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 3nxs_1_A DATA FIRST_RESID 6 DATA SEQUENCE NVHELAQSIR DGDRSALARA ITLVESTRAD HREQAQQLLL DLMPEAGSAM DATA SEQUENCE HVGITGVPGV GKSTTIEALG MHLIEAGHRV AVLAVDXXXX XXXXXXXXXX DATA SEQUENCE XRMARLAVHP DAYIRPSPTS GTLGGVAKAT RETIVLLEAA GYDVILVETV DATA SEQUENCE GVGQSEVTVA GMVDTFVFLT LARTGDQLQG IKKGVLELAD VIVVNKADGE DATA SEQUENCE HAVEAKAAAR ELSGAIRLIY PRESLWRPPV LTMSAVEGTG LPELWETVLR DATA SEQUENCE HREVLEEAGE FEARRRTQQV EWTWSMVRDA VLDRVMNHPE VRRIRDDVEQ DATA SEQUENCE RVRLGELTPA LAAQEILDAA Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.536 175.510 0.044 0.000 1.280 6 N CA 0.000 53.074 53.050 0.040 0.000 0.885 6 N CB 0.000 38.511 38.487 0.040 0.000 1.341 7 V N 2.011 121.960 119.914 0.058 0.000 2.255 7 V HA -0.207 3.911 4.120 -0.003 0.000 0.247 7 V C 2.365 178.504 176.094 0.076 0.000 1.051 7 V CA 2.658 64.994 62.300 0.061 0.000 1.018 7 V CB -0.965 30.898 31.823 0.067 0.000 0.641 7 V HN 0.565 nan 8.190 nan 0.000 0.445 8 H N 0.620 119.697 119.070 0.011 0.000 2.457 8 H HA -0.050 4.505 4.556 -0.003 0.000 0.294 8 H C 2.162 177.496 175.328 0.010 0.000 1.064 8 H CA 2.064 58.118 56.048 0.010 0.000 1.330 8 H CB -0.062 29.705 29.762 0.009 0.000 1.395 8 H HN 0.526 nan 8.280 nan 0.000 0.541 9 E N 0.656 120.816 120.200 -0.068 0.000 2.107 9 E HA -0.034 4.314 4.350 -0.003 0.000 0.191 9 E C 2.115 178.652 176.600 -0.105 0.000 0.982 9 E CA 0.958 57.293 56.400 -0.109 0.000 0.809 9 E CB -0.834 28.853 29.700 -0.022 0.000 0.756 9 E HN 0.448 nan 8.360 nan 0.000 0.459 10 L N 0.442 121.629 121.223 -0.061 0.000 2.083 10 L HA 0.150 4.488 4.340 -0.003 0.000 0.209 10 L C 2.739 179.572 176.870 -0.061 0.000 1.083 10 L CA 2.131 56.945 54.840 -0.044 0.000 0.752 10 L CB -0.652 41.397 42.059 -0.016 0.000 0.899 10 L HN 0.326 nan 8.230 nan 0.000 0.433 11 A N -1.120 121.648 122.820 -0.087 0.000 1.877 11 A HA -0.266 4.052 4.320 -0.003 0.000 0.216 11 A C 2.275 179.792 177.584 -0.110 0.000 1.186 11 A CA 1.765 53.753 52.037 -0.083 0.000 0.620 11 A CB -0.678 18.280 19.000 -0.069 0.000 0.822 11 A HN 0.528 nan 8.150 nan 0.000 0.443 12 Q N 0.245 119.928 119.800 -0.194 0.000 2.119 12 Q HA -0.079 4.259 4.340 -0.003 0.000 0.201 12 Q C 2.314 178.262 176.000 -0.086 0.000 0.972 12 Q CA 1.964 57.672 55.803 -0.159 0.000 0.847 12 Q CB -0.418 28.188 28.738 -0.221 0.000 0.903 12 Q HN 0.642 nan 8.270 nan 0.000 0.433 13 S N 0.002 115.657 115.700 -0.074 0.000 2.368 13 S HA -0.133 4.335 4.470 -0.003 0.000 0.225 13 S C 1.889 176.472 174.600 -0.028 0.000 1.030 13 S CA 1.316 59.491 58.200 -0.042 0.000 0.999 13 S CB -0.366 62.815 63.200 -0.033 0.000 0.844 13 S HN 0.381 nan 8.310 nan 0.000 0.459 14 I N 1.414 121.967 120.570 -0.028 0.000 2.127 14 I HA -0.240 3.928 4.170 -0.003 0.000 0.241 14 I C 2.759 178.867 176.117 -0.014 0.000 1.075 14 I CA 1.340 62.632 61.300 -0.014 0.000 1.334 14 I CB -0.362 37.631 38.000 -0.012 0.000 1.040 14 I HN 0.193 nan 8.210 nan 0.000 0.405 15 R N 0.582 121.068 120.500 -0.023 0.000 2.117 15 R HA -0.197 4.141 4.340 -0.003 0.000 0.243 15 R C 1.705 177.991 176.300 -0.022 0.000 1.143 15 R CA 1.696 57.784 56.100 -0.020 0.000 0.968 15 R CB -0.394 29.893 30.300 -0.023 0.000 0.863 15 R HN 0.395 nan 8.270 nan 0.000 0.444 16 D N -1.360 119.025 120.400 -0.025 0.000 2.312 16 D HA 0.001 4.639 4.640 -0.003 0.000 0.211 16 D C 1.141 177.429 176.300 -0.020 0.000 0.964 16 D CA 1.299 55.286 54.000 -0.022 0.000 0.877 16 D CB 0.247 41.034 40.800 -0.021 0.000 0.924 16 D HN 0.486 nan 8.370 nan 0.000 0.515 17 G N 1.042 109.831 108.800 -0.018 0.000 2.148 17 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.203 17 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.203 17 G C -0.118 174.783 174.900 0.002 0.000 0.993 17 G CA -0.065 45.026 45.100 -0.015 0.000 0.661 17 G HN 0.300 nan 8.290 nan 0.000 0.518 18 D N 0.551 120.952 120.400 0.002 0.000 2.349 18 D HA 0.220 4.858 4.640 -0.003 0.000 0.266 18 D C 1.768 178.083 176.300 0.025 0.000 1.293 18 D CA -0.280 53.726 54.000 0.010 0.000 0.926 18 D CB 0.307 41.107 40.800 0.001 0.000 1.090 18 D HN 0.476 nan 8.370 nan 0.000 0.502 19 R N 1.942 122.466 120.500 0.041 0.000 2.152 19 R HA -0.121 4.217 4.340 -0.003 0.000 0.232 19 R C 2.114 178.448 176.300 0.056 0.000 1.117 19 R CA 1.054 57.194 56.100 0.067 0.000 0.981 19 R CB -0.076 30.276 30.300 0.087 0.000 0.870 19 R HN 0.359 nan 8.270 nan 0.000 0.451 20 S N 0.548 116.270 115.700 0.037 0.000 2.406 20 S HA -0.050 4.418 4.470 -0.003 0.000 0.228 20 S C 2.055 176.665 174.600 0.017 0.000 1.020 20 S CA 0.940 59.156 58.200 0.027 0.000 0.965 20 S CB 0.038 63.248 63.200 0.018 0.000 0.798 20 S HN 0.393 nan 8.310 nan 0.000 0.488 21 A N 1.430 124.257 122.820 0.012 0.000 1.929 21 A HA 0.136 4.454 4.320 -0.003 0.000 0.216 21 A C 2.122 179.706 177.584 0.001 0.000 1.176 21 A CA 1.368 53.406 52.037 0.001 0.000 0.628 21 A CB -0.854 18.143 19.000 -0.006 0.000 0.816 21 A HN 0.572 nan 8.150 nan 0.000 0.444 22 L N 0.090 121.319 121.223 0.010 0.000 1.989 22 L HA -0.122 4.216 4.340 -0.003 0.000 0.211 22 L C 2.636 179.508 176.870 0.003 0.000 1.071 22 L CA 2.477 57.318 54.840 0.002 0.000 0.749 22 L CB -0.881 41.187 42.059 0.014 0.000 0.890 22 L HN 0.325 nan 8.230 nan 0.000 0.431 23 A N -0.752 122.087 122.820 0.033 0.000 1.933 23 A HA -0.223 4.095 4.320 -0.003 0.000 0.218 23 A C 2.508 180.099 177.584 0.012 0.000 1.175 23 A CA 1.708 53.771 52.037 0.044 0.000 0.628 23 A CB -0.616 18.421 19.000 0.061 0.000 0.814 23 A HN 0.507 nan 8.150 nan 0.000 0.444 24 R N -0.541 119.958 120.500 -0.001 0.000 2.080 24 R HA -0.131 4.207 4.340 -0.003 0.000 0.236 24 R C 2.400 178.678 176.300 -0.036 0.000 1.137 24 R CA 1.488 57.575 56.100 -0.023 0.000 0.943 24 R CB -0.400 29.888 30.300 -0.020 0.000 0.846 24 R HN 0.474 nan 8.270 nan 0.000 0.431 25 A N 0.537 123.342 122.820 -0.025 0.000 1.933 25 A HA -0.147 4.171 4.320 -0.003 0.000 0.218 25 A C 2.119 179.687 177.584 -0.026 0.000 1.175 25 A CA 1.292 53.314 52.037 -0.026 0.000 0.628 25 A CB -0.457 18.532 19.000 -0.018 0.000 0.814 25 A HN 0.338 nan 8.150 nan 0.000 0.444 26 I N -0.455 120.103 120.570 -0.020 0.000 2.252 26 I HA -0.201 3.967 4.170 -0.003 0.000 0.245 26 I C 2.504 178.615 176.117 -0.009 0.000 1.102 26 I CA 1.714 63.007 61.300 -0.011 0.000 1.385 26 I CB -0.359 37.645 38.000 0.007 0.000 1.064 26 I HN 0.271 nan 8.210 nan 0.000 0.414 27 T N 1.027 115.569 114.554 -0.021 0.000 2.788 27 T HA -0.170 4.178 4.350 -0.003 0.000 0.268 27 T C 1.839 176.489 174.700 -0.083 0.000 1.044 27 T CA 1.036 63.112 62.100 -0.041 0.000 1.139 27 T CB -0.312 68.524 68.868 -0.052 0.000 0.867 27 T HN 0.166 nan 8.240 nan 0.000 0.454 28 L N 2.200 123.362 121.223 -0.102 0.000 2.083 28 L HA -0.047 4.291 4.340 -0.003 0.000 0.209 28 L C 2.533 179.382 176.870 -0.035 0.000 1.083 28 L CA 1.441 56.203 54.840 -0.129 0.000 0.752 28 L CB -0.569 41.435 42.059 -0.092 0.000 0.899 28 L HN 0.296 nan 8.230 nan 0.000 0.433 29 V N -4.046 115.863 119.914 -0.008 0.000 2.951 29 V HA -0.049 4.069 4.120 -0.003 0.000 0.255 29 V C 1.950 178.063 176.094 0.032 0.000 1.088 29 V CA 1.262 63.577 62.300 0.024 0.000 1.109 29 V CB -0.738 31.103 31.823 0.029 0.000 0.724 29 V HN 0.492 nan 8.190 nan 0.000 0.471 30 E N 1.268 121.479 120.200 0.018 0.000 2.482 30 E HA 0.087 4.435 4.350 -0.003 0.000 0.196 30 E C 1.174 177.796 176.600 0.036 0.000 1.047 30 E CA 0.432 56.848 56.400 0.026 0.000 0.869 30 E CB 0.158 29.868 29.700 0.018 0.000 0.836 30 E HN 0.634 nan 8.360 nan 0.000 0.520 31 S N -0.362 115.363 115.700 0.042 0.000 2.580 31 S HA 0.043 4.511 4.470 -0.003 0.000 0.274 31 S C 1.017 175.680 174.600 0.105 0.000 1.329 31 S CA -0.157 58.097 58.200 0.090 0.000 1.036 31 S CB 1.441 64.728 63.200 0.146 0.000 0.919 31 S HN 0.100 nan 8.310 nan 0.000 0.515 32 T N 2.670 117.284 114.554 0.101 0.000 3.044 32 T HA 0.238 4.587 4.350 -0.003 0.000 0.250 32 T C 1.010 175.740 174.700 0.050 0.000 1.081 32 T CA 0.699 62.837 62.100 0.065 0.000 1.040 32 T CB -0.382 68.514 68.868 0.046 0.000 0.962 32 T HN 0.829 nan 8.240 nan 0.000 0.506 33 R N 0.219 120.758 120.500 0.064 0.000 2.679 33 R HA 0.813 5.151 4.340 -0.003 0.000 0.269 33 R C 1.561 177.834 176.300 -0.046 0.000 1.076 33 R CA 0.303 56.382 56.100 -0.034 0.000 1.160 33 R CB -0.501 29.694 30.300 -0.174 0.000 1.054 33 R HN 0.374 nan 8.270 nan 0.000 0.507 34 A N 0.254 123.028 122.820 -0.076 0.000 2.081 34 A HA 0.032 4.350 4.320 -0.003 0.000 0.214 34 A C 1.555 179.104 177.584 -0.058 0.000 1.158 34 A CA 1.169 53.177 52.037 -0.048 0.000 0.724 34 A CB -0.064 18.911 19.000 -0.042 0.000 0.826 34 A HN 0.910 nan 8.150 nan 0.000 0.463 35 D N -0.295 120.031 120.400 -0.124 0.000 2.144 35 D HA -0.178 4.460 4.640 -0.003 0.000 0.200 35 D C 1.425 177.709 176.300 -0.027 0.000 0.978 35 D CA 1.817 55.751 54.000 -0.111 0.000 0.833 35 D CB -0.925 39.776 40.800 -0.165 0.000 0.961 35 D HN 0.708 nan 8.370 nan 0.000 0.470 36 H N -0.045 119.028 119.070 0.005 0.000 2.363 36 H HA 0.195 4.749 4.556 -0.003 0.000 0.301 36 H C 2.247 177.580 175.328 0.008 0.000 1.074 36 H CA 0.686 56.739 56.048 0.008 0.000 1.354 36 H CB 0.195 29.963 29.762 0.010 0.000 1.397 36 H HN -0.023 nan 8.280 nan 0.000 0.516 37 R N 0.520 121.092 120.500 0.122 0.000 2.096 37 R HA -0.190 4.148 4.340 -0.003 0.000 0.240 37 R C 2.838 179.162 176.300 0.041 0.000 1.139 37 R CA 1.878 58.017 56.100 0.064 0.000 0.952 37 R CB -0.335 29.986 30.300 0.034 0.000 0.854 37 R HN 0.533 nan 8.270 nan 0.000 0.436 38 E N 1.102 121.318 120.200 0.027 0.000 2.110 38 E HA -0.252 4.096 4.350 -0.003 0.000 0.193 38 E C 1.822 178.439 176.600 0.029 0.000 0.988 38 E CA 1.554 57.963 56.400 0.015 0.000 0.804 38 E CB -0.532 29.170 29.700 0.004 0.000 0.745 38 E HN 0.561 nan 8.360 