 0.000 0.831 140 D CB -0.219 40.515 40.800 -0.110 0.000 0.981 140 D HN 0.217 nan 8.370 nan 0.000 0.500 141 G N 0.280 108.998 108.800 -0.136 0.000 2.203 141 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.263 141 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.263 141 G C 1.225 176.123 174.900 -0.003 0.000 1.012 141 G CA 0.503 45.567 45.100 -0.059 0.000 0.749 141 G HN 1.383 nan 8.290 nan 0.000 0.512 142 G N -1.563 107.196 108.800 -0.069 0.000 2.155 142 G HA2 0.046 4.006 3.960 -0.001 0.000 0.257 142 G HA3 0.046 4.006 3.960 -0.001 0.000 0.257 142 G C 1.564 176.356 174.900 -0.180 0.000 0.983 142 G CA 1.343 46.385 45.100 -0.096 0.000 0.676 142 G HN 2.081 nan 8.290 nan 0.000 0.528 143 A N 0.037 122.729 122.820 -0.213 0.000 1.898 143 A HA 0.447 4.766 4.320 -0.001 0.000 0.216 143 A C 2.234 179.726 177.584 -0.153 0.000 1.181 143 A CA 2.084 53.982 52.037 -0.231 0.000 0.620 143 A CB -0.727 18.084 19.000 -0.315 0.000 0.819 143 A HN 1.921 nan 8.150 nan 0.000 0.442 147 Q N 1.610 121.161 119.800 -0.415 0.000 2.124 147 Q HA 0.036 4.376 4.340 -0.001 0.000 0.202 147 Q C 2.307 177.804 176.000 -0.838 0.000 0.977 147 Q CA 2.463 58.023 55.803 -0.404 0.000 0.850 147 Q CB -0.245 28.414 28.738 -0.132 0.000 0.901 147 Q HN 0.893 nan 8.270 nan 0.000 0.429 148 A N 0.412 122.396 122.820 -1.393 0.000 2.067 148 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 148 A C 1.691 178.897 177.584 -0.630 0.000 1.158 148 A CA 0.827 52.002 52.037 -1.437 0.000 0.661 148 A CB -0.200 17.811 19.000 -1.650 0.000 0.801 148 A HN 0.284 nan 8.150 nan 0.000 0.452 149 L N -1.315 119.627 121.223 -0.468 0.000 2.629 149 L HA 0.281 4.620 4.340 -0.001 0.000 0.230 149 L C 1.570 178.333 176.870 -0.178 0.000 1.151 149 L CA 0.529 55.203 54.840 -0.276 0.000 0.924 149 L CB 0.098 42.020 42.059 -0.228 0.000 1.137 149 L HN 0.542 nan 8.230 nan 0.000 0.457 150 G N -0.382 108.308 108.800 -0.183 0.000 2.213 150 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.236 150 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.236 150 G C 0.494 175.375 174.900 -0.033 0.000 0.991 150 G CA -0.133 44.917 45.100 -0.082 0.000 0.629 150 G HN 0.466 nan 8.290 nan 0.000 0.517 151 A N 0.828 123.628 122.820 -0.034 0.000 2.511 151 A HA 0.580 4.900 4.320 -0.001 0.000 0.242 151 A C 0.660 178.271 177.584 0.045 0.000 1.069 151 A CA 0.386 52.456 52.037 0.055 0.000 0.763 151 A CB 0.224 19.296 19.000 0.120 0.000 1.001 151 A HN 0.344 nan 8.150 nan 0.000 0.498 152 R N 1.803 122.352 120.500 0.082 0.000 2.229 152 R HA 0.487 4.827 4.340 -0.001 0.000 0.332 152 R C -1.599 174.762 176.300 0.101 0.000 0.989 152 R CA -0.558 55.588 56.100 0.078 0.000 0.842 152 R CB 0.780 31.119 30.300 0.064 0.000 1.119 152 R HN 0.508 nan 8.270 nan 0.000 0.456 153 L N 4.837 126.119 121.223 0.098 0.000 2.372 153 L HA 0.520 4.860 4.340 -0.001 0.000 0.273 153 L C 0.101 177.022 176.870 0.086 0.000 0.989 153 L CA -0.259 54.649 54.840 0.113 0.000 0.841 153 L CB 1.193 43.323 42.059 0.118 0.000 1.225 153 L HN 0.518 nan 8.230 nan 0.000 0.414 154 R N 0.231 120.777 120.500 0.077 0.000 2.799 154 R HA 0.735 5.075 4.340 -0.001 0.000 0.270 154 R C -1.094 175.236 176.300 0.050 0.000 1.010 154 R CA -1.009 55.126 56.100 0.057 0.000 0.916 154 R CB 1.504 31.834 30.300 0.050 0.000 1.228 154 R HN 0.438 nan 8.270 nan 0.000 0.469 155 D N 1.234 121.656 120.400 0.038 0.000 2.315 155 D HA 0.136 4.775 4.640 -0.001 0.000 0.275 155 D C 1.054 177.372 176.300 0.029 0.000 1.218 155 D CA -0.026 53.993 54.000 0.032 0.000 1.040 155 D CB 0.043 40.857 40.800 0.023 0.000 1.123 155 D HN 0.552 nan 8.370 nan 0.000 0.541 156 A N -1.449 121.386 122.820 0.024 0.000 2.119 156 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 156 A C 1.531 179.127 177.584 0.019 0.000 1.153 156 A CA 0.895 52.945 52.037 0.022 0.000 0.692 156 A CB -0.488 18.523 19.000 0.019 0.000 0.799 156 A HN 0.471 nan 8.150 nan 0.000 0.458 157 Q N -1.371 118.440 119.800 0.018 0.000 2.219 157 Q HA 0.288 4.628 4.340 -0.001 0.000 0.209 157 Q C 0.971 176.981 176.000 0.018 0.000 0.854 157 Q CA 0.586 56.398 55.803 0.016 0.000 0.960 157 Q CB -0.320 28.426 28.738 0.013 0.000 1.116 157 Q HN 0.990 nan 8.270 nan 0.000 0.500 158 G N 1.554 110.367 108.800 0.022 0.000 2.159 158 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.256 158 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.256 158 G C -0.217 174.699 174.900 0.026 0.000 0.977 158 G CA 0.091 45.206 45.100 0.025 0.000 0.652 158 G HN 0.382 nan 8.290 nan 0.000 0.531 159 N N 1.594 120.308 118.700 0.024 0.000 2.472 159 N HA 0.439 5.179 4.740 -0.001 0.000 0.277 159 N C -0.326 175.202 175.510 0.029 0.000 1.081 159 N CA -0.438 52.626 53.050 0.022 0.000 0.973 159 N CB 0.722 39.218 38.487 0.014 0.000 1.105 159 N HN 0.133 nan 8.380 nan 0.000 0.470 160 D N 1.566 121.987 120.400 0.034 0.000 2.458 160 D HA 0.026 4.666 4.640 -0.001 0.000 0.243 160 D C 0.710 177.031 176.300 0.036 0.000 1.146 160 D CA -0.010 54.020 54.000 0.049 0.000 0.877 160 D CB 0.345 41.184 40.800 0.066 0.000 1.176 160 D HN 0.450 nan 8.370 nan 0.000 0.461 161 I N -0.869 119.726 120.570 0.041 0.000 2.872 161 I HA 0.216 4.386 4.170 -0.001 0.000 0.291 161 I C 0.672 176.797 176.117 0.013 0.000 1.216 161 I CA -0.704 60.610 61.300 0.024 0.000 1.424 161 I CB 0.444 38.456 38.000 0.021 0.000 1.351 161 I HN 0.220 nan 8.210 nan 0.000 0.592 162 A N 4.679 127.495 122.820 -0.006 0.000 2.366 162 A HA 0.166 4.486 4.320 -0.001 0.000 0.250 162 A C 0.289 177.859 177.584 -0.023 0.000 1.099 162 A CA -0.288 51.735 52.037 -0.023 0.000 0.794 162 A CB 0.060 19.043 19.000 -0.029 0.000 1.056 162 A HN 0.878 nan 8.150 nan 0.000 0.499 163 Q N -0.465 119.310 119.800 -0.042 0.000 2.361 163 Q HA 0.408 4.747 4.340 -0.001 0.000 0.276 163 Q C 0.740 176.717 176.000 -0.039 0.000 1.022 163 Q CA 1.293 57.074 55.803 -0.038 0.000 0.898 163 Q CB 0.463 29.156 28.738 -0.075 0.000 1.246 163 Q HN 1.632 nan 8.270 nan 0.000 0.410 164 G N 0.738 109.516 108.800 -0.036 0.000 2.746 164 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.685 164 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.685 164 G C 0.589 175.450 174.900 -0.066 0.000 1.350 164 G CA -0.562 44.510 45.100 -0.047 0.000 0.837 164 G HN 0.817 nan 8.290 nan 0.000 0.564 165 G N -0.670 108.089 108.800 -0.070 0.000 2.501 165 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.220 165 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.220 165 G C 1.809 176.670 174.900 -0.065 0.000 1.114 165 G CA 1.463 46.512 45.100 -0.085 0.000 0.757 165 G HN 1.038 nan 8.290 nan 0.000 0.559 166 I N 0.890 121.433 120.570 -0.047 0.000 2.394 166 I HA -0.057 4.112 4.170 -0.001 0.000 0.251 166 I C 2.775 178.871 176.117 -0.034 0.000 1.136 166 I CA 1.091 62.370 61.300 -0.034 0.000 1.425 166 I CB -0.265 37.718 38.000 -0.027 0.000 1.079 166 I HN 0.237 nan 8.210 nan 0.000 0.425 167 G N 0.820 109.595 108.800 -0.041 0.000 2.462 167 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.220 167 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.220 167 G C 1.429 176.306 174.900 -0.039 0.000 1.121 167 G CA 0.314 45.394 45.100 -0.035 0.000 0.758 167 G HN 0.290 nan 8.290 nan 0.000 0.559 168 L N 0.702 121.884 121.223 -0.068 0.000 2.376 168 L HA 0.102 4.442 4.340 -0.001 0.000 0.219 168 L C 2.566 179.423 176.870 -0.022 0.000 1.133 168 L CA 0.984 55.780 54.840 -0.074 0.000 0.816 168 L CB -0.409 41.558 42.059 -0.153 0.000 0.933 168 L HN 0.385 nan 8.230 nan 0.000 0.449 169 E N -1.353 118.835 120.200 -0.019 0.000 2.274 169 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 169 E C 1.564 178.167 176.600 0.005 0.000 0.996 169 E CA 1.450 57.847 56.400 -0.006 0.000 0.840 169 E CB -0.085 29.610 29.700 -0.009 0.000 0.772 169 E HN 0.570 nan 8.360 nan 0.000 0.491 170 T N -1.197 113.361 114.554 0.006 0.000 3.069 170 T HA 0.156 4.506 4.350 -0.001 0.000 0.252 170 T C 0.841 175.558 174.700 0.028 0.000 1.053 170 T CA -0.390 61.719 62.100 0.015 0.000 0.964 170 T CB 0.120 68.993 68.868 0.010 0.000 1.005 170 T HN -0.016 nan 8.240 nan 0.000 0.532 171 L N 1.850 123.096 121.223 0.037 0.000 2.559 171 L HA 0.362 4.701 4.340 -0.001 0.000 0.274 171 L C 1.019 177.930 176.870 0.069 0.000 1.205 171 L CA 0.389 55.268 54.840 0.066 0.000 0.907 171 L CB 0.591 42.713 42.059 0.105 0.000 1.153 171 L HN 0.394 nan 8.230 nan 0.000 0.490 172 A N 3.568 126.427 122.820 0.065 0.000 2.226 172 A HA 0.220 4.539 4.320 -0.001 0.000 0.207 172 A C 0.440 178.056 177.584 0.054 0.000 1.293 172 A CA 0.611 52.680 52.037 0.053 0.000 0.968 172 A CB 0.395 19.419 19.000 0.040 0.000 1.044 172 A HN 0.705 nan 8.150 nan 0.000 0.493 173 S N -0.427 115.312 115.700 0.065 0.000 2.548 173 S HA 0.642 5.112 4.470 -0.001 0.000 0.278 173 S C -1.407 173.241 174.600 0.081 0.000 1.150 173 S CA -0.563 57.670 58.200 0.056 0.000 0.907 173 S CB 0.682 63.907 63.200 0.042 0.000 1.108 173 S HN 0.276 nan 8.310 nan 0.000 0.459 174 I N 2.759 123.371 120.570 0.070 0.000 2.378 174 I HA 0.461 4.631 4.170 -0.001 0.000 0.291 174 I C -0.954 175.197 176.117 0.057 0.000 0.992 174 I CA -0.449 60.913 61.300 0.104 0.000 1.154 174 I CB 1.772 39.840 38.000 0.113 0.000 1.315 174 I HN 0.736 nan 8.210 nan 0.000 0.448 175 D N 6.484 126.933 120.400 0.082 0.000 2.469 175 D HA 0.325 4.965 4.640 -0.001 0.000 0.251 175 D C 0.100 176.443 176.300 0.072 0.000 1.173 175 D CA -0.568 53.464 54.000 0.053 0.000 0.882 175 D CB 1.166 41.994 40.800 0.046 0.000 1.129 175 D HN 0.489 nan 8.370 nan 0.000 0.549 176 I N 0.997 121.594 120.570 0.044 0.000 3.838 176 I HA 0.287 4.457 4.170 -0.001 0.000 0.320 176 I C 0.752 176.887 176.117 0.029 0.000 1.429 176 I CA 0.001 61.334 61.300 0.055 0.000 1.223 176 I CB 0.171 38.179 38.000 0.013 0.000 1.147 176 I HN 0.064 nan 8.210 nan 0.000 0.410 177 S N 1.265 116.981 115.700 0.026 0.000 2.414 177 S HA 0.089 4.558 4.470 -0.001 0.000 0.227 177 S C 1.879 176.488 174.600 0.015 0.000 1.022 177 S CA 0.994 59.204 58.200 0.016 0.000 0.958 177 S CB -0.212 62.998 63.200 0.016 0.000 0.797 177 S HN 0.737 nan 8.310 nan 0.000 0.493 178 G N 0.774 109.586 108.800 0.020 0.000 2.985 178 G HA2 0.181 4.140 3.960 -0.001 0.000 0.209 178 G HA3 0.181 4.140 3.960 -0.001 0.000 0.209 178 G C 0.266 175.168 174.900 0.003 0.000 1.165 178 G CA -0.280 44.826 45.100 0.011 0.000 0.776 178 G HN 0.329 nan 8.290 nan 0.000 0.541 179 L N 1.832 123.064 121.223 0.015 0.000 2.462 179 L HA 0.179 4.519 4.340 -0.001 0.000 0.272 179 L C 0.203 177.069 176.870 -0.007 0.000 1.166 179 L CA -0.857 53.992 54.840 0.014 0.000 0.880 179 L CB 0.425 42.521 42.059 0.060 0.000 1.142 179 L HN 0.008 nan 8.230 nan 0.000 0.473 180 D N 3.567 123.949 120.400 -0.031 0.000 2.662 180 D HA -0.138 4.502 4.640 -0.001 0.000 0.237 180 D C 0.749 177.035 176.300 -0.025 0.000 1.154 180 D CA 0.346 54.323 54.000 -0.038 0.000 0.861 180 D CB 0.838 41.599 40.800 -0.064 0.000 1.146 180 D HN 0.495 nan 8.370 nan 0.000 0.518 181 K N 2.760 123.149 120.400 -0.019 0.000 2.442 181 K HA -0.045 4.275 4.320 -0.001 0.000 0.198 181 K C 1.667 178.257 176.600 -0.016 0.000 1.042 181 K CA 0.616 56.895 56.287 -0.015 0.000 0.958 181 K CB 0.157 32.650 32.500 -0.012 0.000 0.766 181 K HN 0.379 nan 8.250 nan 0.000 0.474 182 R N -0.095 120.392 120.500 -0.021 0.000 2.313 182 R HA 0.101 4.441 4.340 -0.001 0.000 0.199 182 R C 1.435 177.725 176.300 -0.018 0.000 0.958 182 R CA 0.289 56.377 56.100 -0.020 0.000 1.047 182 R CB -0.088 30.195 30.300 -0.027 0.000 0.955 182 R HN 0.147 nan 8.270 nan 0.000 0.481 183 L N 0.332 121.543 121.223 -0.019 0.000 2.023 183 L HA -0.144 4.196 4.340 -0.001 0.000 0.205 183 L C 2.582 179.451 176.870 -0.002 0.000 1.073 183 L CA 1.541 56.373 54.840 -0.013 0.000 0.745 183 L CB -0.574 41.478 42.059 -0.011 0.000 0.900 183 L HN 0.221 nan 8.230 nan 0.000 0.435 184 S N 0.451 116.146 115.700 -0.007 0.000 2.368 184 S HA -0.204 4.266 4.470 -0.001 0.000 0.225 184 S C 2.220 176.819 174.600 -0.003 0.000 1.030 184 S CA 0.895 59.089 58.200 -0.010 0.000 0.999 184 S CB -0.704 62.484 63.200 -0.021 0.000 0.844 184 S HN 0.340 nan 8.310 nan 0.000 0.459 185 A N 0.827 123.646 122.820 -0.002 0.000 1.927 185 A HA -0.081 4.239 4.320 -0.001 0.000 0.220 185 A C 1.647 179.248 177.584 0.027 0.000 1.185 185 A CA 1.325 53.365 52.037 0.006 0.000 0.639 185 A CB -1.520 17.482 19.000 0.002 0.000 0.820 185 A HN 0.696 nan 8.150 nan 0.000 0.451 186 C N 0.266 119.587 119.300 0.034 0.000 2.593 186 C HA 0.310 4.769 4.460 -0.001 0.000 0.409 186 C C 0.673 175.745 174.990 0.137 0.000 1.304 186 C CA -0.540 58.518 59.018 0.066 0.000 2.007 186 C CB -1.027 26.730 27.740 0.028 0.000 2.614 186 C HN 0.605 nan 8.230 nan 0.000 0.585 187 H N 5.455 124.563 119.070 0.063 0.000 2.911 187 H HA 0.432 4.988 4.556 -0.001 0.000 0.273 187 H C -0.584 174.851 175.328 0.177 0.000 1.157 187 H CA -0.369 55.738 56.048 0.099 0.000 1.402 187 H CB 0.101 29.903 29.762 0.067 0.000 1.463 187 H HN 0.626 nan 8.280 nan 0.000 0.475 188 I N 5.432 126.104 120.570 0.170 0.000 2.362 188 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 188 I C -0.453 175.686 176.117 0.038 0.000 0.994 188 I CA -0.437 60.885 61.300 0.036 0.000 1.158 188 I CB 1.801 39.812 38.000 0.019 0.000 1.315 188 I HN 0.569 nan 8.210 nan 0.000 0.451 189 E N 5.520 125.702 120.200 -0.030 0.000 2.187 189 E HA 0.574 4.924 4.350 -0.001 0.000 0.268 189 E C -1.313 175.287 176.600 0.001 0.000 0.896 189 E CA -0.805 55.602 56.400 0.011 0.000 0.766 189 E CB 3.094 32.806 29.700 0.020 0.000 1.142 189 E HN 0.244 nan 8.360 nan 0.000 0.408 190 V N 2.024 121.954 119.914 0.027 0.000 2.409 190 V HA 0.392 4.512 4.120 -0.001 0.000 0.291 190 V C 0.021 176.125 176.094 0.016 0.000 1.020 190 V CA -0.945 61.364 62.300 0.015 0.000 0.848 190 V CB 1.429 33.269 31.823 0.027 0.000 0.990 190 V HN 0.821 nan 8.190 nan 0.000 0.430 191 A N 3.886 126.708 122.820 0.004 0.000 2.476 191 A HA 0.378 4.698 4.320 -0.001 0.000 0.275 191 A C 0.081 177.661 177.584 -0.006 0.000 1.133 191 A CA 0.146 52.184 52.037 0.002 0.000 0.797 191 A CB -0.352 18.646 19.000 -0.003 0.000 1.081 191 A HN 1.011 nan 8.150 nan 0.000 0.510 192 C N 2.837 122.138 119.300 0.001 0.000 2.432 192 C HA 0.620 5.080 4.460 -0.001 0.000 0.334 192 C C -0.070 174.919 174.990 -0.001 0.000 1.155 192 C CA -0.602 58.411 59.018 -0.008 0.000 1.335 192 C CB 0.065 27.805 27.740 -0.000 0.000 1.964 192 C HN 0.912 nan 8.230 nan 0.000 0.444 193 D N 2.904 123.299 120.400 -0.007 0.000 2.513 193 D HA 0.225 4.865 4.640 -0.001 0.000 0.222 193 D C 0.189 176.499 176.300 0.018 0.000 1.210 193 D CA 0.222 54.225 54.000 0.006 0.000 0.825 193 D CB 0.992 41.796 40.800 0.006 0.000 1.037 193 D HN 0.567 nan 8.370 nan 0.000 0.506 194 V N -1.737 118.188 119.914 0.019 0.000 2.864 194 V HA 0.584 4.704 4.120 -0.001 0.000 0.314 194 V C 1.198 177.324 176.094 0.054 0.000 1.073 194 V CA -0.612 61.725 62.300 0.061 0.000 0.956 194 V CB 1.662 33.557 31.823 0.120 0.000 1.023 194 V HN 0.063 nan 8.190 nan 0.000 0.435 195 T N -0.676 113.917 114.554 0.066 0.000 3.107 195 T HA 0.187 4.537 4.350 -0.001 0.000 0.249 195 T C 0.534 175.267 174.700 0.055 0.000 1.096 195 T CA 0.094 62.220 62.100 0.043 0.000 1.012 195 T CB -0.997 67.889 68.868 0.030 0.000 0.977 195 T HN 0.737 nan 8.240 nan 0.000 0.527 196 N N 4.031 122.796 118.700 0.107 0.000 2.458 196 N HA 0.267 5.007 4.740 -0.001 0.000 0.258 196 N C -2.457 173.107 175.510 0.090 0.000 1.219 196 N CA -0.896 52.229 53.050 0.124 0.000 0.902 196 N CB 0.622 39.267 38.487 0.263 0.000 1.076 196 N HN 0.332 nan 8.380 nan 0.000 0.455 197 P HA 0.090 nan 4.420 nan 0.000 0.297 197 P C 0.615 177.953 177.300 0.063 0.000 1.307 197 P CA -0.619 62.505 63.100 0.040 0.000 0.773 197 P CB 1.119 32.831 31.700 0.021 0.000 1.265 198 L N -1.022 120.234 121.223 0.054 0.000 2.017 198 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 198 L C 1.196 178.110 176.870 0.073 0.000 1.073 198 L CA 2.174 57.060 54.840 0.077 0.000 0.745 198 L CB -0.444 41.665 42.059 0.083 0.000 0.894 198 L HN 0.593 nan 8.230 nan 0.000 0.432 199 T N -3.513 111.074 114.554 0.054 0.000 2.901 199 T HA 0.684 5.034 4.350 -0.001 0.000 0.293 199 T C -0.132 174.585 174.700 0.028 0.000 1.084 199 T CA -0.117 62.008 62.100 0.040 0.000 1.008 199 T CB 2.404 71.292 68.868 0.034 0.000 1.170 199 T HN 0.469 nan 8.240 nan 0.000 0.509 200 G N 1.387 110.197 108.800 0.018 0.000 2.498 200 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.651 200 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.651 200 G C 0.331 175.228 174.900 -0.004 0.000 1.284 200 G CA 0.064 45.170 45.100 0.009 0.000 0.950 200 G HN 1.090 nan 8.290 nan 0.000 0.511 201 K N -0.297 120.098 120.400 -0.009 0.000 2.144 201 K HA -0.126 4.194 4.320 -0.001 0.000 0.209 201 K C 1.359 177.936 176.600 -0.038 0.000 1.047 201 K CA 2.372 58.646 56.287 -0.022 0.000 0.927 201 K CB -0.029 32.461 32.500 -0.018 0.000 0.716 201 K HN 0.380 nan 8.250 nan 0.000 0.454 202 E N 0.486 120.667 120.200 -0.032 0.000 2.558 202 E HA 0.194 4.544 4.350 -0.001 0.000 0.205 202 E C 0.249 176.831 176.600 -0.029 0.000 1.006 202 E CA -0.126 56.243 56.400 -0.051 0.000 0.961 202 E CB 1.078 30.757 29.700 -0.035 0.000 1.044 202 E HN 0.439 nan 8.360 nan 0.000 0.465 203 G N 0.172 108.968 108.800 -0.006 0.000 2.651 203 G HA2 0.268 4.227 3.960 -0.001 0.000 0.260 203 G HA3 0.268 4.227 3.960 -0.001 0.000 0.260 203 G C 1.182 176.120 174.900 0.063 0.000 1.216 203 G CA -0.031 45.093 45.100 0.039 0.000 0.913 203 G HN 0.232 nan 8.290 nan 0.000 0.535 204 A N 0.173 123.080 122.820 0.146 0.000 1.881 204 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 204 A C 2.718 180.407 177.584 0.174 0.000 1.215 204 A CA 2.884 55.071 52.037 0.249 0.000 0.648 204 A CB -1.020 18.083 19.000 0.171 0.000 0.832 204 A HN 0.638 nan 8.150 nan 0.000 0.455 205 S N -0.141 115.611 115.700 0.086 0.000 2.345 205 S HA 0.029 4.499 4.470 -0.001 0.000 0.220 205 S C 2.378 176.983 174.600 0.008 0.000 1.031 205 S CA 1.256 59.485 58.200 0.048 0.000 0.996 205 S CB -0.746 62.471 63.200 0.029 0.000 0.882 205 S HN 0.887 nan 8.310 nan 0.000 0.445 206 A N 1.147 123.956 122.820 -0.019 0.000 1.908 206 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 206 A C 2.339 179.849 177.584 -0.124 0.000 1.181 206 A CA 1.882 53.885 52.037 -0.057 0.000 0.627 206 A CB -0.834 18.133 19.000 -0.054 0.000 0.818 206 A HN 0.362 nan 8.150 nan 0.000 0.445 207 V N -2.432 117.348 119.914 -0.224 0.000 2.500 207 V HA -0.010 4.110 4.120 -0.001 0.000 0.243 207 V C 1.876 177.584 176.094 -0.644 0.000 1.039 207 V CA 1.495 63.485 62.300 -0.516 0.000 1.053 207 V CB -0.626 30.697 31.823 -0.833 0.000 0.695 207 V HN 0.537 nan 8.190 nan 0.000 0.463 208 F N 0.468 120.420 119.950 0.004 0.000 2.727 208 F HA 0.396 4.922 4.527 -0.001 0.000 0.302 208 F C 2.237 178.038 175.800 0.003 0.000 1.107 208 F CA 0.309 58.312 58.000 0.004 0.000 1.277 208 F CB -1.043 37.960 39.000 0.005 0.000 1.079 208 F HN 0.108 nan 8.300 nan 0.000 0.594 209 G N 2.352 111.225 108.800 0.122 0.000 2.599 209 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.219 209 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.219 209 G C -0.580 174.349 174.900 0.049 0.000 1.193 209 G CA 1.191 46.333 45.100 0.070 0.000 0.778 209 G HN 0.193 nan 8.290 nan 0.000 0.589 210 P HA -0.189 nan 4.420 nan 0.000 0.216 210 P C 2.024 179.342 177.300 0.030 0.000 1.154 210 P CA 2.030 65.140 63.100 0.016 0.000 0.865 210 P CB -0.245 31.453 31.700 -0.004 0.000 0.789 211 Q N 0.024 119.854 119.800 0.050 0.000 2.291 211 Q HA -0.112 4.228 4.340 -0.001 0.000 0.205 211 Q C 1.201 177.234 176.000 0.054 0.000 0.970 211 Q CA 1.297 57.135 55.803 0.057 0.000 0.876 211 Q CB -0.646 28.143 28.738 0.085 0.000 0.935 211 Q HN 0.243 nan 8.270 nan 0.000 0.455 212 K N 0.231 120.666 120.400 0.058 0.000 2.476 212 K HA 0.175 4.494 4.320 -0.001 0.000 0.196 212 K C 0.568 177.187 176.600 0.031 0.000 1.025 212 K CA 0.394 56.708 56.287 0.045 0.000 1.138 212 K CB 0.472 33.001 32.500 0.050 0.000 0.860 212 K HN 0.472 nan 8.250 nan 0.000 0.515 213 G N 0.889 109.706 108.800 0.028 0.000 2.141 213 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.231 213 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.231 213 G C 0.158 175.068 174.900 0.016 0.000 0.984 213 G CA -0.082 45.030 45.100 0.020 0.000 0.660 213 G HN 0.426 nan 8.290 nan 0.000 0.525 214 A N 1.298 124.129 122.820 0.018 0.000 2.444 214 A HA 0.629 4.949 4.320 -0.001 0.000 0.273 214 A C 1.132 178.720 177.584 0.007 0.000 1.136 214 A CA 1.098 53.143 52.037 0.012 0.000 0.799 214 A CB -0.063 18.947 19.000 0.016 0.000 1.081 214 A HN 1.712 nan 8.150 nan 0.000 0.509 215 T N 1.513 116.069 114.554 0.004 0.000 2.813 215 T HA 0.332 4.682 4.350 -0.001 0.000 0.297 215 T C -1.749 172.950 174.700 -0.002 0.000 1.036 215 T CA -1.084 61.016 62.100 0.001 0.000 1.044 215 T CB 0.370 69.239 68.868 0.001 0.000 0.993 215 T HN 0.353 nan 8.240 nan 0.000 0.535 216 P HA -0.023 nan 4.420 nan 0.000 0.218 216 P C 0.861 178.159 177.300 -0.005 0.000 1.148 216 P CA 0.859 63.955 63.100 -0.006 0.000 0.822 216 P CB 0.109 31.805 31.700 -0.006 0.000 0.784 220 E N 2.168 122.366 120.200 -0.004 0.000 2.077 220 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 220 E C 2.132 178.729 176.600 -0.005 0.000 0.989 220 E CA 1.470 57.868 56.400 -0.004 0.000 0.800 220 E CB 0.198 29.895 29.700 -0.004 0.000 0.746 220 E HN 0.266 nan 8.360 nan 0.000 0.452 221 R N 0.038 120.534 120.500 -0.006 0.000 2.080 221 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 221 R C 2.576 178.870 176.300 -0.010 0.000 1.137 221 R CA 1.467 57.562 56.100 -0.008 0.000 0.943 221 R CB -0.400 29.896 30.300 -0.008 0.000 0.846 221 R HN 0.236 nan 8.270 nan 0.000 0.431 222 L N 0.203 121.421 121.223 -0.008 0.000 2.046 222 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 222 L C 2.156 179.024 176.870 -0.003 0.000 1.077 222 L CA 1.419 56.253 54.840 -0.009 0.000 0.747 222 L CB -0.419 41.638 42.059 -0.003 0.000 0.896 222 L HN 0.207 nan 8.230 nan 0.000 0.432 223 D N -0.744 119.657 120.400 0.000 0.000 2.117 223 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 223 D C 2.016 178.311 176.300 -0.008 0.000 0.982 223 D CA 1.582 55.584 54.000 0.003 0.000 0.828 223 D CB 0.153 40.954 40.800 0.002 0.000 0.967 223 D HN 0.131 nan 8.370 nan 0.000 0.464 224 T N -0.242 114.304 114.554 -0.014 0.000 2.652 224 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 224 T C 1.992 176.674 174.700 -0.030 0.000 1.039 224 T CA 1.807 63.892 62.100 -0.026 0.000 1.153 224 T CB -0.685 68.172 68.868 -0.017 0.000 0.863 224 T HN 0.272 nan 8.240 nan 0.000 0.428 225 A N 0.779 123.589 122.820 -0.017 0.000 1.972 225 A HA 0.060 4.380 4.320 -0.001 0.000 0.219 225 A C 2.303 179.896 177.584 0.015 0.000 1.169 225 A CA 1.107 53.137 52.037 -0.011 0.000 0.635 225 A CB -0.747 18.239 19.000 -0.024 0.000 0.810 225 A HN 0.484 nan 8.150 nan 0.000 0.446 226 L N -1.202 120.036 121.223 0.024 0.000 2.179 226 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 