nan 0.000 0.458 39 Q N -0.714 119.117 119.800 0.052 0.000 2.079 39 Q HA 0.038 4.377 4.340 -0.003 0.000 0.200 39 Q C 2.655 178.685 176.000 0.050 0.000 0.974 39 Q CA 1.400 57.238 55.803 0.059 0.000 0.840 39 Q CB -0.216 28.576 28.738 0.091 0.000 0.898 39 Q HN 0.605 nan 8.270 nan 0.000 0.430 40 A N 0.711 123.564 122.820 0.055 0.000 1.883 40 A HA -0.249 4.069 4.320 -0.003 0.000 0.217 40 A C 2.025 179.632 177.584 0.039 0.000 1.186 40 A CA 1.436 53.500 52.037 0.045 0.000 0.624 40 A CB -0.442 18.589 19.000 0.052 0.000 0.822 40 A HN 0.264 nan 8.150 nan 0.000 0.444 41 Q N -0.745 119.073 119.800 0.030 0.000 2.172 41 Q HA -0.127 4.211 4.340 -0.003 0.000 0.200 41 Q C 2.181 178.193 176.000 0.020 0.000 0.964 41 Q CA 1.148 56.962 55.803 0.018 0.000 0.855 41 Q CB -0.403 28.332 28.738 -0.004 0.000 0.918 41 Q HN 0.659 nan 8.270 nan 0.000 0.444 42 Q N 0.525 120.339 119.800 0.023 0.000 2.046 42 Q HA -0.098 4.240 4.340 -0.003 0.000 0.200 42 Q C 2.241 178.264 176.000 0.039 0.000 0.975 42 Q CA 0.681 56.501 55.803 0.027 0.000 0.836 42 Q CB -0.636 28.119 28.738 0.029 0.000 0.896 42 Q HN 0.281 nan 8.270 nan 0.000 0.428 43 L N 0.663 121.911 121.223 0.041 0.000 2.013 43 L HA -0.197 4.141 4.340 -0.003 0.000 0.212 43 L C 2.151 179.047 176.870 0.043 0.000 1.073 43 L CA 1.668 56.533 54.840 0.042 0.000 0.753 43 L CB -0.745 41.334 42.059 0.032 0.000 0.890 43 L HN 0.177 nan 8.230 nan 0.000 0.432 44 L N -1.486 119.762 121.223 0.042 0.000 2.131 44 L HA -0.229 4.109 4.340 -0.003 0.000 0.210 44 L C 2.520 179.418 176.870 0.046 0.000 1.092 44 L CA 0.981 55.850 54.840 0.048 0.000 0.759 44 L CB -0.523 41.571 42.059 0.058 0.000 0.903 44 L HN 0.339 nan 8.230 nan 0.000 0.435 45 L N -0.563 120.683 121.223 0.038 0.000 1.994 45 L HA -0.253 4.085 4.340 -0.003 0.000 0.208 45 L C 2.465 179.362 176.870 0.044 0.000 1.071 45 L CA 1.411 56.272 54.840 0.034 0.000 0.745 45 L CB -0.602 41.471 42.059 0.022 0.000 0.892 45 L HN 0.364 nan 8.230 nan 0.000 0.431 46 D N 0.562 120.996 120.400 0.057 0.000 2.116 46 D HA -0.201 4.437 4.640 -0.003 0.000 0.193 46 D C 2.020 178.363 176.300 0.073 0.000 0.998 46 D CA 1.400 55.450 54.000 0.084 0.000 0.836 46 D CB 0.014 40.888 40.800 0.122 0.000 0.951 46 D HN 0.260 nan 8.370 nan 0.000 0.449 47 L N 0.515 121.773 121.223 0.058 0.000 2.650 47 L HA -0.025 4.313 4.340 -0.003 0.000 0.235 47 L C 2.142 179.044 176.870 0.053 0.000 1.149 47 L CA -0.357 54.514 54.840 0.051 0.000 0.887 47 L CB -0.181 41.903 42.059 0.042 0.000 1.021 47 L HN 0.043 nan 8.230 nan 0.000 0.441 48 M N 1.084 120.715 119.600 0.052 0.000 2.144 48 M HA -0.121 4.358 4.480 -0.003 0.000 0.260 48 M C -0.651 175.680 176.300 0.052 0.000 1.067 48 M CA 2.156 57.487 55.300 0.052 0.000 1.095 48 M CB -0.938 31.688 32.600 0.044 0.000 1.365 48 M HN -0.002 nan 8.290 nan 0.000 0.406 49 P HA -0.074 nan 4.420 nan 0.000 0.221 49 P C 0.718 178.048 177.300 0.050 0.000 1.150 49 P CA 1.182 64.310 63.100 0.046 0.000 0.800 49 P CB 0.008 31.733 31.700 0.042 0.000 0.787 50 E N -0.340 119.892 120.200 0.053 0.000 2.318 50 E HA 0.151 4.499 4.350 -0.003 0.000 0.193 50 E C 0.900 177.544 176.600 0.074 0.000 0.998 50 E CA 0.046 56.480 56.400 0.057 0.000 0.859 50 E CB -0.682 29.049 29.700 0.050 0.000 0.812 50 E HN 0.116 nan 8.360 nan 0.000 0.492 51 A N 0.390 123.256 122.820 0.077 0.000 2.548 51 A HA 0.406 4.724 4.320 -0.003 0.000 0.247 51 A C 1.353 179.004 177.584 0.113 0.000 1.067 51 A CA 0.876 52.971 52.037 0.097 0.000 0.757 51 A CB -0.501 18.553 19.000 0.089 0.000 0.996 51 A HN 0.405 nan 8.150 nan 0.000 0.504 52 G N 1.223 110.119 108.800 0.160 0.000 2.195 52 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.224 52 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.224 52 G C 1.156 176.109 174.900 0.089 0.000 0.990 52 G CA 0.890 46.074 45.100 0.140 0.000 0.639 52 G HN 2.061 nan 8.290 nan 0.000 0.514 53 S N -0.282 115.481 115.700 0.104 0.000 2.607 53 S HA 0.663 5.131 4.470 -0.003 0.000 0.224 53 S C 1.120 175.766 174.600 0.076 0.000 0.969 53 S CA 1.283 59.531 58.200 0.079 0.000 0.927 53 S CB 0.283 63.526 63.200 0.072 0.000 0.772 53 S HN 1.891 nan 8.310 nan 0.000 0.533 54 A N 1.457 124.332 122.820 0.092 0.000 2.311 54 A HA 0.752 5.070 4.320 -0.003 0.000 0.334 54 A C 0.136 177.711 177.584 -0.014 0.000 1.139 54 A CA -0.989 51.110 52.037 0.102 0.000 0.830 54 A CB 0.554 19.679 19.000 0.208 0.000 1.234 54 A HN 0.449 nan 8.150 nan 0.000 0.483 55 M N 1.601 121.230 119.600 0.047 0.000 2.248 55 M HA 0.117 4.595 4.480 -0.003 0.000 0.345 55 M C -0.602 175.785 176.300 0.144 0.000 1.243 55 M CA 1.018 56.348 55.300 0.050 0.000 1.090 55 M CB -0.041 32.639 32.600 0.132 0.000 1.683 55 M HN 0.700 nan 8.290 nan 0.000 0.450 56 H N 1.460 120.622 119.070 0.153 0.000 2.551 56 H HA 0.547 5.101 4.556 -0.003 0.000 0.321 56 H C -1.092 174.308 175.328 0.120 0.000 1.028 56 H CA -1.058 55.055 56.048 0.108 0.000 1.215 56 H CB 1.119 30.920 29.762 0.065 0.000 1.414 56 H HN 0.365 nan 8.280 nan 0.000 0.480 57 V N 2.985 123.039 119.914 0.233 0.000 2.483 57 V HA 0.428 4.546 4.120 -0.003 0.000 0.297 57 V C 0.600 176.771 176.094 0.128 0.000 1.027 57 V CA -0.940 61.469 62.300 0.182 0.000 0.855 57 V CB 1.762 33.714 31.823 0.216 0.000 0.995 57 V HN 0.949 nan 8.190 nan 0.000 0.424 58 G N 4.623 113.494 108.800 0.119 0.000 2.400 58 G HA2 0.754 4.712 3.960 -0.003 0.000 0.301 58 G HA3 0.754 4.712 3.960 -0.003 0.000 0.301 58 G C -0.728 174.059 174.900 -0.190 0.000 1.154 58 G CA -0.460 44.667 45.100 0.045 0.000 0.852 58 G HN 0.622 nan 8.290 nan 0.000 0.511 59 I N 1.170 121.620 120.570 -0.200 0.000 2.500 59 I HA 0.321 4.489 4.170 -0.003 0.000 0.286 59 I C -0.309 175.691 176.117 -0.195 0.000 1.063 59 I CA -0.500 60.672 61.300 -0.213 0.000 1.062 59 I CB 2.217 40.171 38.000 -0.077 0.000 1.223 59 I HN 0.465 nan 8.210 nan 0.000 0.435 60 T N 3.633 118.043 114.554 -0.239 0.000 2.916 60 T HA 0.933 5.281 4.350 -0.003 0.000 0.292 60 T C -0.511 174.259 174.700 0.116 0.000 1.064 60 T CA -0.497 61.583 62.100 -0.032 0.000 1.011 60 T CB 2.261 71.140 68.868 0.019 0.000 1.152 60 T HN 0.980 nan 8.240 nan 0.000 0.510 61 G N 0.819 109.710 108.800 0.151 0.000 2.377 61 G HA2 0.459 4.417 3.960 -0.003 0.000 0.297 61 G HA3 0.459 4.417 3.960 -0.003 0.000 0.297 61 G C -0.704 174.261 174.900 0.108 0.000 1.547 61 G CA -0.103 45.081 45.100 0.140 0.000 0.833 61 G HN 1.212 nan 8.290 nan 0.000 0.583 62 V N -0.915 119.059 119.914 0.100 0.000 3.051 62 V HA 0.624 4.742 4.120 -0.003 0.000 0.306 62 V C -1.948 174.164 176.094 0.031 0.000 1.083 62 V CA -1.542 60.800 62.300 0.069 0.000 1.104 62 V CB 0.494 32.358 31.823 0.069 0.000 1.027 62 V HN 0.569 nan 8.190 nan 0.000 0.483 63 P HA 0.276 nan 4.420 nan 0.000 0.265 63 P C 0.985 178.284 177.300 -0.001 0.000 1.187 63 P CA 1.765 64.871 63.100 0.010 0.000 0.766 63 P CB 0.540 32.246 31.700 0.011 0.000 0.820 64 G N 1.223 110.017 108.800 -0.010 0.000 2.199 64 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.254 64 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.254 64 G C 1.009 175.891 174.900 -0.030 0.000 0.982 64 G CA 0.164 45.252 45.100 -0.020 0.000 0.632 64 G HN 0.516 nan 8.290 nan 0.000 0.529 65 V N 0.658 120.554 119.914 -0.030 0.000 2.515 65 V HA 0.366 4.484 4.120 -0.003 0.000 0.250 65 V C 2.136 178.202 176.094 -0.045 0.000 1.058 65 V CA 3.377 65.649 62.300 -0.047 0.000 1.064 65 V CB -0.213 31.574 31.823 -0.059 0.000 0.675 65 V HN 2.293 nan 8.190 nan 0.000 0.461 66 G N -0.363 108.417 108.800 -0.034 0.000 2.151 66 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.156 66 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.156 66 G C 0.693 175.575 174.900 -0.029 0.000 1.017 66 G CA 0.537 45.618 45.100 -0.031 0.000 0.686 66 G HN 0.480 nan 8.290 nan 0.000 0.503 67 K N 0.544 120.929 120.400 -0.026 0.000 2.025 67 K HA -0.013 4.305 4.320 -0.003 0.000 0.207 67 K C 2.645 179.233 176.600 -0.020 0.000 1.049 67 K CA 1.965 58.238 56.287 -0.023 0.000 0.933 67 K CB -0.286 32.204 32.500 -0.017 0.000 0.714 67 K HN 0.303 nan 8.250 nan 0.000 0.438 68 S N 0.342 116.032 115.700 -0.017 0.000 2.365 68 S HA -0.159 4.309 4.470 -0.003 0.000 0.225 68 S C 1.932 176.522 174.600 -0.017 0.000 1.039 68 S CA 2.008 60.198 58.200 -0.017 0.000 1.033 68 S CB -0.654 62.537 63.200 -0.016 0.000 0.887 68 S HN 0.472 nan 8.310 nan 0.000 0.447 69 T N 1.917 116.461 114.554 -0.017 0.000 2.720 69 T HA -0.109 4.239 4.350 -0.003 0.000 0.268 69 T C 2.054 176.744 174.700 -0.018 0.000 1.037 69 T CA 1.797 63.887 62.100 -0.016 0.000 1.144 69 T CB -0.772 68.085 68.868 -0.017 0.000 0.864 69 T HN 0.435 nan 8.240 nan 0.000 0.444 70 T N 1.939 116.481 114.554 -0.020 0.000 2.737 70 T HA 0.070 4.418 4.350 -0.003 0.000 0.265 70 T C 2.011 176.700 174.700 -0.020 0.000 1.038 70 T CA 0.853 62.941 62.100 -0.021 0.000 1.144 70 T CB -0.405 68.449 68.868 -0.024 0.000 0.866 70 T HN 0.295 nan 8.240 nan 0.000 0.434 71 I N 0.845 121.403 120.570 -0.019 0.000 2.286 71 I HA -0.168 4.000 4.170 -0.003 0.000 0.248 71 I C 2.733 178.835 176.117 -0.025 0.000 1.115 71 I CA 1.338 62.626 61.300 -0.020 0.000 1.392 71 I CB -0.284 37.705 38.000 -0.018 0.000 1.065 71 I HN 0.353 nan 8.210 nan 0.000 0.418 72 E N 1.086 121.274 120.200 -0.020 0.000 2.051 72 E HA -0.250 4.098 4.350 -0.003 0.000 0.192 72 E C 2.275 178.866 176.600 -0.016 0.000 0.991 72 E CA 1.383 57.772 56.400 -0.018 0.000 0.799 72 E CB -0.031 29.662 29.700 -0.012 0.000 0.748 72 E HN 0.488 nan 8.360 nan 0.000 0.449 73 A N 0.971 123.782 122.820 -0.014 0.000 1.898 73 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 73 A C 2.120 179.698 177.584 -0.009 0.000 1.181 73 A CA 1.190 53.222 52.037 -0.008 0.000 0.620 73 A CB -0.625 18.367 19.000 -0.014 0.000 0.819 73 A HN 0.378 nan 8.150 nan 0.000 0.442 74 L N 0.210 121.415 121.223 -0.029 0.000 2.083 74 L HA 0.008 4.346 4.340 -0.003 0.000 0.209 74 L C 2.345 179.165 176.870 -0.083 0.000 1.083 74 L CA 2.233 57.041 54.840 -0.052 0.000 0.752 74 L CB -1.123 40.909 42.059 -0.045 0.000 0.899 74 L HN 0.297 nan 8.230 nan 0.000 0.433 75 G N -0.700 108.056 108.800 -0.074 0.000 2.433 75 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.216 75 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.216 75 G C 1.475 176.316 174.900 -0.098 0.000 1.186 75 G CA 1.047 46.092 45.100 -0.092 0.000 0.779 75 G HN 0.298 nan 8.290 nan 0.000 0.543 76 M N 0.285 119.848 119.600 -0.061 0.000 2.108 76 M HA -0.068 4.410 4.480 -0.003 0.000 0.261 76 M C 2.167 178.436 176.300 -0.052 0.000 1.066 76 M CA 1.548 56.810 55.300 -0.062 0.000 1.107 76 M CB -1.442 31.151 32.600 -0.011 0.000 1.356 76 M HN 0.528 nan 8.290 nan 0.000 0.406 77 H N 0.250 119.252 119.070 -0.113 0.000 2.421 77 H HA -0.026 4.527 4.556 -0.004 0.000 0.298 77 H C 1.902 177.135 175.328 -0.158 0.000 1.087 77 H CA 1.557 57.538 56.048 -0.112 0.000 1.330 77 H CB 0.047 29.748 29.762 -0.103 0.000 1.388 77 H HN 0.309 nan 8.280 nan 0.000 0.526 78 L N -0.527 120.577 121.223 -0.199 0.000 2.131 78 L HA -0.041 4.297 4.340 -0.003 0.000 0.206 78 L C 2.321 179.111 176.870 -0.133 0.000 1.087 78 L CA 0.731 55.429 54.840 -0.236 0.000 0.767 78 L CB -0.185 41.645 42.059 -0.382 0.000 0.917 78 L HN 0.321 nan 8.230 nan 0.000 0.441 79 I N 0.044 120.515 120.570 -0.165 0.000 2.226 79 I HA -0.281 3.887 4.170 -0.003 0.000 0.245 79 I C 2.312 178.322 176.117 -0.177 0.000 1.100 79 I CA 1.345 62.526 61.300 -0.198 0.000 1.374 79 I CB -0.196 37.570 38.000 -0.389 0.000 1.057 79 I HN 0.268 nan 8.210 nan 0.000 0.413 80 E N 0.757 120.853 120.200 -0.173 0.000 2.153 80 E HA -0.183 4.165 4.350 -0.003 0.000 0.194 80 E C 1.964 178.458 176.600 -0.176 0.000 0.988 80 E CA 1.177 57.490 56.400 -0.144 0.000 0.811 80 E CB -0.139 29.483 29.700 -0.129 0.000 0.746 80 E HN 0.508 nan 8.360 nan 0.000 0.466 81 A N -0.140 122.533 122.820 -0.244 0.000 2.278 81 A HA 0.310 4.629 4.320 -0.003 0.000 0.212 81 A C 1.594 178.997 177.584 -0.300 0.000 1.213 81 A CA 0.708 52.594 52.037 -0.251 0.000 0.840 81 A CB -0.253 18.591 19.000 -0.260 0.000 0.866 81 A HN 0.320 nan 8.150 nan 0.000 0.489 82 G N -1.326 107.327 108.800 -0.246 0.000 2.157 82 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.239 82 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.239 82 G C 0.151 174.892 174.900 -0.265 0.000 0.982 82 G CA 0.219 45.176 45.100 -0.239 0.000 0.650 82 G HN 0.647 nan 8.290 nan 0.000 0.527 83 H N 0.301 119.315 119.070 -0.092 0.000 2.546 83 H HA 0.533 5.087 4.556 -0.003 0.000 0.365 83 H C 0.811 176.100 175.328 -0.064 0.000 1.220 83 H CA 0.062 56.069 56.048 -0.068 0.000 1.386 83 H CB 0.600 30.309 29.762 -0.089 0.000 1.510 83 H HN 0.320 nan 8.280 nan 0.000 0.591 84 R N 0.820 121.396 120.500 0.126 0.000 2.437 84 R HA 0.474 4.813 4.340 -0.003 0.000 0.310 84 R C -1.066 175.396 176.300 0.269 0.000 0.955 84 R CA -0.798 55.363 56.100 0.102 0.000 0.851 84 R CB 1.817 32.057 30.300 -0.100 0.000 1.161 84 R HN 0.179 nan 8.270 nan 0.000 0.446 85 V N 1.993 122.082 119.914 0.292 0.000 2.448 85 V HA 0.641 4.760 4.120 -0.003 0.000 0.295 85 V C -0.200 175.988 176.094 0.156 0.000 1.025 85 V CA -0.839 61.570 62.300 0.182 0.000 0.859 85 V CB 1.672 33.511 31.823 0.026 0.000 0.988 85 V HN 0.922 nan 8.190 nan 0.000 0.431 86 A N 4.344 127.190 122.820 0.042 0.000 2.337 86 A HA 0.901 5.219 4.320 -0.003 0.000 0.329 86 A C -0.875 176.711 177.584 0.002 0.000 1.146 86 A CA -0.594 51.402 52.037 -0.068 0.000 0.800 86 A CB 1.709 20.545 19.000 -0.274 0.000 1.220 86 A HN 0.690 nan 8.150 nan 0.000 0.472 87 V N 3.287 123.213 119.914 0.019 0.000 2.444 87 V HA 0.458 4.576 4.120 -0.003 0.000 0.294 87 V C -0.507 175.596 176.094 0.015 0.000 1.022 87 V CA -0.179 62.125 62.300 0.006 0.000 0.850 87 V CB 1.001 32.815 31.823 -0.014 0.000 0.992 87 V HN 0.751 nan 8.190 nan 0.000 0.426 88 L N 3.987 125.215 121.223 0.009 0.000 2.346 88 L HA 0.915 5.253 4.340 -0.003 0.000 0.274 88 L C 0.178 177.046 176.870 -0.003 0.000 1.007 88 L CA -0.686 54.158 54.840 0.007 0.000 0.818 88 L CB 2.042 44.099 42.059 -0.004 0.000 1.284 88 L HN 0.688 nan 8.230 nan 0.000 0.424 89 A N 2.525 125.343 122.820 -0.004 0.000 2.324 89 A HA 0.767 5.085 4.320 -0.003 0.000 0.330 89 A C -0.622 176.960 177.584 -0.002 0.000 1.165 89 A CA -0.484 51.552 52.037 -0.002 0.000 0.813 89 A CB 1.484 20.482 19.000 -0.004 0.000 1.197 89 A HN 0.425 nan 8.150 nan 0.000 0.484 90 V N 4.073 123.989 119.914 0.003 0.000 2.289 90 V HA 0.361 4.479 4.120 -0.003 0.000 0.272 90 V C -0.852 175.250 176.094 0.014 0.000 1.026 90 V CA -0.353 61.948 62.300 0.003 0.000 0.807 90 V CB 0.503 32.325 31.823 -0.002 0.000 1.044 90 V HN 0.961 nan 8.190 nan 0.000 0.443 108 M N 1.901 121.487 119.600 -0.023 0.000 2.808 108 M HA 0.378 4.857 4.480 -0.003 0.000 0.225 108 M C 0.645 176.937 176.300 -0.014 0.000 1.103 108 M CA -0.230 55.059 55.300 -0.019 0.000 0.982 108 M CB 1.851 34.437 32.600 -0.022 0.000 1.314 108 M HN 0.431 nan 8.290 nan 0.000 0.505 109 A N 1.745 124.559 122.820 -0.010 0.000 1.884 109 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 109 A C 2.198 179.784 177.584 0.005 0.000 1.197 109 A CA 1.907 53.941 52.037 -0.006 0.000 0.637 109 A CB -0.334 18.663 19.000 -0.005 0.000 0.827 109 A HN 0.716 nan 8.150 nan 0.000 0.450 110 R N -1.620 118.887 120.500 0.011 0.000 2.096 110 R HA -0.164 4.174 4.340 -0.003 0.000 0.240 110 R C 2.049 178.378 176.300 0.048 0.000 1.139 110 R CA 1.687 57.804 56.100 0.029 0.000 0.952 110 R CB -0.431 29.885 30.300 0.026 0.000 0.854 110 R HN 0.455 nan 8.270 nan 0.000 0.436 111 L N -0.264 120.976 121.223 0.028 0.000 2.179 111 L HA 0.066 4.404 4.340 -0.003 0.000 0.208 111 L C 2.113 179.006 176.870 0.038 0.000 1.096 111 L CA 1.516 56.377 54.840 0.035 0.000 0.779 111 L CB -0.541 41.518 42.059 -0.000 0.000 0.922 111 L HN 0.128 nan 8.230 nan 0.000 0.443 112 A N -1.001 121.823 122.820 0.006 0.000 2.067 112 A HA -0.110 4.208 4.320 -0.003 0.000 0.219 112 A C 2.095 179.682 177.584 0.005 0.000 1.158 112 A CA 1.650 53.677 52.037 -0.018 0.000 0.661 112 A CB -0.808 18.169 19.000 -0.037 0.000 0.801 112 A HN 0.372 nan 8.150 nan 0.000 0.452 113 V N -3.964 115.966 119.914 0.026 0.000 3.506 113 V HA 0.134 4.252 4.120 -0.003 0.000 0.263 113 V C 0.900 177.015 176.094 0.034 0.000 1.203 113 V CA 0.255 62.565 62.300 0.017 0.000 1.133 113 V CB -0.971 30.850 31.823 -0.004 0.000 0.802 113 V HN 0.546 nan 8.190 nan 0.000 0.459 114 H N 2.313 121.388 119.070 0.008 0.000 2.803 114 H HA 0.282 4.835 4.556 -0.004 0.000 0.330 114 H C -1.820 173.533 175.328 0.043 0.000 1.057 114 H CA -1.463 54.597 56.048 0.021 0.000 1.458 114 H CB 2.039 31.814 29.762 0.021 0.000 1.470 114 H HN 0.193 nan 8.280 nan 0.000 0.560 115 P HA -0.062 nan 4.420 nan 0.000 0.223 115 P C 0.279 177.744 177.300 0.274 0.000 1.151 115 P CA 0.946 64.141 63.100 0.159 0.000 0.787 115 P CB 0.464 32.190 31.700 0.044 0.000 0.788 116 D N -0.971 119.697 120.400 0.447 0.000 2.358 116 D HA 0.271 4.909 4.640 -0.003 0.000 0.224 116 D C 0.443 176.890 176.300 0.246 0.000 1.123 116 D CA 0.147 54.293 54.000 0.244 0.000 0.833 116 D CB 0.203 41.072 40.800 0.115 0.000 0.946 116 D HN 0.094 nan 8.370 nan 0.000 0.505 117 A N 0.488 123.478 122.820 0.282 0.000 2.374 117 A HA 0.582 4.900 4.320 -0.003 0.000 0.317 117 A C -1.567 176.167 177.584 0.251 0.000 1.094 117 A CA -0.697 51.476 52.037 0.226 0.000 0.765 117 A CB 1.686 20.741 19.000 0.092 0.000 1.268 117 A HN 0.131 nan 8.150 nan 0.000 0.438 118 Y N 1.345 121.625 120.300 -0.033 0.000 2.361 118 Y HA 0.714 5.264 4.550 0.000 0.000 0.337 118 Y C -1.229 174.586 175.900 -0.143 0.000 0.965 118 Y CA -0.724 57.277 58.100 -0.166 0.000 1.091 118 Y CB 1.414 39.542 38.460 -0.554 0.000 1.182 118 Y HN 0.541 nan 8.280 nan 0.000 0.450 119 I N 7.127 127.276 120.570 -0.703 0.000 2.439 119 I HA 0.465 4.633 4.170 -0.003 0.000 0.285 119 I C -0.923 174.858 176.117 -0.560 0.000 1.021 119 I CA -0.616 60.421 61.300 -0.439 0.000 1.091 119 I CB 1.543 39.407 38.000 -0.226 0.000 1.242 119 I HN 0.537 nan 8.210 nan 0.000 0.439 120 R N 8.237 128.569 120.500 -0.280 0.000 2.480 120 R HA 0.561 4.899 4.340 -0.003 0.000 0.306 120 R C -2.715 173.551 176.300 -0.057 0.000 0.958 120 R CA -1.579 54.443 56.100 -0.130 0.000 0.861 120 R CB 2.089 32.442 30.300 0.088 0.000 1.171 120 R HN 0.273 nan 8.270 nan 0.000 0.445 121 P HA -0.002 nan 4.420 nan 0.000 0.273 121 P C -0.389 176.905 177.300 -0.010 0.000 1.250 121 P CA -0.293 62.789 63.100 -0.030 0.000 0.793 121 P CB 0.671 32.354 31.700 -0.029 0.000 1.011 122 S N 1.289 116.985 115.700 -0.006 0.000 2.552 122 S HA 0.161 4.629 4.470 -0.003 0.000 0.289 122 S C -1.899 172.704 174.600 0.004 0.000 1.304 122 S CA -0.898 57.302 58.200 0.001 0.000 1.063 122 S CB -0.870 62.331 63.200 0.002 0.000 0.848 122 S HN 0.266 nan 8.310 nan 0.000 0.499 123 P HA 0.243 nan 4.420 nan 0.000 0.272 123 P C -0.142 177.165 177.300 0.013 0.000 1.223 123 P CA -0.197 62.910 63.100 0.012 0.000 0.784 123 P CB -0.067 31.642 31.700 0.016 0.000 0.923 124 T N 0.255 114.817 114.554 0.014 0.000 2.928 124 T HA 0.146 4.494 4.350 -0.003 0.000 0.305 124 T C 0.517 175.228 174.700 0.018 0.000 1.035 124 T CA 0.210 62.319 62.100 0.014 0.000 1.145 124 T CB -0.268 68.608 68.868 0.014 0.000 0.963 124 T HN 0.275 nan 8.240 nan 0.000 0.545 125 S N 2.516 118.227 115.700 0.018 0.000 2.405 125 S HA 0.453 4.922 4.470 -0.003 0.000 0.291 125 S C 1.726 176.340 174.600 0.023 0.000 1.137 125 S CA -0.170 58.043 58.200 0.021 0.000 1.061 125 S CB -0.052 63.159 63.200 0.019 