226 L C 2.677 179.597 176.870 0.083 0.000 1.096 226 L CA 1.383 56.281 54.840 0.097 0.000 0.779 226 L CB -0.550 41.559 42.059 0.083 0.000 0.922 226 L HN 0.325 nan 8.230 nan 0.000 0.443 227 T N -0.627 113.914 114.554 -0.022 0.000 2.746 227 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 227 T C 2.035 176.522 174.700 -0.354 0.000 1.039 227 T CA 1.322 63.328 62.100 -0.157 0.000 1.142 227 T CB -0.089 68.676 68.868 -0.171 0.000 0.866 227 T HN 0.204 nan 8.240 nan 0.000 0.444 228 R N -0.329 120.042 120.500 -0.215 0.000 2.070 228 R HA -0.083 4.256 4.340 -0.001 0.000 0.233 228 R C 2.254 178.576 176.300 0.038 0.000 1.137 228 R CA 1.466 57.486 56.100 -0.134 0.000 0.945 228 R CB -0.638 29.649 30.300 -0.022 0.000 0.845 228 R HN 0.373 nan 8.270 nan 0.000 0.430 229 Y N 0.956 121.237 120.300 -0.033 0.000 2.102 229 Y HA -0.327 4.223 4.550 -0.001 0.000 0.280 229 Y C 2.088 178.022 175.900 0.056 0.000 1.178 229 Y CA 1.494 59.611 58.100 0.029 0.000 1.146 229 Y CB -0.756 37.724 38.460 0.034 0.000 0.968 229 Y HN 0.146 nan 8.280 nan 0.000 0.504 230 A N -0.635 122.206 122.820 0.035 0.000 1.908 230 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 230 A C 2.069 179.706 177.584 0.089 0.000 1.181 230 A CA 1.998 54.038 52.037 0.005 0.000 0.627 230 A CB -1.275 17.769 19.000 0.072 0.000 0.818 230 A HN 0.775 nan 8.150 nan 0.000 0.445 231 H N -0.894 118.166 119.070 -0.017 0.000 2.389 231 H HA 0.022 4.578 4.556 -0.001 0.000 0.299 231 H C 1.967 177.265 175.328 -0.051 0.000 1.081 231 H CA 1.074 57.108 56.048 -0.024 0.000 1.345 231 H CB -0.073 29.690 29.762 0.001 0.000 1.393 231 H HN 0.354 nan 8.280 nan 0.000 0.520 232 L N 0.290 121.564 121.223 0.085 0.000 2.156 232 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 232 L C 2.306 179.120 176.870 -0.093 0.000 1.095 232 L CA 0.588 55.433 54.840 0.008 0.000 0.770 232 L CB -0.116 41.973 42.059 0.050 0.000 0.914 232 L HN 0.286 nan 8.230 nan 0.000 0.439 233 I N -0.248 120.229 120.570 -0.155 0.000 2.202 233 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 233 I C 2.708 178.701 176.117 -0.207 0.000 1.091 233 I CA 1.223 62.376 61.300 -0.245 0.000 1.368 233 I CB -0.201 37.618 38.000 -0.302 0.000 1.058 233 I HN 0.192 nan 8.210 nan 0.000 0.410 234 A N 0.186 122.931 122.820 -0.125 0.000 1.972 234 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 234 A C 2.421 179.903 177.584 -0.170 0.000 1.169 234 A CA 1.617 53.590 52.037 -0.107 0.000 0.635 234 A CB -0.554 18.415 19.000 -0.051 0.000 0.810 234 A HN 0.356 nan 8.150 nan 0.000 0.446 235 R N -1.081 119.318 120.500 -0.168 0.000 2.100 235 R HA -0.067 4.273 4.340 -0.001 0.000 0.220 235 R C 0.624 176.709 176.300 -0.359 0.000 1.091 235 R CA 1.463 57.453 56.100 -0.185 0.000 0.986 235 R CB 0.009 30.257 30.300 -0.087 0.000 0.888 235 R HN 0.395 nan 8.270 nan 0.000 0.444 236 D N -0.681 119.507 120.400 -0.354 0.000 2.388 236 D HA 0.034 4.674 4.640 -0.001 0.000 0.208 236 D C 1.015 177.033 176.300 -0.469 0.000 1.035 236 D CA 0.275 54.062 54.000 -0.355 0.000 0.875 236 D CB 0.654 41.346 40.800 -0.181 0.000 0.984 236 D HN 0.110 nan 8.370 nan 0.000 0.508 237 L N 0.274 121.203 121.223 -0.490 0.000 2.858 237 L HA 0.122 4.462 4.340 -0.001 0.000 0.251 237 L C -0.114 176.627 176.870 -0.215 0.000 1.149 237 L CA 0.332 54.960 54.840 -0.354 0.000 0.955 237 L CB -0.480 41.341 42.059 -0.396 0.000 1.289 237 L HN 0.199 nan 8.230 nan 0.000 0.542 238 H N -1.103 117.906 119.070 -0.101 0.000 2.820 238 H HA -0.138 4.418 4.556 -0.001 0.000 0.295 238 H C 0.284 175.577 175.328 -0.059 0.000 1.187 238 H CA 0.768 56.774 56.048 -0.070 0.000 1.144 238 H CB -1.906 27.818 29.762 -0.063 0.000 1.354 238 H HN 0.170 nan 8.280 nan 0.000 0.395 239 V N 1.075 120.980 119.914 -0.015 0.000 2.487 239 V HA 0.267 4.387 4.120 -0.001 0.000 0.298 239 V C -0.169 175.947 176.094 0.037 0.000 1.028 239 V CA -0.745 61.569 62.300 0.023 0.000 0.860 239 V CB 2.204 34.026 31.823 -0.003 0.000 0.991 239 V HN 0.231 nan 8.190 nan 0.000 0.427 240 D N 4.926 125.369 120.400 0.071 0.000 2.383 240 D HA 0.102 4.742 4.640 -0.001 0.000 0.245 240 D C 1.019 177.360 176.300 0.067 0.000 1.263 240 D CA 0.481 54.513 54.000 0.053 0.000 0.936 240 D CB 1.250 42.074 40.800 0.040 0.000 1.053 240 D HN 0.582 nan 8.370 nan 0.000 0.507 241 V N 1.634 121.575 119.914 0.045 0.000 3.506 241 V HA -0.012 4.108 4.120 -0.001 0.000 0.263 241 V C 1.793 177.882 176.094 -0.008 0.000 1.203 241 V CA 0.167 62.473 62.300 0.009 0.000 1.133 241 V CB -0.456 31.390 31.823 0.037 0.000 0.802 241 V HN 0.275 nan 8.190 nan 0.000 0.459 242 L N 0.422 121.655 121.223 0.018 0.000 2.275 242 L HA 0.090 4.429 4.340 -0.001 0.000 0.215 242 L C 1.845 178.722 176.870 0.011 0.000 1.119 242 L CA 1.484 56.346 54.840 0.036 0.000 0.790 242 L CB -1.017 41.085 42.059 0.071 0.000 0.919 242 L HN 0.306 nan 8.230 nan 0.000 0.443 243 D N -0.888 119.504 120.400 -0.014 0.000 2.398 243 D HA 0.166 4.805 4.640 -0.001 0.000 0.210 243 D C 0.616 176.875 176.300 -0.067 0.000 1.094 243 D CA -0.008 53.976 54.000 -0.027 0.000 0.839 243 D CB 0.643 41.433 40.800 -0.017 0.000 0.963 243 D HN 0.165 nan 8.370 nan 0.000 0.506 244 L N 1.832 122.984 121.223 -0.118 0.000 2.500 244 L HA 0.149 4.489 4.340 -0.001 0.000 0.272 244 L C 0.488 177.289 176.870 -0.115 0.000 1.149 244 L CA -0.301 54.417 54.840 -0.204 0.000 0.897 244 L CB 0.686 42.535 42.059 -0.350 0.000 1.178 244 L HN -0.059 nan 8.230 nan 0.000 0.473 245 A N 3.457 126.220 122.820 -0.096 0.000 2.492 245 A HA 0.427 4.747 4.320 -0.001 0.000 0.254 245 A C 1.212 178.763 177.584 -0.055 0.000 1.091 245 A CA 0.588 52.596 52.037 -0.049 0.000 0.768 245 A CB 0.140 19.120 19.000 -0.032 0.000 1.028 245 A HN 1.163 nan 8.150 nan 0.000 0.498 246 G N 1.823 110.613 108.800 -0.017 0.000 2.199 246 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.254 246 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.254 246 G C 1.374 176.265 174.900 -0.016 0.000 0.982 246 G CA 0.905 45.999 45.100 -0.010 0.000 0.632 246 G HN 1.858 nan 8.290 nan 0.000 0.529 247 G N 0.659 109.439 108.800 -0.033 0.000 2.462 247 G HA2 0.177 4.137 3.960 -0.001 0.000 0.220 247 G HA3 0.177 4.137 3.960 -0.001 0.000 0.220 247 G C 1.652 176.575 174.900 0.038 0.000 1.121 247 G CA 1.650 46.743 45.100 -0.012 0.000 0.758 247 G HN 1.516 nan 8.290 nan 0.000 0.559 248 G N 0.395 109.230 108.800 0.058 0.000 2.744 248 G HA2 0.338 4.298 3.960 -0.001 0.000 0.211 248 G HA3 0.338 4.298 3.960 -0.001 0.000 0.211 248 G C 0.908 175.841 174.900 0.055 0.000 1.143 248 G CA 0.639 45.800 45.100 0.101 0.000 0.788 248 G HN 0.693 nan 8.290 nan 0.000 0.534 249 A N 0.060 122.868 122.820 -0.020 0.000 2.565 249 A HA 0.473 4.792 4.320 -0.001 0.000 0.237 249 A C 1.556 179.067 177.584 -0.122 0.000 1.053 249 A CA 0.664 52.618 52.037 -0.137 0.000 0.755 249 A CB -0.328 18.616 19.000 -0.094 0.000 0.980 249 A HN 2.033 nan 8.150 nan 0.000 0.506 250 A N 1.773 124.472 122.820 -0.201 0.000 2.610 250 A HA 0.234 4.554 4.320 -0.001 0.000 0.299 250 A C 1.963 179.514 177.584 -0.055 0.000 1.487 250 A CA 1.462 53.425 52.037 -0.123 0.000 0.743 250 A CB -1.796 17.151 19.000 -0.087 0.000 1.070 250 A HN 3.140 nan 8.150 nan 0.000 0.439 251 G N -2.574 106.210 108.800 -0.026 0.000 2.187 251 G HA2 0.334 4.293 3.960 -0.001 0.000 0.261 251 G HA3 0.334 4.293 3.960 -0.001 0.000 0.261 251 G C 1.079 176.000 174.900 0.035 0.000 1.000 251 G CA 0.995 46.109 45.100 0.024 0.000 0.718 251 G HN 3.329 nan 8.290 nan 0.000 0.519 255 A N 1.348 124.229 122.820 0.102 0.000 1.902 255 A HA 0.374 4.694 4.320 -0.001 0.000 0.217 255 A C 2.703 180.432 177.584 0.242 0.000 1.181 255 A CA 2.784 54.906 