0.000 1.001 125 S HN 0.873 nan 8.310 nan 0.000 0.507 126 G N 3.704 112.521 108.800 0.028 0.000 2.421 126 G HA2 0.356 4.314 3.960 -0.003 0.000 0.216 126 G HA3 0.356 4.314 3.960 -0.003 0.000 0.216 126 G C 0.753 175.670 174.900 0.028 0.000 1.171 126 G CA 1.204 46.321 45.100 0.028 0.000 0.775 126 G HN 1.113 nan 8.290 nan 0.000 0.543 127 T N -1.906 112.667 114.554 0.032 0.000 2.693 127 T HA 0.474 4.822 4.350 -0.003 0.000 0.304 127 T C 0.708 175.429 174.700 0.035 0.000 1.471 127 T CA 0.041 62.161 62.100 0.033 0.000 0.993 127 T CB 0.214 69.106 68.868 0.039 0.000 1.554 127 T HN 0.275 nan 8.240 nan 0.000 0.496 128 L N 1.416 122.659 121.223 0.034 0.000 2.083 128 L HA 0.201 4.539 4.340 -0.003 0.000 0.209 128 L C 2.547 179.442 176.870 0.042 0.000 1.083 128 L CA 3.376 58.235 54.840 0.031 0.000 0.752 128 L CB -0.748 41.328 42.059 0.028 0.000 0.899 128 L HN 0.877 nan 8.230 nan 0.000 0.433 129 G N -1.062 107.773 108.800 0.058 0.000 2.418 129 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.217 129 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.217 129 G C 1.498 176.458 174.900 0.101 0.000 1.158 129 G CA 0.561 45.715 45.100 0.091 0.000 0.771 129 G HN 0.592 nan 8.290 nan 0.000 0.545 130 G N 0.362 109.207 108.800 0.075 0.000 2.402 130 G HA2 -0.112 3.846 3.960 -0.003 0.000 0.216 130 G HA3 -0.112 3.846 3.960 -0.003 0.000 0.216 130 G C 1.771 176.706 174.900 0.059 0.000 1.162 130 G CA 1.181 46.324 45.100 0.071 0.000 0.777 130 G HN 0.317 nan 8.290 nan 0.000 0.539 131 V N 1.550 121.488 119.914 0.039 0.000 2.343 131 V HA -0.114 4.004 4.120 -0.003 0.000 0.247 131 V C 3.308 179.403 176.094 0.003 0.000 1.051 131 V CA 1.978 64.290 62.300 0.021 0.000 1.036 131 V CB -0.841 30.991 31.823 0.015 0.000 0.654 131 V HN 0.465 nan 8.190 nan 0.000 0.451 132 A N -0.141 122.679 122.820 -0.001 0.000 1.902 132 A HA -0.252 4.066 4.320 -0.003 0.000 0.217 132 A C 2.354 179.883 177.584 -0.091 0.000 1.181 132 A CA 2.134 54.133 52.037 -0.064 0.000 0.623 132 A CB -0.475 18.487 19.000 -0.064 0.000 0.818 132 A HN 0.527 nan 8.150 nan 0.000 0.443 133 K N -0.273 120.165 120.400 0.063 0.000 2.057 133 K HA -0.085 4.233 4.320 -0.003 0.000 0.207 133 K C 2.136 178.795 176.600 0.098 0.000 1.049 133 K CA 1.235 57.647 56.287 0.209 0.000 0.931 133 K CB -0.330 32.376 32.500 0.344 0.000 0.714 133 K HN 0.353 nan 8.250 nan 0.000 0.440 134 A N 0.499 123.353 122.820 0.057 0.000 1.902 134 A HA -0.127 4.192 4.320 -0.003 0.000 0.217 134 A C 2.163 179.737 177.584 -0.016 0.000 1.181 134 A CA 2.126 54.182 52.037 0.032 0.000 0.623 134 A CB -0.972 18.045 19.000 0.029 0.000 0.818 134 A HN 0.434 nan 8.150 nan 0.000 0.443 135 T N -0.344 114.178 114.554 -0.054 0.000 2.746 135 T HA -0.131 4.217 4.350 -0.003 0.000 0.267 135 T C 2.063 176.672 174.700 -0.152 0.000 1.039 135 T CA 1.532 63.578 62.100 -0.090 0.000 1.142 135 T CB -0.229 68.580 68.868 -0.099 0.000 0.866 135 T HN 0.508 nan 8.240 nan 0.000 0.444 136 R N 0.886 121.241 120.500 -0.241 0.000 2.073 136 R HA -0.066 4.272 4.340 -0.003 0.000 0.234 136 R C 2.551 178.742 176.300 -0.182 0.000 1.134 136 R CA 1.451 57.335 56.100 -0.360 0.000 0.952 136 R CB -0.186 29.614 30.300 -0.832 0.000 0.850 136 R HN 0.536 nan 8.270 nan 0.000 0.433 137 E N -0.477 119.689 120.200 -0.057 0.000 2.106 137 E HA -0.102 4.246 4.350 -0.003 0.000 0.192 137 E C 1.840 178.431 176.600 -0.015 0.000 0.984 137 E CA 1.409 57.827 56.400 0.031 0.000 0.806 137 E CB 0.043 29.803 29.700 0.100 0.000 0.750 137 E HN 0.268 nan 8.360 nan 0.000 0.458 138 T N 1.375 115.903 114.554 -0.043 0.000 2.867 138 T HA -0.089 4.259 4.350 -0.003 0.000 0.268 138 T C 1.909 176.550 174.700 -0.098 0.000 1.057 138 T CA 0.622 62.681 62.100 -0.068 0.000 1.136 138 T CB -0.128 68.703 68.868 -0.062 0.000 0.874 138 T HN 0.114 nan 8.240 nan 0.000 0.466 139 I N 0.859 121.364 120.570 -0.109 0.000 2.194 139 I HA -0.200 3.968 4.170 -0.003 0.000 0.246 139 I C 2.413 178.501 176.117 -0.049 0.000 1.093 139 I CA 1.106 62.337 61.300 -0.116 0.000 1.355 139 I CB -0.415 37.457 38.000 -0.215 0.000 1.046 139 I HN 0.110 nan 8.210 nan 0.000 0.413 140 V N 1.012 120.909 119.914 -0.028 0.000 2.343 140 V HA -0.267 3.851 4.120 -0.003 0.000 0.247 140 V C 2.328 178.431 176.094 0.016 0.000 1.051 140 V CA 1.656 63.969 62.300 0.021 0.000 1.036 140 V CB -0.505 31.341 31.823 0.038 0.000 0.654 140 V HN 0.374 nan 8.190 nan 0.000 0.451 141 L N -0.772 120.443 121.223 -0.014 0.000 2.046 141 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 141 L C 2.380 179.238 176.870 -0.020 0.000 1.077 141 L CA 1.428 56.254 54.840 -0.023 0.000 0.747 141 L CB -0.612 41.418 42.059 -0.049 0.000 0.896 141 L HN 0.288 nan 8.230 nan 0.000 0.432 142 L N -0.522 120.668 121.223 -0.056 0.000 2.141 142 L HA -0.167 4.171 4.340 -0.003 0.000 0.209 142 L C 2.489 179.458 176.870 0.165 0.000 1.094 142 L CA 1.124 55.964 54.840 0.000 0.000 0.763 142 L CB -0.441 41.497 42.059 -0.202 0.000 0.908 142 L HN 0.272 nan 8.230 nan 0.000 0.437 143 E N 0.234 120.497 120.200 0.106 0.000 2.072 143 E HA -0.182 4.166 4.350 -0.003 0.000 0.191 143 E C 2.363 179.016 176.600 0.088 0.000 0.985 143 E CA 1.032 57.506 56.400 0.124 0.000 0.801 143 E CB -0.159 29.618 29.700 0.128 0.000 0.750 143 E HN 0.480 nan 8.360 nan 0.000 0.452 144 A N 1.419 124.278 122.820 0.065 0.000 1.940 144 A HA -0.134 4.184 4.320 -0.003 0.000 0.219 144 A C 2.291 179.893 177.584 0.030 0.000 1.176 144 A CA 1.679 53.741 52.037 0.041 0.000 0.631 144 A CB -0.517 18.500 19.000 0.028 0.000 0.814 144 A HN 0.280 nan 8.150 nan 0.000 0.446 145 A N -2.110 120.743 122.820 0.055 0.000 2.235 145 A HA 0.404 4.722 4.320 -0.003 0.000 0.208 145 A C 1.760 179.297 177.584 -0.078 0.000 1.172 145 A CA 1.251 53.305 52.037 0.028 0.000 0.786 145 A CB -0.867 18.204 19.000 0.118 0.000 0.804 145 A HN 1.905 nan 8.150 nan 0.000 0.479 146 G N -2.554 106.215 108.800 -0.051 0.000 2.176 146 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.232 146 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.232 146 G C -0.065 174.726 174.900 -0.181 0.000 0.986 146 G CA -0.001 45.024 45.100 -0.126 0.000 0.643 146 G HN 0.389 nan 8.290 nan 0.000 0.522 147 Y N 2.158 122.469 120.300 0.018 0.000 2.496 147 Y HA 0.360 4.908 4.550 -0.002 0.000 0.334 147 Y C 1.469 177.401 175.900 0.054 0.000 1.080 147 Y CA 0.277 58.397 58.100 0.033 0.000 1.355 147 Y CB 0.870 39.339 38.460 0.014 0.000 1.193 147 Y HN 0.274 nan 8.280 nan 0.000 0.523 148 D N 0.530 121.039 120.400 0.181 0.000 2.398 148 D HA 0.094 4.732 4.640 -0.003 0.000 0.210 148 D C -0.560 175.820 176.300 0.133 0.000 1.094 148 D CA 0.363 54.455 54.000 0.153 0.000 0.839 148 D CB 0.155 41.048 40.800 0.155 0.000 0.963 148 D HN 0.185 nan 8.370 nan 0.000 0.506 149 V N 1.663 121.657 119.914 0.134 0.000 2.668 149 V HA 0.317 4.435 4.120 -0.003 0.000 0.304 149 V C -0.920 175.247 176.094 0.123 0.000 1.071 149 V CA -0.839 61.518 62.300 0.095 0.000 0.894 149 V CB 2.382 34.165 31.823 -0.066 0.000 1.008 149 V HN 0.023 nan 8.190 nan 0.000 0.425 150 I N 5.708 126.372 120.570 0.157 0.000 2.389 150 I HA 0.492 4.660 4.170 -0.003 0.000 0.288 150 I C -0.399 175.781 176.117 0.105 0.000 0.999 150 I CA -0.503 60.865 61.300 0.114 0.000 1.129 150 I CB 1.674 39.743 38.000 0.114 0.000 1.288 150 I HN 0.411 nan 8.210 nan 0.000 0.444 151 L N 6.400 127.658 121.223 0.059 0.000 2.282 151 L HA 0.587 4.925 4.340 -0.003 0.000 0.288 151 L C -0.316 176.571 176.870 0.028 0.000 1.033 151 L CA -0.870 54.002 54.840 0.052 0.000 0.807 151 L CB 1.770 43.847 42.059 0.030 0.000 1.209 151 L HN 0.221 nan 8.230 nan 0.000 0.423 152 V N 2.859 122.792 119.914 0.032 0.000 2.378 152 V HA 0.316 4.434 4.120 -0.003 0.000 0.288 152 V C -0.078 176.027 176.094 0.018 0.000 1.016 152 V CA -0.622 61.688 62.300 0.017 0.000 0.840 152 V CB 1.511 33.341 31.823 0.011 0.000 0.994 152 V HN 0.868 nan 8.190 nan 0.000 0.431 153 E N 2.735 122.940 120.200 0.009 0.000 2.221 153 E HA 0.812 5.160 4.350 -0.003 0.000 0.268 153 E C -0.858 175.755 176.600 0.022 0.000 0.933 153 E CA -0.733 55.670 56.400 0.005 0.000 0.809 153 E CB 2.551 32.248 29.700 -0.004 0.000 1.190 153 E HN 0.461 nan 8.360 nan 0.000 0.406 154 T N 0.353 114.927 114.554 0.032 0.000 2.982 154 T HA 0.384 4.732 4.350 -0.003 0.000 0.321 154 T C 0.441 175.174 174.700 0.055 0.000 1.229 154 T CA -0.012 62.117 62.100 0.048 0.000 1.044 154 T CB 1.375 70.289 68.868 0.078 0.000 1.184 154 T HN 0.569 nan 8.240 nan 0.000 0.477 155 V N 2.070 122.014 119.914 0.049 0.000 2.719 155 V HA 0.459 4.577 4.120 -0.003 0.000 0.252 155 V C 1.736 177.873 176.094 0.073 0.000 1.065 155 V CA 1.531 63.863 62.300 0.055 0.000 1.086 155 V CB -1.142 30.703 31.823 0.038 0.000 0.700 155 V HN 1.711 nan 8.190 nan 0.000 0.467 156 G N -0.868 107.975 108.800 0.070 0.000 2.141 156 G HA2 -0.045 3.913 3.960 -0.003 0.000 0.195 156 G HA3 -0.045 3.913 3.960 -0.003 0.000 0.195 156 G C 0.002 174.934 174.900 0.053 0.000 1.012 156 G CA 0.045 45.190 45.100 0.074 0.000 0.696 156 G HN 1.021 nan 8.290 nan 0.000 0.508 157 V N 0.627 120.566 119.914 0.043 0.000 2.585 157 V HA 0.468 4.586 4.120 -0.003 0.000 0.296 157 V C 2.028 178.138 176.094 0.027 0.000 1.035 157 V CA 1.574 63.894 62.300 0.033 0.000 1.084 157 V CB 0.445 32.284 31.823 0.028 0.000 0.953 157 V HN 2.017 nan 8.190 nan 0.000 0.483 158 G N 4.847 113.661 108.800 0.023 0.000 2.634 158 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.318 158 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.318 158 G C 0.583 175.490 174.900 0.013 0.000 1.207 158 G CA 0.883 45.993 45.100 0.017 0.000 0.987 158 G HN 0.673 nan 8.290 nan 0.000 0.547 159 Q N 0.412 120.219 119.800 0.012 0.000 2.222 159 Q HA 0.525 4.863 4.340 -0.003 0.000 0.206 159 Q C 2.372 178.375 176.000 0.004 0.000 0.877 159 Q CA 1.297 57.102 55.803 0.004 0.000 0.958 159 Q CB 0.046 28.788 28.738 0.007 0.000 1.075 159 Q HN 0.479 nan 8.270 nan 0.000 0.483 160 S N -0.174 115.537 115.700 0.018 0.000 2.368 160 S HA -0.146 4.322 4.470 -0.003 0.000 0.224 160 S C 1.203 175.832 174.600 0.048 0.000 1.029 160 S CA 1.288 59.507 58.200 0.031 0.000 0.988 160 S CB 0.224 63.449 63.200 0.043 0.000 0.838 160 S HN 0.445 nan 8.310 nan 0.000 0.462 161 E N 0.397 120.631 120.200 0.057 0.000 2.072 161 E HA -0.060 4.288 4.350 -0.003 0.000 0.191 161 E C 2.047 178.590 176.600 -0.096 0.000 0.985 161 E CA 1.046 57.506 56.400 0.101 0.000 0.801 161 E CB -0.267 29.500 29.700 0.111 0.000 0.750 161 E HN 0.260 nan 8.360 nan 0.000 0.452 162 V N 0.851 120.696 119.914 -0.114 0.000 2.407 162 V HA -0.266 3.852 4.120 -0.003 0.000 0.248 162 V C 2.090 178.113 176.094 -0.120 0.000 1.055 162 V CA 2.147 64.355 62.300 -0.154 0.000 1.049 162 V CB -0.627 31.140 31.823 -0.092 0.000 0.662 162 V HN 0.373 nan 8.190 nan 0.000 0.455 163 T N -0.217 114.299 114.554 -0.063 0.000 2.737 163 T HA -0.143 4.205 4.350 -0.003 0.000 0.265 163 T C 1.930 176.593 174.700 -0.062 0.000 1.038 163 T CA 1.644 63.714 62.100 -0.052 0.000 1.144 163 T CB -0.162 68.692 68.868 -0.023 0.000 0.866 163 T HN 0.299 nan 8.240 nan 0.000 0.434 164 V N 1.766 121.676 119.914 -0.005 0.000 2.358 164 V HA -0.109 4.009 4.120 -0.003 0.000 0.246 164 V C 2.900 179.016 176.094 0.037 0.000 1.047 164 V CA 1.477 63.818 62.300 0.067 0.000 1.035 164 V CB -1.218 30.746 31.823 0.234 0.000 0.658 164 V HN 0.511 nan 8.190 nan 0.000 0.452 165 A N 0.712 123.427 122.820 -0.174 0.000 1.986 165 A HA -0.143 4.175 4.320 -0.003 0.000 0.220 165 A C 2.279 179.772 177.584 -0.152 0.000 1.171 165 A CA 1.953 53.773 52.037 -0.363 0.000 0.640 165 A CB -1.006 17.574 19.000 -0.701 0.000 0.811 165 A HN 0.568 nan 8.150 nan 0.000 0.451 166 G N -0.617 108.107 108.800 -0.126 0.000 2.813 166 G HA2 0.155 4.114 3.960 -0.003 0.000 0.209 166 G HA3 0.155 4.114 3.960 -0.003 0.000 0.209 166 G C 1.202 176.044 174.900 -0.096 0.000 1.150 166 G CA 0.826 45.872 45.100 -0.089 0.000 0.785 166 G HN 0.751 nan 8.290 nan 0.000 0.535 167 M N -0.453 119.085 119.600 -0.102 0.000 2.347 167 M HA 0.468 4.946 4.480 -0.003 0.000 0.324 167 M C -0.175 176.092 176.300 -0.054 0.000 1.028 167 M CA -0.307 54.909 55.300 -0.140 0.000 0.988 167 M CB 0.968 33.414 32.600 -0.257 0.000 1.528 167 M HN -0.074 nan 8.290 nan 0.000 0.550 168 V N -2.947 116.993 119.914 0.044 0.000 3.046 168 V HA 0.553 4.671 4.120 -0.003 0.000 0.316 168 V C -0.199 175.977 176.094 0.137 0.000 1.104 168 V CA -0.569 61.821 62.300 0.151 0.000 1.006 168 V CB 1.999 33.942 31.823 0.199 0.000 1.058 168 V HN 0.194 nan 8.190 nan 0.000 0.440 169 D N 0.688 121.189 120.400 0.169 0.000 2.271 169 D HA 0.139 4.777 4.640 -0.003 0.000 0.206 169 D C 0.363 176.782 176.300 0.199 0.000 0.967 169 D CA 1.211 55.285 54.000 0.122 0.000 0.867 169 D CB 0.575 41.486 40.800 0.185 0.000 0.960 169 D HN 0.739 nan 8.370 nan 0.000 0.509 170 T N 0.418 115.089 114.554 0.196 0.000 3.071 170 T HA 0.316 4.665 4.350 -0.003 0.000 0.311 170 T C -1.368 173.431 174.700 0.165 0.000 1.042 170 T CA -0.598 61.578 62.100 0.127 0.000 1.028 170 T CB 1.700 70.604 68.868 0.061 0.000 1.068 170 T HN -0.146 nan 8.240 nan 0.000 0.451 171 F N 4.041 123.974 119.950 -0.028 0.000 2.427 171 F HA 0.671 5.197 4.527 -0.003 0.000 0.348 171 F C -0.772 175.054 175.800 0.044 0.000 1.125 171 F CA -0.740 57.270 58.000 0.018 0.000 0.989 171 F CB 0.883 39.890 39.000 0.012 0.000 1.165 171 F HN 0.296 nan 8.300 nan 0.000 0.442 172 V N 7.219 126.968 119.914 -0.274 0.000 2.427 172 V HA 0.316 4.434 4.120 -0.003 0.000 0.286 172 V C -0.806 175.195 176.094 -0.154 0.000 1.034 172 V CA -0.708 61.519 62.300 -0.122 0.000 0.893 172 V CB 1.322 33.108 31.823 -0.063 0.000 0.982 172 V HN 0.573 nan 8.190 nan 0.000 0.452 173 F N 6.153 126.004 119.950 -0.166 0.000 2.467 173 F HA 0.671 5.195 4.527 -0.004 0.000 0.336 173 F C -0.674 175.088 175.800 -0.063 0.000 1.123 173 F CA -1.459 56.467 58.000 -0.123 0.000 0.964 173 F CB 1.258 40.262 39.000 0.007 0.000 1.136 173 F HN 0.275 nan 8.300 nan 0.000 0.447 174 L N 6.028 127.058 121.223 -0.321 0.000 2.307 174 L HA 0.611 4.949 4.340 -0.003 0.000 0.284 174 L C 0.041 176.567 176.870 -0.574 0.000 1.023 174 L CA -0.523 54.111 54.840 -0.344 0.000 0.810 174 L CB 1.810 43.773 42.059 -0.161 0.000 1.231 174 L HN 0.789 nan 8.230 nan 0.000 0.423 175 T N 0.666 114.948 114.554 -0.453 0.000 2.831 175 T HA 0.739 5.087 4.350 -0.003 0.000 0.287 175 T C -0.689 173.902 174.700 -0.181 0.000 1.070 175 T CA -0.871 60.998 62.100 -0.384 0.000 1.010 175 T CB 1.839 70.448 68.868 -0.431 0.000 1.264 175 T HN 0.337 nan 8.240 nan 0.000 0.532 176 L N 0.581 121.736 121.223 -0.114 0.000 2.370 176 L HA 0.735 5.073 4.340 -0.003 0.000 0.266 176 L C -0.045 176.827 176.870 0.002 0.000 1.002 176 L CA -1.563 53.252 54.840 -0.042 0.000 0.818 176 L CB 2.081 44.113 42.059 -0.046 0.000 1.325 176 L HN 1.032 nan 8.230 nan 0.000 0.418 177 A N 2.184 125.055 122.820 0.085 0.000 2.309 177 A HA 0.341 4.659 4.320 -0.003 0.000 0.290 177 A C 0.936 178.610 177.584 0.150 0.000 1.206 177 A CA -0.274 51.832 52.037 0.115 0.000 0.850 177 A CB 0.521 19.591 19.000 0.117 0.000 1.118 177 A HN 0.936 nan 8.150 nan 0.000 0.523 178 R N 1.263 121.809 120.500 0.078 0.000 2.066 178 R HA -0.051 4.287 4.340 -0.003 0.000 0.232 178 R C 1.030 177.398 176.300 0.113 0.000 1.131 178 R CA 2.141 58.279 56.100 0.064 0.000 0.955 178 R CB 0.021 30.342 30.300 0.035 0.000 0.851 178 R HN 0.906 nan 8.270 nan 0.000 0.432 179 T N -6.626 107.983 114.554 0.092 0.000 2.618 179 T HA 0.360 4.708 4.350 -0.003 0.000 0.286 179 T C 0.945 175.655 174.700 0.017 0.000 1.027 179 T CA -0.360 61.783 62.100 0.071 0.000 1.063 179 T CB 1.085 69.977 68.868 0.040 0.000 1.440 179 T HN 0.037 nan 8.240 nan 0.000 0.505 180 G N 0.124 108.915 108.800 -0.016 0.000 2.744 180 G HA2 0.117 4.075 3.960 -0.003 0.000 0.211 180 G HA3 0.117 4.075 3.960 -0.003 0.000 0.211 180 G C 0.740 175.628 174.900 -0.020 0.000 1.143 180 G CA 0.853 45.929 45.100 -0.040 0.000 0.788 180 G HN 0.926 nan 8.290 nan 0.000 0.534 181 D N -0.909 119.488 120.400 -0.005 0.000 2.520 181 D HA 0.013 4.652 4.640 -0.003 0.000 0.223 181 D C 0.415 176.721 176.300 0.010 0.000 1.186 181 D CA -0.170 53.830 54.000 0.001 0.000 0.821 181 D CB -0.143 40.658 40.800 0.001 0.000 1.072 181 D HN 0.436 nan 8.370 nan 0.000 0.518 182 Q N 0.743 120.552 119.800 0.015 0.000 2.305 182 Q HA 0.482 4.820 4.340 -0.003 0.000 0.271 182 Q C -0.880 175.136 176.000 0.026 0.000 1.046 182 Q CA -0.862 54.954 55.803 0.022 0.000 0.798 182 Q CB 2.313 31.065 28.738 0.024 0.000 1.286 182 Q HN 0.014 nan 8.270 nan 0.000 0.435 183 L N 2.068 123.306 121.223 0.025 0.000 2.421 183 L HA 0.379 4.717 4.340 -0.003 0.000 0.263 183 L C 0.286 177.170 176.870 0.025 0.000 1.122 183 L CA -0.584 54.268 54.840 0.020 0.000 0.804 183 L CB 1.266 43.337 42.059 0.019 0.000 1.150 183 L HN 0.713 nan 8.230 nan 0.000 0.457 184 Q N 0.341 120.150 119.800 0.015 0.000 2.387 184 Q HA 0.569 4.907 4.340 -0.003 0.000 0.273 184 Q C 0.192 176.210 176.000 0.031 0.000 1.089 184 Q CA -0.536 55.280 55.803 0.021 0.000 0.824 184 Q CB 1.921 30.665 28.738 0.011 0.000 1.367 184 Q HN 0.779 nan 8.270 nan 0.000 0.443 185 G N 2.436 111.266 108.800 0.050 0.000 2.350 185 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.298 185 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.298 185 G C -0.306 174.678 174.900 0.140 0.000 1.037 185 G CA 0.007 45.153 45.100 0.075 0.000 1.074 185 G HN 0.532 nan 8.290 nan 0.000 0.511 186 I N 0.467 121.126 120.570 0.148 0.000 2.297 186 I HA 0.499 4.668 4.170 -0.003 0.000 0.291 186 I C 0.942 177.151 176.117 0.154 0.000 1.033 186 I CA -0.215 61.224 61.300 0.233 0.000 1.253 186 I CB 0.203 38.332 38.000 0.215 0.000 1.396 186 I HN 0.449 nan 8.210 nan 0.000 0.476 187 K N 4.475 124.962 120.400 0.146 0.000 2.107 187 K HA 0.526 4.844 4.320 -0.003 0.000 0.251 187 K C 1.371 177.994 176.600 0.038 0.000 1.012 187 K CA 0.294 56.625 56.287 0.074 0.000 0.920 187 K CB 0.086 32.622 32.500 0.060 0.000 1.033 187 K HN 0.675 nan 8.250 nan 0.000 0.478 188 K N 0.103 120.517 120.400 0.024 0.000 2.001 188 K HA -0.096 4.222 4.320 -0.003 0.000 0.223 188 K C 1.889 178.487 176.600 -0.004 0.000 1.055 188 K CA 2.531 58.825 56.287 0.012 0.000 0.965 188 K CB -1.193 31.311 32.500 0.007 0.000 0.730 188 K HN 1.432 nan 8.250 nan 0.000 0.449 189 G N -0.345 108.440 108.800 -0.025 0.000 4.125 189 G HA2 0.426 4.384 3.960 -0.003 0.000 0.301 189 G HA3 0.426 4.384 3.960 -0.003 0.000 0.301 189 G C 0.699 175.548 174.900 -0.085 0.000 1.273 189 G CA 0.311 45.384 45.100 -0.045 0.000 1.095 189 G HN 0.284 nan 8.290 nan 0.000 0.582 190 V N -0.028 119.818 119.914 -0.113 0.000 2.908 190 V HA 0.093 4.211 4.120 -0.003 0.000 0.240 190 V C 2.619 178.544 176.094 -0.281 0.000 1.117 190 V CA 0.436 62.584 62.300 -0.254 0.000 1.133 190 V CB -0.325 31.240 31.823 -0.429 0.000 0.857 190 V HN 0.401 nan 8.190 nan 0.000 0.478 191 L N 1.191 122.334 121.223 -0.132 0.000 2.043 191 L HA -0.258 4.080 4.340 -0.003 0.000 0.212 191 L C 2.721 179.648 176.870 0.095 0.000 1.075 191 L CA 2.468 57.333 54.840 0.042 0.000 0.752 191 L CB -0.735 41.422 42.059 0.162 0.000 0.891 191 L HN 0.614 nan 8.230 nan 0.000 0.432 192 E N 0.736 120.968 120.200 0.054 0.000 2.219 192 E HA -0.248 4.100 4.350 -0.003 0.000 0.198 192 E C 2.057 178.681 176.600 0.039 0.000 0.998 192 E CA 1.320 57.755 56.400 0.060 0.000 0.818 192 E CB -0.316 29.376 29.700 -0.013 0.000 0.741 192 E HN 0.570 nan 8.360 nan 0.000 0.477 193 L N 0.709 121.909 121.223 -0.037 