52.037 0.143 0.000 0.623 255 A CB -0.803 18.265 19.000 0.114 0.000 0.818 255 A HN 1.373 nan 8.150 nan 0.000 0.443 256 A N -0.622 122.339 122.820 0.236 0.000 1.969 256 A HA 0.032 4.352 4.320 -0.001 0.000 0.218 256 A C 2.140 179.878 177.584 0.257 0.000 1.169 256 A CA 1.403 53.615 52.037 0.291 0.000 0.635 256 A CB -0.485 18.579 19.000 0.107 0.000 0.810 256 A HN 0.465 nan 8.150 nan 0.000 0.445 257 L N -2.399 118.922 121.223 0.163 0.000 2.109 257 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 257 L C 2.488 179.459 176.870 0.169 0.000 1.086 257 L CA 1.446 56.362 54.840 0.127 0.000 0.760 257 L CB -0.527 41.577 42.059 0.075 0.000 0.910 257 L HN 0.594 nan 8.230 nan 0.000 0.437 258 Y N 0.452 120.796 120.300 0.073 0.000 2.089 258 Y HA -0.328 4.222 4.550 -0.001 0.000 0.282 258 Y C 2.464 178.397 175.900 0.056 0.000 1.139 258 Y CA 1.831 59.965 58.100 0.057 0.000 1.123 258 Y CB -0.178 38.309 38.460 0.045 0.000 0.980 258 Y HN 0.105 nan 8.280 nan 0.000 0.493 259 A N -0.422 122.524 122.820 0.211 0.000 1.854 259 A HA -0.089 4.231 4.320 -0.001 0.000 0.214 259 A C 1.978 179.521 177.584 -0.069 0.000 1.192 259 A CA 1.640 53.693 52.037 0.028 0.000 0.611 259 A CB -1.294 17.735 19.000 0.049 0.000 0.832 259 A HN 0.504 nan 8.150 nan 0.000 0.442 260 F N -0.771 119.159 119.950 -0.032 0.000 2.187 260 F HA -0.059 4.468 4.527 -0.000 0.000 0.295 260 F C 2.487 178.255 175.800 -0.053 0.000 1.091 260 F CA 1.025 59.000 58.000 -0.041 0.000 1.308 260 F CB -0.567 38.417 39.000 -0.027 0.000 1.030 260 F HN 0.225 nan 8.300 nan 0.000 0.487 261 C N -0.949 118.440 119.300 0.149 0.000 2.674 261 C HA 0.469 4.928 4.460 -0.001 0.000 0.276 261 C C 1.969 176.965 174.990 0.009 0.000 1.300 261 C CA 0.487 59.543 59.018 0.063 0.000 1.732 261 C CB -0.674 27.095 27.740 0.047 0.000 2.076 261 C HN 0.762 nan 8.230 nan 0.000 0.548 262 G N 0.907 109.685 108.800 -0.036 0.000 2.137 262 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.237 262 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.237 262 G C 0.097 174.977 174.900 -0.034 0.000 1.002 262 G CA 0.277 45.325 45.100 -0.087 0.000 0.702 262 G HN 0.897 nan 8.290 nan 0.000 0.515 263 A N -0.663 122.165 122.820 0.013 0.000 2.386 263 A HA 0.674 4.993 4.320 -0.001 0.000 0.248 263 A C 0.544 178.195 177.584 0.112 0.000 1.082 263 A CA 0.417 52.498 52.037 0.072 0.000 0.789 263 A CB 0.477 19.524 19.000 0.078 0.000 1.025 263 A HN 0.596 nan 8.150 nan 0.000 0.490 264 Q N 0.359 120.241 119.800 0.137 0.000 2.278 264 Q HA 0.456 4.796 4.340 -0.001 0.000 0.257 264 Q C -1.520 174.563 176.000 0.138 0.000 0.928 264 Q CA -0.699 55.200 55.803 0.158 0.000 0.932 264 Q CB 0.840 29.678 28.738 0.167 0.000 1.221 264 Q HN 0.575 nan 8.270 nan 0.000 0.434 265 L N 4.785 126.096 121.223 0.146 0.000 2.283 265 L HA 0.381 4.721 4.340 -0.001 0.000 0.287 265 L C -0.091 176.821 176.870 0.071 0.000 1.073 265 L CA 0.665 55.559 54.840 0.091 0.000 0.822 265 L CB 0.596 42.695 42.059 0.067 0.000 1.186 265 L HN 0.526 nan 8.230 nan 0.000 0.436 266 R N 2.791 123.325 120.500 0.057 0.000 2.837 266 R HA 0.549 4.889 4.340 -0.001 0.000 0.271 266 R C -0.471 175.849 176.300 0.033 0.000 0.993 266 R CA -1.183 54.947 56.100 0.050 0.000 0.931 266 R CB 1.909 32.246 30.300 0.062 0.000 1.206 266 R HN 0.393 nan 8.270 nan 0.000 0.474 267 R N 0.581 121.098 120.500 0.028 0.000 2.538 267 R HA -0.036 4.304 4.340 -0.001 0.000 0.282 267 R C 1.271 177.583 176.300 0.020 0.000 1.009 267 R CA 0.624 56.736 56.100 0.020 0.000 1.063 267 R CB 0.562 30.873 30.300 0.018 0.000 0.945 267 R HN 0.960 nan 8.270 nan 0.000 0.414 268 G N 3.237 112.045 108.800 0.013 0.000 2.476 268 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.218 268 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.218 268 G C 1.288 176.194 174.900 0.010 0.000 1.164 268 G CA 0.492 45.597 45.100 0.010 0.000 0.768 268 G HN 0.588 nan 8.290 nan 0.000 0.560 269 I N 0.943 121.519 120.570 0.010 0.000 2.335 269 I HA -0.120 4.049 4.170 -0.001 0.000 0.251 269 I C 2.546 178.672 176.117 0.015 0.000 1.129 269 I CA 1.463 62.769 61.300 0.011 0.000 1.402 269 I CB -0.230 37.778 38.000 0.013 0.000 1.069 269 I HN 0.317 nan 8.210 nan 0.000 0.424 270 E N -0.198 120.014 120.200 0.020 0.000 2.152 270 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 270 E C 2.280 178.900 176.600 0.032 0.000 0.983 270 E CA 1.105 57.522 56.400 0.027 0.000 0.818 270 E CB -0.067 29.652 29.700 0.031 0.000 0.758 270 E HN 0.515 nan 8.360 nan 0.000 0.467 271 I N 0.188 120.778 120.570 0.033 0.000 2.202 271 I HA -0.240 3.929 4.170 -0.001 0.000 0.242 271 I C 2.217 178.352 176.117 0.029 0.000 1.091 271 I CA 0.752 62.079 61.300 0.044 0.000 1.368 271 I CB -0.136 37.890 38.000 0.044 0.000 1.058 271 I HN -0.003 nan 8.210 nan 0.000 0.410 272 V N 0.356 120.274 119.914 0.005 0.000 2.358 272 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 272 V C 2.498 178.574 176.094 -0.030 0.000 1.047 272 V CA 2.283 64.569 62.300 -0.024 0.000 1.035 272 V CB -0.777 31.025 31.823 -0.035 0.000 0.658 272 V HN 0.462 nan 8.190 nan 0.000 0.452 273 T N 0.146 114.694 114.554 -0.009 0.000 2.570 273 T HA -0.256 4.094 4.350 -0.001 0.000 0.266 273 T C 1.634 176.323 174.700 -0.019 0.000 1.071 273 T CA 2.146 64.245 62.100 -0.000 0.000 1.172 273 T CB -0.447 68.435 68.868 0.023 0.000 0.864 273 T HN 0.515 nan 8.240 nan 0.000 0.421 274 D N 1.104 121.497 120.400 -0.010 0.000 2.097 274 D HA -0.012 4.628 4.640 -0.001 0.000 0.195 274 D C 2.327 178.535 176.300 -0.153 0.000 0.989 274 D CA 1.265 55.249 54.000 -0.026 0.000 0.827 274 D CB -0.693 40.118 40.800 0.019 0.000 0.966 274 D HN 0.419 nan 8.370 nan 0.000 0.456 275 A N 0.296 123.051 122.820 -0.109 0.000 1.978 275 A HA -0.115 4.205 4.320 -0.001 0.000 0.220 275 A C 2.050 179.419 177.584 -0.359 0.000 1.170 275 A CA 1.084 53.040 52.037 -0.135 0.000 0.636 275 A CB -0.531 18.487 19.000 0.030 0.000 0.810 275 A HN 0.288 nan 8.150 nan 0.000 0.448 276 L N -2.257 118.788 121.223 -0.297 0.000 2.728 276 L HA 0.213 4.553 4.340 -0.001 0.000 0.238 276 L C -0.068 176.721 176.870 -0.135 0.000 1.143 276 L CA -0.231 54.479 54.840 -0.217 0.000 0.937 276 L CB -0.478 41.532 42.059 -0.082 0.000 1.225 276 L HN 0.599 nan 8.230 nan 0.000 0.507 277 H N -1.466 117.622 119.070 0.030 0.000 2.692 277 H HA -0.210 4.346 4.556 -0.001 0.000 0.316 277 H C 1.548 176.884 175.328 0.013 0.000 1.176 277 H CA 0.370 56.431 56.048 0.022 0.000 1.142 277 H CB -1.509 28.261 29.762 0.014 0.000 1.475 277 H HN 0.305 nan 8.280 nan 0.000 0.423 278 L N 0.172 121.436 121.223 0.070 0.000 2.127 278 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 278 L C 2.445 179.353 176.870 0.063 0.000 1.089 278 L CA 2.400 57.273 54.840 0.054 0.000 0.757 278 L CB -0.199 41.884 42.059 0.039 0.000 0.899 278 L HN 0.600 nan 8.230 nan 0.000 0.434 279 E N -0.428 119.823 120.200 0.085 0.000 2.150 279 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 279 E C 2.065 178.653 176.600 -0.021 0.000 0.985 279 E CA 1.103 57.562 56.400 0.099 0.000 0.814 279 E CB 0.059 29.851 29.700 0.152 0.000 0.752 279 E HN 0.547 nan 8.360 nan 0.000 0.466 280 A N 0.227 123.045 122.820 -0.003 0.000 1.872 280 A HA -0.142 4.178 4.320 -0.001 0.000 0.214 280 A C 2.455 179.991 177.584 -0.081 0.000 1.187 280 A CA 1.165 53.163 52.037 -0.065 0.000 0.614 280 A CB -0.862 18.123 19.000 -0.025 0.000 0.826 280 A HN 0.529 nan 8.150 nan 0.000 0.442 281 C N -0.855 118.431 119.300 -0.024 0.000 2.401 281 C HA -0.123 4.337 4.460 -0.001 0.000 0.276 281 C C 2.485 177.439 174.990 -0.059 0.000 1.233 281 C CA 1.110 60.110 59.018 -0.029 0.000 1.753 281 C CB -1.418 26.324 27.740 0.004 0.000 2.029 281 C