0.000 2.418 193 L HA 0.158 4.496 4.340 -0.003 0.000 0.218 193 L C 1.293 178.212 176.870 0.081 0.000 1.125 193 L CA 0.068 54.825 54.840 -0.140 0.000 0.835 193 L CB -0.109 41.685 42.059 -0.441 0.000 0.953 193 L HN 0.119 nan 8.230 nan 0.000 0.454 194 A N 0.019 122.977 122.820 0.230 0.000 2.409 194 A HA 0.115 4.433 4.320 -0.003 0.000 0.262 194 A C 0.419 178.168 177.584 0.274 0.000 1.113 194 A CA -0.366 51.890 52.037 0.364 0.000 0.790 194 A CB 0.231 19.441 19.000 0.349 0.000 1.046 194 A HN 0.139 nan 8.150 nan 0.000 0.496 195 D N 0.860 121.390 120.400 0.217 0.000 2.301 195 D HA 0.126 4.765 4.640 -0.003 0.000 0.206 195 D C 0.005 176.436 176.300 0.218 0.000 0.979 195 D CA 1.157 55.221 54.000 0.106 0.000 0.874 195 D CB 0.478 41.040 40.800 -0.397 0.000 0.968 195 D HN 0.274 nan 8.370 nan 0.000 0.510 196 V N 1.325 121.329 119.914 0.151 0.000 2.760 196 V HA 0.418 4.537 4.120 -0.003 0.000 0.309 196 V C -0.493 175.677 176.094 0.127 0.000 1.077 196 V CA -0.831 61.552 62.300 0.137 0.000 0.910 196 V CB 2.711 34.590 31.823 0.094 0.000 1.008 196 V HN -0.161 nan 8.190 nan 0.000 0.424 197 I N 3.362 123.985 120.570 0.088 0.000 2.509 197 I HA 0.637 4.805 4.170 -0.003 0.000 0.293 197 I C -0.742 175.367 176.117 -0.014 0.000 1.020 197 I CA -0.825 60.511 61.300 0.060 0.000 1.088 197 I CB 2.231 40.281 38.000 0.084 0.000 1.267 197 I HN 0.302 nan 8.210 nan 0.000 0.430 198 V N 6.536 126.407 119.914 -0.072 0.000 2.444 198 V HA 0.343 4.461 4.120 -0.003 0.000 0.294 198 V C -0.242 175.786 176.094 -0.110 0.000 1.022 198 V CA -0.777 61.480 62.300 -0.072 0.000 0.850 198 V CB 2.008 33.797 31.823 -0.057 0.000 0.992 198 V HN 0.384 nan 8.190 nan 0.000 0.426 199 V N 4.992 124.861 119.914 -0.076 0.000 2.353 199 V HA 0.293 4.411 4.120 -0.003 0.000 0.264 199 V C 0.381 176.451 176.094 -0.041 0.000 1.049 199 V CA -0.293 61.967 62.300 -0.067 0.000 0.896 199 V CB 0.893 32.689 31.823 -0.045 0.000 1.025 199 V HN 0.919 nan 8.190 nan 0.000 0.475 200 N N 3.358 122.030 118.700 -0.046 0.000 2.448 200 N HA 0.310 5.048 4.740 -0.003 0.000 0.274 200 N C 0.332 175.846 175.510 0.007 0.000 1.239 200 N CA -0.499 52.534 53.050 -0.028 0.000 0.982 200 N CB 0.438 38.897 38.487 -0.047 0.000 1.199 200 N HN 0.559 nan 8.380 nan 0.000 0.576 201 K N -1.672 118.733 120.400 0.008 0.000 3.071 201 K HA -0.181 4.137 4.320 -0.003 0.000 0.265 201 K C -1.048 175.614 176.600 0.103 0.000 1.060 201 K CA 0.660 56.966 56.287 0.030 0.000 0.767 201 K CB -1.963 30.533 32.500 -0.007 0.000 1.241 201 K HN 0.498 nan 8.250 nan 0.000 0.486 202 A N 1.942 124.800 122.820 0.063 0.000 3.078 202 A HA 0.341 4.659 4.320 -0.003 0.000 0.279 202 A C -0.197 177.407 177.584 0.033 0.000 1.594 202 A CA -0.052 52.015 52.037 0.051 0.000 1.301 202 A CB -0.218 18.786 19.000 0.006 0.000 1.162 202 A HN 0.425 nan 8.150 nan 0.000 0.585 203 D N -1.306 119.127 120.400 0.055 0.000 2.570 203 D HA 0.669 5.307 4.640 -0.003 0.000 0.244 203 D C 0.606 176.936 176.300 0.050 0.000 1.178 203 D CA 0.034 54.055 54.000 0.035 0.000 0.881 203 D CB 0.409 41.223 40.800 0.024 0.000 1.453 203 D HN 0.886 nan 8.370 nan 0.000 0.447 204 G N -0.299 108.519 108.800 0.031 0.000 2.564 204 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.273 204 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.273 204 G C 1.051 175.974 174.900 0.037 0.000 1.242 204 G CA 1.480 46.599 45.100 0.031 0.000 0.951 204 G HN 1.175 nan 8.290 nan 0.000 0.564 205 E N -1.570 118.658 120.200 0.046 0.000 2.265 205 E HA -0.126 4.222 4.350 -0.003 0.000 0.196 205 E C 2.201 178.837 176.600 0.060 0.000 0.996 205 E CA 2.190 58.616 56.400 0.043 0.000 0.832 205 E CB -0.467 29.259 29.700 0.044 0.000 0.756 205 E HN 1.115 nan 8.360 nan 0.000 0.491 206 H N -0.673 118.390 119.070 -0.011 0.000 2.535 206 H HA 0.462 5.016 4.556 -0.002 0.000 0.273 206 H C 2.275 177.595 175.328 -0.015 0.000 0.983 206 H CA 1.116 57.156 56.048 -0.013 0.000 1.238 206 H CB -0.064 29.689 29.762 -0.015 0.000 1.412 206 H HN 0.415 nan 8.280 nan 0.000 0.562 207 A N 0.038 122.832 122.820 -0.043 0.000 1.927 207 A HA -0.228 4.090 4.320 -0.003 0.000 0.220 207 A C 2.511 180.015 177.584 -0.133 0.000 1.185 207 A CA 2.081 54.075 52.037 -0.072 0.000 0.639 207 A CB -1.148 17.835 19.000 -0.027 0.000 0.820 207 A HN 0.304 nan 8.150 nan 0.000 0.451 208 V N -0.004 119.834 119.914 -0.127 0.000 2.219 208 V HA -0.339 3.779 4.120 -0.003 0.000 0.248 208 V C 2.429 178.420 176.094 -0.171 0.000 1.053 208 V CA 2.455 64.684 62.300 -0.117 0.000 1.009 208 V CB -1.096 30.677 31.823 -0.082 0.000 0.636 208 V HN 0.665 nan 8.190 nan 0.000 0.445 209 E N 0.224 120.261 120.200 -0.271 0.000 2.097 209 E HA -0.260 4.088 4.350 -0.003 0.000 0.196 209 E C 2.303 178.723 176.600 -0.300 0.000 1.000 209 E CA 1.431 57.646 56.400 -0.308 0.000 0.804 209 E CB -0.374 29.074 29.700 -0.421 0.000 0.740 209 E HN 0.615 nan 8.360 nan 0.000 0.454 210 A N 1.538 124.122 122.820 -0.394 0.000 1.902 210 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 210 A C 2.359 179.880 177.584 -0.104 0.000 1.181 210 A CA 2.495 54.422 52.037 -0.184 0.000 0.623 210 A CB -0.803 18.137 19.000 -0.100 0.000 0.818 210 A HN 0.272 nan 8.150 nan 0.000 0.443 211 K N -0.616 119.723 120.400 -0.102 0.000 2.211 211 K HA 0.323 4.641 4.320 -0.003 0.000 0.203 211 K C 2.222 178.785 176.600 -0.061 0.000 1.050 211 K CA 1.681 57.927 56.287 -0.068 0.000 0.945 211 K CB -1.115 31.350 32.500 -0.058 0.000 0.732 211 K HN 0.847 nan 8.250 nan 0.000 0.451 212 A N 0.651 123.428 122.820 -0.071 0.000 1.970 212 A HA 0.441 4.759 4.320 -0.003 0.000 0.216 212 A C 2.718 180.276 177.584 -0.044 0.000 1.170 212 A CA 1.451 53.456 52.037 -0.053 0.000 0.645 212 A CB -0.446 18.521 19.000 -0.054 0.000 0.816 212 A HN 0.738 nan 8.150 nan 0.000 0.447 213 A N 0.006 122.797 122.820 -0.050 0.000 1.929 213 A HA 0.260 4.578 4.320 -0.003 0.000 0.216 213 A C 2.446 180.012 177.584 -0.029 0.000 1.176 213 A CA 1.698 53.716 52.037 -0.032 0.000 0.628 213 A CB -0.862 18.123 19.000 -0.026 0.000 0.816 213 A HN 0.911 nan 8.150 nan 0.000 0.444 214 A N -0.058 122.740 122.820 -0.037 0.000 1.877 214 A HA -0.166 4.152 4.320 -0.003 0.000 0.216 214 A C 2.258 179.820 177.584 -0.035 0.000 1.186 214 A CA 1.531 53.546 52.037 -0.037 0.000 0.620 214 A CB -0.483 18.493 19.000 -0.040 0.000 0.822 214 A HN 0.522 nan 8.150 nan 0.000 0.443 215 R N -0.906 119.573 120.500 -0.036 0.000 2.073 215 R HA -0.177 4.161 4.340 -0.003 0.000 0.234 215 R C 2.285 178.569 176.300 -0.028 0.000 1.134 215 R CA 1.678 57.757 56.100 -0.034 0.000 0.952 215 R CB -0.293 29.988 30.300 -0.032 0.000 0.850 215 R HN 0.682 nan 8.270 nan 0.000 0.433 216 E N 0.787 120.973 120.200 -0.022 0.000 2.118 216 E HA -0.199 4.149 4.350 -0.003 0.000 0.195 216 E C 1.752 178.347 176.600 -0.009 0.000 0.992 216 E CA 0.919 57.311 56.400 -0.013 0.000 0.804 216 E CB -0.106 29.588 29.700 -0.009 0.000 0.741 216 E HN 0.115 nan 8.360 nan 0.000 0.458 217 L N -0.091 121.125 121.223 -0.011 0.000 2.109 217 L HA -0.043 4.295 4.340 -0.003 0.000 0.207 217 L C 2.106 178.962 176.870 -0.023 0.000 1.086 217 L CA 1.621 56.458 54.840 -0.004 0.000 0.760 217 L CB -0.565 41.494 42.059 0.000 0.000 0.910 217 L HN 0.035 nan 8.230 nan 0.000 0.437 218 S N -0.181 115.495 115.700 -0.040 0.000 2.370 218 S HA -0.137 4.331 4.470 -0.003 0.000 0.226 218 S C 1.931 176.501 174.600 -0.050 0.000 1.033 218 S CA 1.125 59.288 58.200 -0.062 0.000 1.011 218 S CB -0.999 62.162 63.200 -0.064 0.000 0.852 218 S HN 0.689 nan 8.310 nan 0.000 0.457 219 G N 1.391 110.173 108.800 -0.029 0.000 2.440 219 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.218 219 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.218 219 G C 1.567 176.467 174.900 -0.001 0.000 1.154 219 G CA 0.963 46.053 45.100 -0.016 0.000 0.767 219 G HN 0.587 nan 8.290 nan 0.000 0.552 220 A N 0.625 123.450 122.820 0.008 0.000 1.902 220 A HA 0.047 4.365 4.320 -0.003 0.000 0.217 220 A C 2.409 180.025 177.584 0.054 0.000 1.181 220 A CA 1.342 53.400 52.037 0.035 0.000 0.623 220 A CB -0.342 18.686 19.000 0.046 0.000 0.818 220 A HN 0.383 nan 8.150 nan 0.000 0.443 221 I N -0.942 119.629 120.570 0.002 0.000 2.252 221 I HA -0.215 3.953 4.170 -0.003 0.000 0.245 221 I C 2.711 178.823 176.117 -0.009 0.000 1.102 221 I CA 1.336 62.600 61.300 -0.061 0.000 1.385 221 I CB -0.286 37.544 38.000 -0.283 0.000 1.064 221 I HN 0.308 nan 8.210 nan 0.000 0.414 222 R N 1.212 121.694 120.500 -0.029 0.000 2.096 222 R HA -0.193 4.146 4.340 -0.003 0.000 0.235 222 R C 2.281 178.603 176.300 0.037 0.000 1.127 222 R CA 1.616 57.712 56.100 -0.007 0.000 0.968 222 R CB -0.679 29.604 30.300 -0.027 0.000 0.861 222 R HN 0.284 nan 8.270 nan 0.000 0.440 223 L N 0.693 121.943 121.223 0.043 0.000 2.046 223 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 223 L C 2.147 179.063 176.870 0.078 0.000 1.077 223 L CA 1.724 56.594 54.840 0.050 0.000 0.747 223 L CB -0.156 41.928 42.059 0.043 0.000 0.896 223 L HN 0.184 nan 8.230 nan 0.000 0.432 224 I N -2.761 117.891 120.570 0.136 0.000 2.729 224 I HA -0.080 4.088 4.170 -0.003 0.000 0.256 224 I C 0.196 176.413 176.117 0.166 0.000 1.115 224 I CA -0.099 61.289 61.300 0.145 0.000 1.446 224 I CB 0.061 38.157 38.000 0.161 0.000 1.176 224 I HN -0.055 nan 8.210 nan 0.000 0.446 225 Y N 2.503 122.808 120.300 0.008 0.000 2.377 225 Y HA 0.167 4.715 4.550 -0.003 0.000 0.330 225 Y C -1.947 173.956 175.900 0.005 0.000 1.108 225 Y CA -2.579 55.527 58.100 0.011 0.000 1.308 225 Y CB -0.263 38.203 38.460 0.011 0.000 1.216 225 Y HN -0.063 nan 8.280 nan 0.000 0.518 226 P HA -0.081 nan 4.420 nan 0.000 0.261 226 P C 0.708 178.058 177.300 0.083 0.000 1.173 226 P CA 0.452 63.597 63.100 0.075 0.000 0.760 226 P CB 0.622 32.351 31.700 0.048 