HN 0.529 nan 8.230 nan 0.000 0.478 282 L N 1.087 122.275 121.223 -0.059 0.000 2.179 282 L HA 0.089 4.428 4.340 -0.001 0.000 0.208 282 L C 2.684 179.466 176.870 -0.146 0.000 1.096 282 L CA 1.786 56.598 54.840 -0.047 0.000 0.779 282 L CB -1.346 40.739 42.059 0.044 0.000 0.922 282 L HN 0.298 nan 8.230 nan 0.000 0.443 283 A N -1.049 121.544 122.820 -0.379 0.000 1.972 283 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 283 A C 2.088 179.485 177.584 -0.312 0.000 1.169 283 A CA 1.838 53.457 52.037 -0.697 0.000 0.635 283 A CB -0.434 17.994 19.000 -0.953 0.000 0.810 283 A HN 0.385 nan 8.150 nan 0.000 0.446 284 D N -0.557 119.722 120.400 -0.201 0.000 2.333 284 D HA 0.257 4.897 4.640 -0.001 0.000 0.208 284 D C 0.882 177.126 176.300 -0.093 0.000 0.984 284 D CA 0.698 54.623 54.000 -0.125 0.000 0.873 284 D CB -0.123 40.614 40.800 -0.105 0.000 0.935 284 D HN 0.381 nan 8.370 nan 0.000 0.521 285 A N 0.436 123.207 122.820 -0.083 0.000 2.386 285 A HA 0.130 4.450 4.320 -0.001 0.000 0.248 285 A C 0.948 178.501 177.584 -0.051 0.000 1.082 285 A CA -0.105 51.893 52.037 -0.064 0.000 0.789 285 A CB 0.394 19.368 19.000 -0.044 0.000 1.025 285 A HN 0.061 nan 8.150 nan 0.000 0.490 286 D N -0.693 119.669 120.400 -0.064 0.000 2.305 286 D HA 0.151 4.791 4.640 -0.001 0.000 0.206 286 D C -0.260 176.033 176.300 -0.012 0.000 0.974 286 D CA 0.949 54.921 54.000 -0.048 0.000 0.871 286 D CB 0.316 41.063 40.800 -0.089 0.000 0.947 286 D HN 0.288 nan 8.370 nan 0.000 0.516 287 L N 0.499 121.715 121.223 -0.012 0.000 2.588 287 L HA 0.278 4.618 4.340 -0.001 0.000 0.263 287 L C -1.783 175.091 176.870 0.008 0.000 0.935 287 L CA -0.689 54.168 54.840 0.030 0.000 0.891 287 L CB 2.193 44.293 42.059 0.069 0.000 1.318 287 L HN -0.341 nan 8.230 nan 0.000 0.409 288 V N 5.746 125.680 119.914 0.034 0.000 2.448 288 V HA 0.622 4.742 4.120 -0.001 0.000 0.295 288 V C -0.273 175.840 176.094 0.031 0.000 1.025 288 V CA -0.543 61.770 62.300 0.022 0.000 0.859 288 V CB 1.643 33.490 31.823 0.041 0.000 0.988 288 V HN 0.528 nan 8.190 nan 0.000 0.431 289 I N 3.562 124.126 120.570 -0.010 0.000 2.433 289 I HA 0.640 4.809 4.170 -0.001 0.000 0.292 289 I C 0.190 176.322 176.117 0.026 0.000 1.001 289 I CA 0.054 61.359 61.300 0.008 0.000 1.119 289 I CB 1.670 39.619 38.000 -0.086 0.000 1.289 289 I HN 0.704 nan 8.210 nan 0.000 0.438 290 T N 3.026 117.619 114.554 0.065 0.000 2.626 290 T HA 0.938 5.288 4.350 -0.001 0.000 0.279 290 T C -0.484 174.280 174.700 0.108 0.000 0.983 290 T CA -0.146 61.996 62.100 0.070 0.000 1.059 290 T CB 2.150 71.058 68.868 0.066 0.000 1.396 290 T HN 1.055 nan 8.240 nan 0.000 0.519 291 G N 0.172 109.042 108.800 0.118 0.000 2.320 291 G HA2 0.525 4.484 3.960 -0.001 0.000 0.297 291 G HA3 0.525 4.484 3.960 -0.001 0.000 0.297 291 G C -1.962 173.054 174.900 0.193 0.000 1.344 291 G CA 0.000 45.205 45.100 0.174 0.000 0.851 291 G HN 0.984 nan 8.290 nan 0.000 0.567 292 E N -1.698 118.647 120.200 0.243 0.000 2.409 292 E HA 0.613 4.962 4.350 -0.001 0.000 0.280 292 E C -0.538 176.067 176.600 0.009 0.000 1.079 292 E CA -0.879 55.653 56.400 0.221 0.000 0.840 292 E CB 1.366 31.132 29.700 0.111 0.000 1.309 292 E HN 1.533 nan 8.360 nan 0.000 0.447 293 G N 0.735 109.522 108.800 -0.021 0.000 2.566 293 G HA2 0.640 4.599 3.960 -0.001 0.000 0.311 293 G HA3 0.640 4.599 3.960 -0.001 0.000 0.311 293 G C -1.070 173.860 174.900 0.051 0.000 1.322 293 G CA -0.708 44.226 45.100 -0.277 0.000 0.969 293 G HN 0.199 nan 8.290 nan 0.000 0.490 294 R N 1.339 121.868 120.500 0.047 0.000 2.686 294 R HA 0.359 4.698 4.340 -0.001 0.000 0.283 294 R C 0.900 177.197 176.300 -0.005 0.000 0.978 294 R CA -0.978 55.149 56.100 0.046 0.000 0.897 294 R CB 1.843 32.149 30.300 0.010 0.000 1.192 294 R HN 0.692 nan 8.270 nan 0.000 0.457 295 I N -2.700 117.878 120.570 0.013 0.000 3.860 295 I HA 0.321 4.491 4.170 -0.001 0.000 0.319 295 I C -0.387 175.707 176.117 -0.038 0.000 1.279 295 I CA 0.040 61.314 61.300 -0.043 0.000 1.220 295 I CB 0.331 38.334 38.000 0.005 0.000 1.027 295 I HN 0.179 nan 8.210 nan 0.000 0.428 296 D N 1.160 121.549 120.400 -0.018 0.000 2.252 296 D HA 0.411 5.050 4.640 -0.001 0.000 0.245 296 D C 0.207 176.497 176.300 -0.017 0.000 1.009 296 D CA -0.037 53.956 54.000 -0.011 0.000 0.870 296 D CB 1.670 42.473 40.800 0.006 0.000 1.251 296 D HN 0.176 nan 8.370 nan 0.000 0.460 303 K N -0.280 120.136 120.400 0.027 0.000 2.209 303 K HA 0.013 4.333 4.320 -0.001 0.000 0.204 303 K C 2.369 178.984 176.600 0.026 0.000 1.048 303 K CA 1.212 57.512 56.287 0.022 0.000 0.940 303 K CB 0.153 32.664 32.500 0.019 0.000 0.729 303 K HN 0.320 nan 8.250 nan 0.000 0.451 304 V N 1.169 121.103 119.914 0.033 0.000 2.239 304 V HA -0.138 3.981 4.120 -0.001 0.000 0.242 304 V C -1.208 174.911 176.094 0.042 0.000 1.038 304 V CA 1.553 63.874 62.300 0.035 0.000 1.002 304 V CB -0.924 30.921 31.823 0.037 0.000 0.641 304 V HN 0.176 nan 8.190 nan 0.000 0.449 305 P HA -0.148 nan 4.420 nan 0.000 0.216 305 P C 1.820 179.153 177.300 0.055 0.000 1.150 305 P CA 1.631 64.766 63.100 0.058 0.000 0.843 305 P CB -0.021 31.718 31.700 0.065 0.000 0.787 306 I N -1.131 119.468 120.570 0.048 0.000 2.286 306 I HA -0.089 4.081 4.170 -0.001 0.000 0.245 306 I C 2.420 178.559 176.117 0.037 0.000 1.104 306 I CA 1.749 63.076 61.300 0.046 0.000 1.397 306 I CB -1.499 36.519 38.000 0.030 0.000 1.072 306 I HN 0.025 nan 8.210 nan 0.000 0.417 307 G N 0.960 109.778 108.800 0.030 0.000 2.446 307 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 307 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 307 G C 1.767 176.691 174.900 0.040 0.000 1.168 307 G CA 0.965 46.083 45.100 0.029 0.000 0.771 307 G HN 0.237 nan 8.290 nan 0.000 0.551 308 V N 1.467 121.408 119.914 0.045 0.000 2.270 308 V HA -0.087 4.032 4.120 -0.001 0.000 0.245 308 V C 3.338 179.470 176.094 0.062 0.000 1.043 308 V CA 2.031 64.363 62.300 0.053 0.000 1.014 308 V CB -0.922 30.931 31.823 0.050 0.000 0.645 308 V HN 0.476 nan 8.190 nan 0.000 0.447 309 A N 0.206 123.063 122.820 0.062 0.000 1.978 309 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 309 A C 2.057 179.679 177.584 0.064 0.000 1.170 309 A CA 2.035 54.113 52.037 0.068 0.000 0.636 309 A CB -0.692 18.353 19.000 0.074 0.000 0.810 309 A HN 0.587 nan 8.150 nan 0.000 0.448 310 N N 0.245 118.977 118.700 0.054 0.000 2.084 310 N HA -0.111 4.629 4.740 -0.001 0.000 0.190 310 N C 1.654 177.178 175.510 0.024 0.000 1.030 310 N CA 1.617 54.688 53.050 0.035 0.000 0.849 310 N CB -0.451 38.048 38.487 0.019 0.000 1.012 310 N HN 0.588 nan 8.380 nan 0.000 0.423 311 I N 1.107 121.707 120.570 0.050 0.000 2.076 311 I HA -0.287 3.882 4.170 -0.001 0.000 0.237 311 I C 2.379 178.569 176.117 0.122 0.000 1.059 311 I CA 1.250 62.602 61.300 0.087 0.000 1.317 311 I CB -0.569 37.512 38.000 0.135 0.000 1.037 311 I HN 0.058 nan 8.210 nan 0.000 0.398 312 A N 0.866 123.770 122.820 0.140 0.000 1.915 312 A HA -0.281 4.039 4.320 -0.001 0.000 0.220 312 A C 2.311 179.961 177.584 0.109 0.000 1.198 312 A CA 2.023 54.153 52.037 0.155 0.000 0.647 312 A CB -0.573 18.490 19.000 0.105 0.000 0.825 312 A HN 0.305 nan 8.150 nan 0.000 0.456 313 K N -0.960 119.470 120.400 0.050 0.000 2.148 313 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 313 K C 2.115 178.686 176.600 -0.047 0.000 1.050 313 K CA 1.293 57.592 56.287 0.019 0.000 0.942 313 K CB -0.321 32.194 32.500 0.025 0.000 0.724 313 K HN 0.545 nan 8.250 nan 0.000 0.446 314 R N 0.104 120.522 120.500 -0.137 0.000 2.133 314 R HA -0.182 4.157 4.340 -0.001 0.000 0.247 314 R C 1.063 177.049 176.300 -0.523 0.000 1.151 314 R CA 1.632 57.517 56.100 -0.359 0.000 0.971 314 R CB -0.124 29.857 30.300 -0.533 0.000 0.866 314 R HN 0.182 nan 8.270 nan 0.000 0.447 315 Y N -0.182 120.129 120.300 0.018 0.000 2.571 315 Y HA 0.276 4.826 4.550 -0.001 0.000 0.275 315 Y C -0.140 175.768 175.900 0.014 0.000 1.179 315 Y CA -0.309 57.799 58.100 0.014 0.000 1.242 315 Y CB -0.266 38.202 38.460 0.012 0.000 1.126 315 Y HN 0.123 nan 8.280 nan 0.000 0.524 316 N N 0.250 119.000 118.700 0.084 0.000 2.727 316 N HA -0.193 4.547 4.740 -0.001 0.000 0.249 316 N C -1.108 174.450 175.510 0.080 0.000 1.048 316 N CA 0.439 53.529 53.050 0.065 0.000 0.714 316 N CB -0.487 38.030 38.487 0.050 0.000 0.959 316 N HN 0.048 nan 8.380 nan 0.000 0.544 317 K N 0.703 121.162 120.400 0.098 0.000 2.156 317 K HA 0.368 4.688 4.320 -0.001 0.000 0.271 317 K C -2.296 174.349 176.600 0.076 0.000 0.995 317 K CA -1.840 54.498 56.287 0.085 0.000 0.890 317 K CB 0.750 33.307 32.500 0.094 0.000 1.073 317 K HN 0.015 nan 8.250 nan 0.000 0.454 318 P HA 0.025 nan 4.420 nan 0.000 0.267 318 P C -0.457 176.897 177.300 0.090 0.000 1.205 318 P CA -0.230 62.920 63.100 0.085 0.000 0.765 318 P CB 0.875 32.635 31.700 0.100 0.000 0.828 319 V N 5.754 125.721 119.914 0.090 0.000 2.483 319 V HA 0.481 4.601 4.120 -0.001 0.000 0.297 319 V C -0.612 175.546 176.094 0.107 0.000 1.027 319 V CA -0.939 61.416 62.300 0.092 0.000 0.855 319 V CB 1.166 33.035 31.823 0.077 0.000 0.995 319 V HN 0.345 nan 8.190 nan 0.000 0.424 320 I N 6.198 126.849 120.570 0.135 0.000 2.474 320 I HA 0.651 4.821 4.170 -0.001 0.000 0.294 320 I C 0.670 176.886 176.117 0.166 0.000 1.005 320 I CA -0.584 60.822 61.300 0.176 0.000 1.113 320 I CB 2.060 40.222 38.000 0.270 0.000 1.289 320 I HN 0.711 nan 8.210 nan 0.000 0.436 321 G N 6.302 115.196 108.800 0.157 0.000 2.400 321 G HA2 0.749 4.708 3.960 -0.001 0.000 0.333 321 G HA3 0.749 4.708 3.960 -0.001 0.000 0.333 321 G C -0.774 174.255 174.900 0.215 0.000 1.143 321 G CA -0.464 44.728 45.100 0.154 0.000 0.914 321 G HN 0.509 nan 8.290 nan 0.000 0.480 322 I N 1.788 122.490 120.570 0.221 0.000 2.420 322 I HA 0.433 4.602 4.170 -0.001 0.000 0.282 322 I C 0.238 176.517 176.117 0.271 0.000 1.019 322 I CA -0.655 60.803 61.300 0.263 0.000 1.130 322 I CB 1.760 39.913 38.000 0.255 0.000 1.262 322 I HN 0.515 nan 8.210 nan 0.000 0.454 323 A N 4.915 127.851 122.820 0.193 0.000 2.271 323 A HA 0.794 5.114 4.320 -0.001 0.000 0.317 323 A C 0.236 177.800 177.584 -0.033 0.000 1.245 323 A CA -0.475 51.608 52.037 0.076 0.000 0.857 323 A CB 0.950 19.976 19.000 0.043 0.000 1.175 323 A HN 0.745 nan 8.150 nan 0.000 0.512 324 G N 0.933 109.488 108.800 -0.409 0.000 2.425 324 G HA2 0.581 4.540 3.960 -0.001 0.000 0.302 324 G HA3 0.581 4.540 3.960 -0.001 0.000 0.302 324 G C 0.007 174.818 174.900 -0.147 0.000 1.159 324 G CA 0.400 45.248 45.100 -0.420 0.000 0.865 324 G HN 1.792 nan 8.290 nan 0.000 0.515 325 S N 0.508 116.112 115.700 -0.160 0.000 2.611 325 S HA 0.362 4.831 4.470 -0.001 0.000 0.268 325 S C 0.273 174.537 174.600 -0.560 0.000 1.156 325 S CA -0.798 57.197 58.200 -0.341 0.000 0.817 325 S CB 0.970 64.071 63.200 -0.165 0.000 1.122 325 S HN 0.241 nan 8.310 nan 0.000 0.466 326 L N 1.292 122.227 121.223 -0.479 0.000 2.307 326 L HA 0.271 4.611 4.340 -0.001 0.000 0.211 326 L C 1.242 177.996 176.870 -0.193 0.000 1.099 326 L CA 1.381 55.995 54.840 -0.377 0.000 0.816 326 L CB -1.809 40.072 42.059 -0.297 0.000 0.952 326 L HN 1.042 nan 8.230 nan 0.000 0.455 337 G N 2.504 111.424 108.800 0.201 0.000 3.088 337 G HA2 0.216 4.175 3.960 -0.001 0.000 0.212 337 G HA3 0.216 4.175 3.960 -0.001 0.000 0.212 337 G C 0.456 175.391 174.900 0.059 0.000 1.173 337 G CA -0.183 44.991 45.100 0.124 0.000 0.779 337 G HN 0.103 nan 8.290 nan 0.000 0.540 338 L N 0.921 122.169 121.223 0.042 0.000 2.319 338 L HA 0.191 4.531 4.340 -0.001 0.000 0.280 338 L C 0.628 177.505 176.870 0.012 0.000 1.099 338 L CA -0.621 54.240 54.840 0.034 0.000 0.828 338 L CB 1.359 43.437 42.059 0.033 0.000 1.150 338 L HN 0.045 nan 8.230 nan 0.000 0.442 339 D N 2.230 122.649 120.400 0.031 0.000 2.149 339 D HA -0.012 4.628 4.640 -0.001 0.000 0.198 339 D C 0.439 176.740 176.300 0.001 0.000 0.990 339 D CA 1.249 55.264 54.000 0.025 0.000 0.839 339 D CB 0.234 41.069 40.800 0.058 0.000 0.948 339 D HN 0.609 nan 8.370 nan 0.000 0.460 340 A N -0.937 121.882 122.820 -0.003 0.000 2.594 340 A HA 0.580 4.900 4.320 -0.001 0.000 0.296 340 A C -1.771 175.742 177.584 -0.119 0.000 1.061 340 A CA -0.620 51.357 52.037 -0.099 0.000 0.689 340 A CB 1.595 20.565 19.000 -0.050 0.000 1.280 340 A HN -0.002 nan 8.150 nan 0.000 0.406 341 V N 1.828 121.561 119.914 -0.301 0.000 2.760 341 V HA 0.883 5.002 4.120 -0.001 0.000 0.309 341 V C -1.879 173.944 176.094 -0.453 0.000 1.077 341 V CA -0.766 61.413 62.300 -0.203 0.000 0.910 341 V CB 1.641 33.418 31.823 -0.077 0.000 1.008 341 V HN 0.825 nan 8.190 nan 0.000 0.424 342 F N 3.533 123.520 119.950 0.063 0.000 2.532 342 F HA 0.683 5.210 4.527 -0.001 0.000 0.321 342 F C 0.432 176.270 175.800 0.063 0.000 1.089 342 F CA -0.433 57.601 58.000 0.057 0.000 0.926 342 F CB 2.407 41.445 39.000 0.063 0.000 1.168 342 F HN 0.468 nan 8.300 nan 0.000 0.459 343 S N 1.364 117.196 115.700 0.220 0.000 2.565 343 S HA 0.829 5.299 4.470 -0.001 0.000 0.290 343 S C -1.155 173.534 174.600 0.149 0.000 1.150 343 S CA -0.500 57.784 58.200 0.140 0.000 1.058 343 S CB 1.146 64.388 63.200 0.070 0.000 1.032 343 S HN 0.366 nan 8.310 nan 0.000 0.510 344 V N 4.941 124.941 119.914 0.142 0.000 2.540 344 V HA 0.523 4.643 4.120 -0.001 0.000 0.302 344 V C -0.694 175.485 176.094 0.142 0.000 1.035 344 V CA -0.763 61.638 62.300 0.167 0.000 0.873 344 V CB 1.566 33.546 31.823 0.261 0.000 0.992 344 V HN 0.784 nan 8.190 nan 0.000 0.428 345 I N 5.620 126.256 120.570 0.111 0.000 2.396 345 I HA 0.479 4.649 4.170 -0.001 0.000 0.292 345 I C -0.205 176.011 176.117 0.165 0.000 0.999 345 I CA 0.096 61.431 61.300 0.059 0.000 1.310 345 I CB 0.805 38.811 38.000 0.010 0.000 1.404 345 I HN 0.724 nan 8.210 nan 0.000 0.496 346 Y N 2.562 122.884 120.300 0.036 0.000 2.665 346 Y HA 0.899 5.449 4.550 -0.001 0.000 0.336 346 Y C -0.228 175.693 175.900 0.036 0.000 1.085 346 Y CA -1.197 56.939 58.100 0.059 0.000 1.096 346 Y CB 1.076 39.606 38.460 0.117 0.000 1.301 346 Y HN 0.553 nan 8.280 nan 0.000 0.493 347 T N -0.296 114.405 114.554 0.245 0.000 2.930 347 T HA 0.625 4.975 4.350 -0.001 0.000 0.290 347 T C -0.195 174.659 174.700 0.257 0.000 1.052 347 T CA -0.895 61.281 62.100 0.127 0.000 1.017 347 T CB 1.062 69.974 68.868 0.072 0.000 1.137 347 T HN 1.078 nan 8.240 nan 0.000 0.511 348 I N 0.202 120.866 120.570 0.156 0.000 2.872 348 I HA 0.214 4.384 4.170 -0.001 0.000 0.291 348 I C 1.506 177.693 176.117 0.117 0.000 1.216 348 I CA -0.829 60.565 61.300 0.157 0.000 1.424 348 I CB 0.267 38.325 38.000 0.096 0.000 1.351 348 I HN 0.911 nan 8.210 nan 0.000 0.592 349 C N 1.487 120.847 119.300 0.100 0.000 2.578 349 C HA 0.171 4.630 4.460 -0.001 0.000 0.285 349 C C 2.195 177.211 174.990 0.044 0.000 1.297 349 C CA 0.159 59.218 59.018 0.067 0.000 1.690 349 C CB -2.473 25.295 27.740 0.047 0.000 1.773 349 C HN 0.970 nan 8.230 nan 0.000 0.594 350 T N -1.534 113.047 114.554 0.044 0.000 2.951 350 T HA 0.069 4.419 4.350 -0.001 0.000 0.268 350 T C 0.592 175.308 174.700 0.027 0.000 1.073 350 T CA 0.494 62.612 62.100 0.031 0.000 1.134 350 T CB -0.290 68.596 68.868 0.030 0.000 0.884 350 T HN 0.332 nan 8.240 nan 0.000 0.479 351 L N 2.384 123.626 121.223 0.032 0.000 2.426 351 L HA 0.336 4.676 4.340 -0.001 0.000 0.271 351 L C 1.735 178.620 176.870 0.025 0.000 1.169 351 L CA -0.112 54.744 54.840 0.028 0.000 0.836 351 L CB 0.787 42.865 42.059 0.033 0.000 