0.000 0.783 227 R N 2.918 123.450 120.500 0.052 0.000 2.200 227 R HA -0.156 4.182 4.340 -0.003 0.000 0.234 227 R C 1.991 178.311 176.300 0.032 0.000 1.127 227 R CA 2.413 58.533 56.100 0.032 0.000 0.989 227 R CB -1.956 28.355 30.300 0.017 0.000 0.869 227 R HN 0.667 nan 8.270 nan 0.000 0.459 228 E N 0.593 120.817 120.200 0.040 0.000 2.482 228 E HA 0.153 4.501 4.350 -0.003 0.000 0.196 228 E C 1.086 177.720 176.600 0.058 0.000 1.047 228 E CA 0.356 56.780 56.400 0.040 0.000 0.869 228 E CB -0.383 29.337 29.700 0.034 0.000 0.836 228 E HN 0.639 nan 8.360 nan 0.000 0.520 229 S N 0.648 116.395 115.700 0.079 0.000 2.546 229 S HA 0.129 4.597 4.470 -0.003 0.000 0.290 229 S C 1.318 175.990 174.600 0.120 0.000 1.290 229 S CA 0.090 58.360 58.200 0.117 0.000 1.069 229 S CB 0.871 64.176 63.200 0.175 0.000 0.846 229 S HN 0.514 nan 8.310 nan 0.000 0.495 230 L N 4.545 125.855 121.223 0.146 0.000 2.043 230 L HA 0.018 4.356 4.340 -0.003 0.000 0.212 230 L C 0.515 177.561 176.870 0.294 0.000 1.075 230 L CA 1.679 56.626 54.840 0.178 0.000 0.752 230 L CB -0.074 42.085 42.059 0.166 0.000 0.891 230 L HN 0.782 nan 8.230 nan 0.000 0.432 231 W N 1.182 122.545 121.300 0.105 0.000 3.097 231 W HA 0.366 5.024 4.660 -0.003 0.000 0.335 231 W C -0.991 175.599 176.519 0.119 0.000 1.114 231 W CA -0.946 56.473 57.345 0.123 0.000 1.231 231 W CB 1.037 30.620 29.460 0.204 0.000 1.388 231 W HN -0.006 nan 8.180 nan 0.000 0.485 232 R N 6.910 127.170 120.500 -0.400 0.000 2.599 232 R HA 0.535 4.873 4.340 -0.003 0.000 0.295 232 R C -2.615 173.272 176.300 -0.689 0.000 0.963 232 R CA -1.628 54.249 56.100 -0.371 0.000 0.883 232 R CB 2.410 32.544 30.300 -0.277 0.000 1.171 232 R HN 0.119 nan 8.270 nan 0.000 0.450 233 P HA 0.217 nan 4.420 nan 0.000 0.271 233 P C -2.603 174.536 177.300 -0.269 0.000 1.226 233 P CA -1.383 61.600 63.100 -0.194 0.000 0.765 233 P CB 0.504 32.197 31.700 -0.012 0.000 0.835 234 P HA 0.114 nan 4.420 nan 0.000 0.275 234 P C -0.566 176.695 177.300 -0.065 0.000 1.228 234 P CA -0.005 63.001 63.100 -0.156 0.000 0.786 234 P CB 0.476 32.111 31.700 -0.109 0.000 0.927 235 V N 4.019 123.891 119.914 -0.070 0.000 2.398 235 V HA 0.427 4.545 4.120 -0.003 0.000 0.286 235 V C 0.233 176.305 176.094 -0.036 0.000 1.026 235 V CA -0.391 61.883 62.300 -0.042 0.000 0.868 235 V CB 0.919 32.714 31.823 -0.046 0.000 0.982 235 V HN 0.364 nan 8.190 nan 0.000 0.443 236 L N 3.687 124.895 121.223 -0.026 0.000 2.333 236 L HA 0.798 5.136 4.340 -0.003 0.000 0.263 236 L C 0.191 177.045 176.870 -0.027 0.000 1.014 236 L CA -0.554 54.273 54.840 -0.021 0.000 0.820 236 L CB 2.800 44.855 42.059 -0.006 0.000 1.352 236 L HN 0.772 nan 8.230 nan 0.000 0.421 237 T N -0.886 113.653 114.554 -0.024 0.000 2.940 237 T HA 0.805 5.153 4.350 -0.003 0.000 0.288 237 T C -0.565 174.123 174.700 -0.019 0.000 1.033 237 T CA -0.733 61.352 62.100 -0.025 0.000 1.033 237 T CB 2.368 71.220 68.868 -0.027 0.000 1.079 237 T HN 0.615 nan 8.240 nan 0.000 0.496 238 M N 1.374 120.964 119.600 -0.017 0.000 2.534 238 M HA 0.485 4.963 4.480 -0.003 0.000 0.280 238 M C -1.564 174.729 176.300 -0.010 0.000 1.217 238 M CA -0.560 54.730 55.300 -0.016 0.000 0.893 238 M CB 2.429 35.017 32.600 -0.020 0.000 1.730 238 M HN 0.799 nan 8.290 nan 0.000 0.483 239 S N 2.033 117.727 115.700 -0.010 0.000 2.594 239 S HA 0.637 5.105 4.470 -0.003 0.000 0.322 239 S C 0.648 175.240 174.600 -0.013 0.000 1.085 239 S CA 0.169 58.365 58.200 -0.006 0.000 1.116 239 S CB 1.207 64.407 63.200 -0.000 0.000 0.979 239 S HN 0.800 nan 8.310 nan 0.000 0.465 240 A N 4.986 127.796 122.820 -0.016 0.000 1.892 240 A HA -0.042 4.276 4.320 -0.003 0.000 0.218 240 A C 2.041 179.617 177.584 -0.013 0.000 1.188 240 A CA 2.080 54.107 52.037 -0.018 0.000 0.631 240 A CB -0.978 18.010 19.000 -0.020 0.000 0.822 240 A HN 0.748 nan 8.150 nan 0.000 0.447 241 V N 0.219 120.127 119.914 -0.010 0.000 2.295 241 V HA -0.240 3.878 4.120 -0.003 0.000 0.246 241 V C 2.327 178.419 176.094 -0.003 0.000 1.049 241 V CA 2.322 64.618 62.300 -0.007 0.000 1.024 241 V CB -0.719 31.101 31.823 -0.006 0.000 0.648 241 V HN 0.694 nan 8.190 nan 0.000 0.447 242 E N -0.517 119.681 120.200 -0.003 0.000 2.371 242 E HA 0.130 4.479 4.350 -0.003 0.000 0.194 242 E C 1.737 178.337 176.600 -0.001 0.000 1.012 242 E CA 0.677 57.077 56.400 0.000 0.000 0.860 242 E CB 0.060 29.761 29.700 0.001 0.000 0.811 242 E HN 0.660 nan 8.360 nan 0.000 0.502 243 G N 2.333 111.129 108.800 -0.007 0.000 2.179 243 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.260 243 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.260 243 G C 0.584 175.473 174.900 -0.020 0.000 0.977 243 G CA 0.656 45.748 45.100 -0.014 0.000 0.641 243 G HN 0.386 nan 8.290 nan 0.000 0.533 244 T N -2.044 112.503 114.554 -0.012 0.000 2.851 244 T HA 0.575 4.923 4.350 -0.003 0.000 0.298 244 T C 1.653 176.342 174.700 -0.018 0.000 0.977 244 T CA 1.018 63.111 62.100 -0.011 0.000 1.126 244 T CB 1.555 70.420 68.868 -0.005 0.000 0.916 244 T HN 2.123 nan 8.240 nan 0.000 0.529 245 G N 1.827 110.615 108.800 -0.020 0.000 2.217 245 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.246 245 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.246 245 G C 0.565 175.447 174.900 -0.030 0.000 0.990 245 G CA 0.260 45.349 45.100 -0.018 0.000 0.627 245 G HN 0.789 nan 8.290 nan 0.000 0.522 246 L N 1.748 122.932 121.223 -0.064 0.000 2.017 246 L HA 0.124 4.462 4.340 -0.003 0.000 0.208 246 L C 0.495 177.255 176.870 -0.184 0.000 1.073 246 L CA 3.266 58.033 54.840 -0.121 0.000 0.745 246 L CB -0.935 41.022 42.059 -0.170 0.000 0.894 246 L HN 0.243 nan 8.230 nan 0.000 0.432 247 P HA -0.159 nan 4.420 nan 0.000 0.215 247 P C 1.241 178.577 177.300 0.060 0.000 1.153 247 P CA 1.312 64.343 63.100 -0.115 0.000 0.853 247 P CB 0.077 31.787 31.700 0.017 0.000 0.788 248 E N -0.813 119.409 120.200 0.035 0.000 2.072 248 E HA -0.143 4.205 4.350 -0.003 0.000 0.191 248 E C 1.837 178.473 176.600 0.061 0.000 0.985 248 E CA 0.643 57.072 56.400 0.048 0.000 0.801 248 E CB -1.255 28.460 29.700 0.025 0.000 0.750 248 E HN 0.102 nan 8.360 nan 0.000 0.452 249 L N 0.266 121.526 121.223 0.062 0.000 2.012 249 L HA -0.160 4.178 4.340 -0.003 0.000 0.210 249 L C 1.998 178.955 176.870 0.145 0.000 1.073 249 L CA 1.910 56.801 54.840 0.085 0.000 0.748 249 L CB -0.756 41.347 42.059 0.075 0.000 0.891 249 L HN 0.380 nan 8.230 nan 0.000 0.431 250 W N 0.753 122.045 121.300 -0.012 0.000 2.358 250 W HA -0.215 4.443 4.660 -0.003 0.000 0.303 250 W C 2.123 178.679 176.519 0.062 0.000 1.208 250 W CA 1.809 59.173 57.345 0.033 0.000 1.274 250 W CB 0.036 29.540 29.460 0.073 0.000 1.138 250 W HN 0.354 nan 8.180 nan 0.000 0.515 251 E N -0.578 119.629 120.200 0.012 0.000 2.153 251 E HA -0.192 4.156 4.350 -0.003 0.000 0.194 251 E C 1.973 178.520 176.600 -0.087 0.000 0.988 251 E CA 2.034 58.397 56.400 -0.062 0.000 0.811 251 E CB -0.387 29.337 29.700 0.040 0.000 0.746 251 E HN 0.128 nan 8.360 nan 0.000 0.466 252 T N 0.401 114.941 114.554 -0.024 0.000 2.904 252 T HA -0.071 4.277 4.350 -0.003 0.000 0.267 252 T C 2.057 176.760 174.700 0.005 0.000 1.059 252 T CA 0.628 62.774 62.100 0.077 0.000 1.137 252 T CB -0.004 68.937 68.868 0.122 0.000 0.879 252 T HN -0.019 nan 8.240 nan 0.000 0.467 253 V N 1.557 121.355 119.914 -0.195 0.000 2.358 253 V HA -0.067 4.051 4.120 -0.003 0.000 0.246 253 V C 2.440 178.279 176.094 -0.425 0.000 1.047 253 V CA 1.373 63.473 62.300 -0.334 0.000 1.035 253 V CB -0.610 30.904 31.823 -0.515 0.000 0.658 253 V HN 0.433 nan 8.190 nan 0.000 0.452 254 L N -0.381 120.498 121.223 -0.574 0.000 2.093 254 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 254 L C 2.727 179.463 176.870 -0.223 0.000 1.085 254 L CA 1.355 55.937 54.840 -0.429 0.000 0.755 254 L CB -0.576 41.243 42.059 -0.401 0.000 0.904 254 L HN 0.255 nan 8.230 nan 0.000 0.435 255 R N -0.407 120.024 120.500 -0.115 0.000 2.081 255 R HA -0.207 4.131 4.340 -0.003 0.000 0.235 255 R C 2.370 178.647 176.300 -0.039 0.000 1.131 255 R CA 1.669 57.787 56.100 0.030 0.000 0.960 255 R CB -0.826 29.598 30.300 0.205 0.000 0.856 255 R HN 0.412 nan 8.270 nan 0.000 0.436 256 H N -0.145 118.674 119.070 -0.419 0.000 2.290 256 H HA -0.167 4.387 4.556 -0.003 0.000 0.298 256 H C 2.124 177.155 175.328 -0.494 0.000 1.087 256 H CA 2.128 57.602 56.048 -0.957 0.000 1.291 256 H CB 0.032 29.179 29.762 -1.024 0.000 1.369 256 H HN 0.198 nan 8.280 nan 0.000 0.492 257 R N 0.717 121.001 120.500 -0.359 0.000 2.094 257 R HA -0.169 4.169 4.340 -0.003 0.000 0.239 257 R C 2.316 178.425 176.300 -0.318 0.000 1.137 257 R CA 2.201 58.097 56.100 -0.340 0.000 0.943 257 R CB -0.097 30.000 30.300 -0.339 0.000 0.850 257 R HN 0.507 nan 8.270 nan 0.000 0.433 258 E N -0.369 119.691 120.200 -0.234 0.000 2.038 258 E HA -0.201 4.148 4.350 -0.003 0.000 0.195 258 E C 2.037 178.576 176.600 -0.102 0.000 1.000 258 E CA 1.772 58.081 56.400 -0.150 0.000 0.803 258 E CB -0.115 29.536 29.700 -0.081 0.000 0.750 258 E HN 0.173 nan 8.360 nan 0.000 0.448 259 V N 1.528 121.401 119.914 -0.068 0.000 2.332 259 V HA -0.274 3.845 4.120 -0.003 0.000 0.248 259 V C 2.284 178.344 176.094 -0.056 0.000 1.055 259 V CA 1.560 63.863 62.300 0.005 0.000 1.038 259 V CB -0.447 31.483 31.823 0.178 0.000 0.651 259 V HN 0.268 nan 8.190 nan 0.000 0.450 260 L N -0.661 120.458 121.223 -0.173 0.000 2.044 260 L HA -0.150 4.188 4.340 -0.003 0.000 0.205 260 L C 2.580 179.445 176.870 -0.010 0.000 1.075 260 L CA 1.610 56.382 54.840 -0.113 0.000 0.747 260 L CB -0.634 41.324 42.059 -0.170 0.000 0.903 260 L HN 0.343 nan 8.230 nan 0.000 0.435 261 E N 0.025 120.196 120.200 -0.049 0.000 2.085 261 E HA -0.288 4.060 4.350 -0.003 0.000 0.194 261 E C 2.070 178.657 176.600 -0.021 