1.112 351 L HN 0.220 nan 8.230 nan 0.000 0.465 352 E N 1.433 121.643 120.200 0.018 0.000 2.070 352 E HA -0.213 4.137 4.350 -0.001 0.000 0.197 352 E C 0.475 177.083 176.600 0.014 0.000 1.004 352 E CA 1.862 58.270 56.400 0.013 0.000 0.805 352 E CB 0.186 29.892 29.700 0.010 0.000 0.744 352 E HN 0.605 nan 8.360 nan 0.000 0.451 353 D N -1.107 119.303 120.400 0.017 0.000 2.388 353 D HA 0.249 4.889 4.640 -0.001 0.000 0.221 353 D C 0.767 177.083 176.300 0.027 0.000 1.133 353 D CA 0.626 54.637 54.000 0.017 0.000 0.831 353 D CB 0.507 41.317 40.800 0.016 0.000 0.962 353 D HN 0.284 nan 8.370 nan 0.000 0.502 354 A N 0.060 122.901 122.820 0.035 0.000 1.930 354 A HA -0.022 4.298 4.320 -0.001 0.000 0.215 354 A C 2.106 179.722 177.584 0.054 0.000 1.176 354 A CA 0.537 52.608 52.037 0.058 0.000 0.632 354 A CB -0.336 18.708 19.000 0.073 0.000 0.819 354 A HN 0.244 nan 8.150 nan 0.000 0.445 355 L N -0.748 120.491 121.223 0.026 0.000 2.027 355 L HA -0.179 4.161 4.340 -0.001 0.000 0.206 355 L C 2.655 179.519 176.870 -0.009 0.000 1.074 355 L CA 2.045 56.885 54.840 -0.000 0.000 0.745 355 L CB -0.358 41.693 42.059 -0.013 0.000 0.898 355 L HN 0.458 nan 8.230 nan 0.000 0.433 356 K N 0.516 120.915 120.400 -0.002 0.000 2.032 356 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 356 K C 1.778 178.381 176.600 0.005 0.000 1.048 356 K CA 1.684 57.968 56.287 -0.005 0.000 0.927 356 K CB -0.093 32.406 32.500 -0.002 0.000 0.712 356 K HN 0.190 nan 8.250 nan 0.000 0.441 357 N N 0.406 119.119 118.700 0.022 0.000 2.166 357 N HA -0.108 4.632 4.740 -0.001 0.000 0.186 357 N C 1.610 177.152 175.510 0.053 0.000 1.019 357 N CA 1.414 54.486 53.050 0.036 0.000 0.856 357 N CB -0.511 38.005 38.487 0.049 0.000 0.993 357 N HN 0.368 nan 8.380 nan 0.000 0.426 358 A N 0.211 123.068 122.820 0.061 0.000 1.873 358 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 358 A C 2.482 180.075 177.584 0.015 0.000 1.186 358 A CA 1.859 53.943 52.037 0.078 0.000 0.616 358 A CB -0.981 18.046 19.000 0.044 0.000 0.823 358 A HN 0.300 nan 8.150 nan 0.000 0.442 359 S N -0.647 115.034 115.700 -0.030 0.000 2.370 359 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 359 S C 1.954 176.538 174.600 -0.028 0.000 1.033 359 S CA 1.743 59.909 58.200 -0.056 0.000 1.011 359 S CB -0.372 62.793 63.200 -0.059 0.000 0.852 359 S HN 0.642 nan 8.310 nan 0.000 0.457 360 E N 0.518 120.713 120.200 -0.008 0.000 2.077 360 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 360 E C 1.983 178.590 176.600 0.010 0.000 0.989 360 E CA 1.146 57.545 56.400 -0.002 0.000 0.800 360 E CB -0.174 29.527 29.700 0.002 0.000 0.746 360 E HN 0.481 nan 8.360 nan 0.000 0.452 361 N N 0.370 119.090 118.700 0.034 0.000 2.142 361 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 361 N C 2.003 177.551 175.510 0.063 0.000 1.023 361 N CA 0.830 53.914 53.050 0.056 0.000 0.852 361 N CB -0.374 38.172 38.487 0.097 0.000 0.998 361 N HN 0.006 nan 8.380 nan 0.000 0.424 362 V N 1.526 121.479 119.914 0.065 0.000 2.332 362 V HA -0.181 3.939 4.120 -0.001 0.000 0.248 362 V C 1.688 177.800 176.094 0.030 0.000 1.055 362 V CA 1.108 63.442 62.300 0.056 0.000 1.038 362 V CB -0.433 31.380 31.823 -0.017 0.000 0.651 362 V HN 0.323 nan 8.190 nan 0.000 0.450 366 A N 2.098 124.912 122.820 -0.010 0.000 1.902 366 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 366 A C 2.145 179.605 177.584 -0.208 0.000 1.181 366 A CA 2.140 54.213 52.037 0.061 0.000 0.623 366 A CB -0.653 18.486 19.000 0.232 0.000 0.818 366 A HN 0.380 nan 8.150 nan 0.000 0.443 367 R N -0.179 120.201 120.500 -0.200 0.000 2.091 367 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 367 R C 1.575 177.655 176.300 -0.367 0.000 1.136 367 R CA 1.833 57.752 56.100 -0.303 0.000 0.959 367 R CB -0.379 29.806 30.300 -0.193 0.000 0.856 367 R HN 0.566 nan 8.270 nan 0.000 0.437 368 N N 0.041 118.561 118.700 -0.301 0.000 2.300 368 N HA -0.095 4.645 4.740 -0.001 0.000 0.179 368 N C 1.838 177.113 175.510 -0.392 0.000 1.016 368 N CA 0.916 53.778 53.050 -0.313 0.000 0.876 368 N CB -0.000 38.326 38.487 -0.268 0.000 0.979 368 N HN 0.055 nan 8.380 nan 0.000 0.432 369 V N 1.927 121.584 119.914 -0.428 0.000 2.261 369 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 369 V C 2.526 178.369 176.094 -0.418 0.000 1.047 369 V CA 1.913 63.992 62.300 -0.367 0.000 1.015 369 V CB -0.924 30.815 31.823 -0.139 0.000 0.642 369 V HN 0.258 nan 8.190 nan 0.000 0.446 370 A N -0.029 122.301 122.820 -0.818 0.000 1.908 370 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 370 A C 2.415 179.481 177.584 -0.862 0.000 1.181 370 A CA 2.298 53.642 52.037 -1.155 0.000 0.627 370 A CB -0.859 17.179 19.000 -1.603 0.000 0.818 370 A HN 0.598 nan 8.150 nan 0.000 0.445 371 A N -1.186 121.265 122.820 -0.616 0.000 1.933 371 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 371 A C 2.295 179.696 177.584 -0.304 0.000 1.175 371 A CA 2.265 54.038 52.037 -0.441 0.000 0.628 371 A CB -1.146 17.666 19.000 -0.314 0.000 0.814 371 A HN 0.446 nan 8.150 nan 0.000 0.444 372 T N 0.418 114.818 114.554 -0.257 0.000 2.777 372 T HA -0.036 4.314 4.350 -0.001 0.000 0.266 372 T C 1.826 176.484 174.700 -0.070 0.000 1.040 372 T CA 1.311 63.330 62.100 -0.135 0.000 1.141 372 T CB -0.366 68.436 68.868 -0.110 0.000 0.868 372 T HN 0.357 nan 8.240 nan 0.000 0.444 373 L N 0.792 121.967 121.223 -0.080 0.000 2.012 373 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 373 L C 2.741 179.681 176.870 0.117 0.000 1.073 373 L CA 1.492 56.376 54.840 0.073 0.000 0.748 373 L CB -0.486 41.694 42.059 0.200 0.000 0.891 373 L HN 0.222 nan 8.230 nan 0.000 0.431 374 K N 0.243 120.588 120.400 -0.091 0.000 2.002 374 K HA -0.219 4.101 4.320 -0.001 0.000 0.209 374 K C 2.171 178.803 176.600 0.054 0.000 1.048 374 K CA 1.470 57.782 56.287 0.040 0.000 0.930 374 K CB -0.158 32.186 32.500 -0.259 0.000 0.714 374 K HN 0.267 nan 8.250 nan 0.000 0.438 375 A N 0.788 123.595 122.820 -0.022 0.000 1.917 375 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 375 A C 2.352 179.958 177.584 0.036 0.000 1.182 375 A CA 2.176 54.214 52.037 0.000 0.000 0.633 375 A CB -1.344 17.641 19.000 -0.026 0.000 0.819 375 A HN 0.593 nan 8.150 nan 0.000 0.448 376 G N -1.374 107.458 108.800 0.052 0.000 2.422 376 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.218 376 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.218 376 G C 1.573 176.523 174.900 0.083 0.000 1.146 376 G CA 0.915 46.056 45.100 0.068 0.000 0.769 376 G HN 0.635 nan 8.290 nan 0.000 0.547 377 Q N -0.046 119.825 119.800 0.117 0.000 2.135 377 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 377 Q C 2.593 178.643 176.000 0.082 0.000 0.981 377 Q CA 1.504 57.378 55.803 0.118 0.000 0.856 377 Q CB -0.087 28.758 28.738 0.178 0.000 0.902 377 Q HN 0.685 nan 8.270 nan 0.000 0.425 378 Q N -0.080 119.764 119.800 0.074 0.000 2.360 378 Q HA 0.109 4.448 4.340 -0.001 0.000 0.202 378 Q C 0.240 176.264 176.000 0.039 0.000 0.915 378 Q CA 0.057 55.892 55.803 0.053 0.000 0.943 378 Q CB 0.210 28.977 28.738 0.049 0.000 1.064 378 Q HN 0.337 nan 8.270 nan 0.000 0.511 379 L N 3.444 124.691 121.223 0.040 0.000 2.454 379 L HA 0.141 4.480 4.340 -0.001 0.000 0.284 379 L C 0.257 177.146 176.870 0.031 0.000 1.139 379 L CA -0.121 54.738 54.840 0.033 0.000 0.911 379 L CB -0.132 41.948 42.059 0.034 0.000 1.262 379 L HN -0.014 nan 8.230 nan 0.000 0.453 380 R N 0.000 120.516 120.500 0.026 0.000 2.786 380 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 380 R CA 0.000 56.114 56.100 0.024 0.000 0.921 380 R CB 0.000 30.313 30.300 0.021 0.000 0.687 380 R HN 0.000 nan 8.270 nan 0.000 0.535