0.000 0.994 261 E CA 1.322 57.698 56.400 -0.039 0.000 0.801 261 E CB -0.026 29.569 29.700 -0.174 0.000 0.743 261 E HN 0.417 nan 8.360 nan 0.000 0.453 262 E N 0.054 120.235 120.200 -0.032 0.000 2.153 262 E HA -0.153 4.195 4.350 -0.003 0.000 0.194 262 E C 1.724 178.329 176.600 0.008 0.000 0.988 262 E CA 0.824 57.217 56.400 -0.011 0.000 0.811 262 E CB 0.005 29.702 29.700 -0.005 0.000 0.746 262 E HN 0.216 nan 8.360 nan 0.000 0.466 263 A N 0.111 122.940 122.820 0.014 0.000 2.235 263 A HA 0.187 4.505 4.320 -0.003 0.000 0.208 263 A C 1.401 179.000 177.584 0.025 0.000 1.172 263 A CA 0.807 52.858 52.037 0.024 0.000 0.786 263 A CB -0.393 18.625 19.000 0.031 0.000 0.804 263 A HN 0.350 nan 8.150 nan 0.000 0.479 264 G N -0.368 108.448 108.800 0.028 0.000 2.333 264 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.296 264 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.296 264 G C 0.217 175.142 174.900 0.041 0.000 1.059 264 G CA 0.866 45.989 45.100 0.037 0.000 1.050 264 G HN 0.692 nan 8.290 nan 0.000 0.508 265 E N -1.561 118.672 120.200 0.055 0.000 2.633 265 E HA 0.283 4.631 4.350 -0.003 0.000 0.222 265 E C 1.425 178.042 176.600 0.027 0.000 0.899 265 E CA 0.207 56.626 56.400 0.031 0.000 1.292 265 E CB -0.105 29.606 29.700 0.019 0.000 1.257 265 E HN 0.378 nan 8.360 nan 0.000 0.626 266 F N 1.794 121.700 119.950 -0.072 0.000 2.084 266 F HA -0.018 4.507 4.527 -0.004 0.000 0.296 266 F C 2.159 177.928 175.800 -0.051 0.000 1.111 266 F CA 2.620 60.568 58.000 -0.086 0.000 1.224 266 F CB -0.423 38.515 39.000 -0.103 0.000 0.991 266 F HN 0.166 nan 8.300 nan 0.000 0.471 267 E N 0.452 120.639 120.200 -0.022 0.000 2.158 267 E HA 0.075 4.423 4.350 -0.003 0.000 0.191 267 E C 2.173 178.718 176.600 -0.091 0.000 0.982 267 E CA 0.964 57.315 56.400 -0.081 0.000 0.823 267 E CB -1.355 28.382 29.700 0.061 0.000 0.766 267 E HN 0.568 nan 8.360 nan 0.000 0.468 268 A N 0.843 123.634 122.820 -0.048 0.000 1.908 268 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 268 A C 2.399 179.946 177.584 -0.062 0.000 1.181 268 A CA 1.832 53.848 52.037 -0.035 0.000 0.627 268 A CB -0.361 18.633 19.000 -0.011 0.000 0.818 268 A HN 0.423 nan 8.150 nan 0.000 0.445 269 R N -0.890 119.544 120.500 -0.110 0.000 2.081 269 R HA -0.056 4.282 4.340 -0.003 0.000 0.235 269 R C 2.522 178.748 176.300 -0.124 0.000 1.131 269 R CA 1.595 57.626 56.100 -0.115 0.000 0.960 269 R CB -0.237 29.976 30.300 -0.144 0.000 0.856 269 R HN 0.510 nan 8.270 nan 0.000 0.436 270 R N -0.120 120.258 120.500 -0.203 0.000 2.073 270 R HA -0.069 4.269 4.340 -0.003 0.000 0.234 270 R C 2.325 178.598 176.300 -0.046 0.000 1.134 270 R CA 1.402 57.414 56.100 -0.146 0.000 0.952 270 R CB -0.178 29.989 30.300 -0.221 0.000 0.850 270 R HN 0.172 nan 8.270 nan 0.000 0.433 271 R N -0.322 120.155 120.500 -0.039 0.000 2.091 271 R HA -0.107 4.231 4.340 -0.003 0.000 0.238 271 R C 2.248 178.566 176.300 0.030 0.000 1.136 271 R CA 1.937 58.042 56.100 0.007 0.000 0.959 271 R CB -0.456 29.848 30.300 0.007 0.000 0.856 271 R HN 0.224 nan 8.270 nan 0.000 0.437 272 T N 1.046 115.610 114.554 0.017 0.000 2.788 272 T HA -0.169 4.179 4.350 -0.003 0.000 0.268 272 T C 1.762 176.499 174.700 0.061 0.000 1.044 272 T CA 1.200 63.323 62.100 0.039 0.000 1.139 272 T CB -0.107 68.772 68.868 0.018 0.000 0.867 272 T HN 0.359 nan 8.240 nan 0.000 0.454 273 Q N 0.385 120.210 119.800 0.040 0.000 2.135 273 Q HA -0.134 4.204 4.340 -0.003 0.000 0.204 273 Q C 2.663 178.752 176.000 0.148 0.000 0.981 273 Q CA 1.032 56.874 55.803 0.064 0.000 0.856 273 Q CB -0.094 28.653 28.738 0.015 0.000 0.902 273 Q HN 0.460 nan 8.270 nan 0.000 0.425 274 Q N -0.231 119.657 119.800 0.146 0.000 2.119 274 Q HA -0.092 4.246 4.340 -0.003 0.000 0.201 274 Q C 2.264 178.372 176.000 0.181 0.000 0.972 274 Q CA 1.023 56.959 55.803 0.221 0.000 0.847 274 Q CB -0.206 28.622 28.738 0.151 0.000 0.903 274 Q HN 0.266 nan 8.270 nan 0.000 0.433 275 V N 1.232 121.227 119.914 0.135 0.000 2.358 275 V HA -0.205 3.913 4.120 -0.003 0.000 0.246 275 V C 2.094 178.326 176.094 0.231 0.000 1.047 275 V CA 1.625 64.008 62.300 0.138 0.000 1.035 275 V CB -0.416 31.502 31.823 0.158 0.000 0.658 275 V HN 0.352 nan 8.190 nan 0.000 0.452 276 E N -1.199 119.141 120.200 0.233 0.000 2.150 276 E HA -0.259 4.089 4.350 -0.003 0.000 0.193 276 E C 1.944 178.721 176.600 0.295 0.000 0.985 276 E CA 1.502 58.056 56.400 0.256 0.000 0.814 276 E CB -0.170 29.629 29.700 0.166 0.000 0.752 276 E HN 0.766 nan 8.360 nan 0.000 0.466 277 W N 1.580 122.914 121.300 0.057 0.000 2.418 277 W HA -0.095 4.563 4.660 -0.003 0.000 0.292 277 W C 1.947 178.465 176.519 -0.001 0.000 1.213 277 W CA 1.580 58.941 57.345 0.026 0.000 1.283 277 W CB -0.608 28.852 29.460 0.001 0.000 1.119 277 W HN -0.116 nan 8.180 nan 0.000 0.542 278 T N 0.211 114.643 114.554 -0.203 0.000 2.597 278 T HA -0.336 4.013 4.350 -0.003 0.000 0.267 278 T C 1.381 175.867 174.700 -0.357 0.000 1.053 278 T CA 2.546 64.383 62.100 -0.439 0.000 1.165 278 T CB -1.050 67.550 68.868 -0.448 0.000 0.863 278 T HN 0.334 nan 8.240 nan 0.000 0.427 279 W N 1.225 122.485 121.300 -0.067 0.000 2.402 279 W HA -0.048 4.610 4.660 -0.004 0.000 0.286 279 W C 3.039 179.544 176.519 -0.024 0.000 1.221 279 W CA 0.813 58.134 57.345 -0.040 0.000 1.257 279 W CB -0.354 29.098 29.460 -0.013 0.000 1.120 279 W HN 0.323 nan 8.180 nan 0.000 0.551 280 S N -0.126 115.704 115.700 0.216 0.000 2.428 280 S HA -0.162 4.306 4.470 -0.003 0.000 0.230 280 S C 1.700 176.357 174.600 0.096 0.000 1.014 280 S CA 1.093 59.398 58.200 0.176 0.000 0.957 280 S CB -0.429 62.897 63.200 0.210 0.000 0.784 280 S HN 0.240 nan 8.310 nan 0.000 0.499 281 M N 0.890 120.477 119.600 -0.022 0.000 2.175 281 M HA -0.034 4.444 4.480 -0.003 0.000 0.264 281 M C 2.219 178.485 176.300 -0.056 0.000 1.063 281 M CA 1.289 56.540 55.300 -0.082 0.000 1.119 281 M CB -0.579 31.863 32.600 -0.263 0.000 1.377 281 M HN 0.249 nan 8.290 nan 0.000 0.415 282 V N 0.429 120.305 119.914 -0.063 0.000 2.295 282 V HA -0.278 3.841 4.120 -0.003 0.000 0.246 282 V C 2.342 178.481 176.094 0.075 0.000 1.049 282 V CA 1.843 64.136 62.300 -0.012 0.000 1.024 282 V CB -0.780 31.049 31.823 0.010 0.000 0.648 282 V HN 0.441 nan 8.190 nan 0.000 0.447 283 R N -0.055 120.522 120.500 0.129 0.000 2.091 283 R HA -0.175 4.163 4.340 -0.003 0.000 0.238 283 R C 2.087 178.429 176.300 0.069 0.000 1.136 283 R CA 1.806 57.971 56.100 0.109 0.000 0.959 283 R CB -0.548 29.821 30.300 0.116 0.000 0.856 283 R HN 0.531 nan 8.270 nan 0.000 0.437 284 D N 0.492 120.928 120.400 0.061 0.000 2.117 284 D HA -0.102 4.536 4.640 -0.003 0.000 0.197 284 D C 1.826 178.148 176.300 0.036 0.000 0.987 284 D CA 1.453 55.483 54.000 0.049 0.000 0.829 284 D CB -0.244 40.589 40.800 0.055 0.000 0.961 284 D HN 0.225 nan 8.370 nan 0.000 0.460 285 A N 0.601 123.436 122.820 0.024 0.000 1.858 285 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 285 A C 2.551 180.149 177.584 0.024 0.000 1.190 285 A CA 1.288 53.334 52.037 0.015 0.000 0.617 285 A CB -0.864 18.132 19.000 -0.005 0.000 0.827 285 A HN 0.138 nan 8.150 nan 0.000 0.443 286 V N 0.113 120.046 119.914 0.032 0.000 2.343 286 V HA -0.239 3.879 4.120 -0.003 0.000 0.247 286 V C 2.553 178.670 176.094 0.037 0.000 1.051 286 V CA 1.990 64.312 62.300 0.037 0.000 1.036 286 V CB -0.635 31.217 31.823 0.048 0.000 0.654 286 V HN 0.556 nan 8.190 nan 0.000 0.451 287 L N -0.640 120.606 121.223 0.039 0.000 2.156 287 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 287 L C 2.265 179.157 176.870 0.037 0.000 1.095 287 L CA 1.156 56.018 54.840 0.036 0.000 0.770 287 L CB -0.670 41.411 42.059 0.035 0.000 0.914 287 L HN 0.301 nan 8.230 nan 0.000 0.439 288 D N 0.535 120.957 120.400 0.037 0.000 2.149 288 D HA -0.178 4.460 4.640 -0.003 0.000 0.198 288 D C 2.515 178.842 176.300 0.045 0.000 0.990 288 D CA 1.561 55.583 54.000 0.037 0.000 0.839 288 D CB -0.021 40.797 40.800 0.031 0.000 0.948 288 D HN 0.229 nan 8.370 nan 0.000 0.460 289 R N 0.654 121.182 120.500 0.047 0.000 2.105 289 R HA -0.096 4.242 4.340 -0.003 0.000 0.239 289 R C 2.448 178.811 176.300 0.105 0.000 1.135 289 R CA 1.566 57.706 56.100 0.066 0.000 0.967 289 R CB -1.421 28.914 30.300 0.059 0.000 0.861 289 R HN 0.231 nan 8.270 nan 0.000 0.442 290 V N 0.359 120.317 119.914 0.075 0.000 2.346 290 V HA -0.153 3.965 4.120 -0.003 0.000 0.244 290 V C 2.616 178.756 176.094 0.077 0.000 1.037 290 V CA 1.636 63.976 62.300 0.066 0.000 1.029 290 V CB -0.264 31.574 31.823 0.026 0.000 0.663 290 V HN 0.454 nan 8.190 nan 0.000 0.454 291 M N 0.306 119.941 119.600 0.059 0.000 2.254 291 M HA -0.004 4.474 4.480 -0.003 0.000 0.265 291 M C 1.491 177.827 176.300 0.060 0.000 1.066 291 M CA 1.266 56.597 55.300 0.050 0.000 1.123 291 M CB -1.231 31.391 32.600 0.037 0.000 1.388 291 M HN 0.357 nan 8.290 nan 0.000 0.425 292 N N -0.659 118.080 118.700 0.066 0.000 2.280 292 N HA -0.031 4.708 4.740 -0.003 0.000 0.192 292 N C 0.337 175.887 175.510 0.068 0.000 1.109 292 N CA 0.126 53.207 53.050 0.051 0.000 0.855 292 N CB -0.226 38.278 38.487 0.029 0.000 0.974 292 N HN 0.342 nan 8.380 nan 0.000 0.482 293 H N 3.302 122.376 119.070 0.007 0.000 3.004 293 H HA 0.024 4.578 4.556 -0.003 0.000 0.316 293 H C -1.354 173.977 175.328 0.005 0.000 1.014 293 H CA -0.862 55.189 56.048 0.005 0.000 1.454 293 H CB 1.346 31.111 29.762 0.005 0.000 1.472 293 H HN 0.020 nan 8.280 nan 0.000 0.571 294 P HA -0.164 nan 4.420 nan 0.000 0.218 294 P C 1.249 178.643 177.300 0.157 0.000 1.148 294 P CA 1.158 64.291 63.100 0.055 0.000 0.822 294 P CB 0.491 32.171 31.700 -0.033 0.000 0.784 295 E N 0.087 120.500 120.200 0.355 0.000 2.107 295 E HA -0.091 4.257 4.350 -0.003 0.000 0.191 295 E C 1.939 178.599 176.600 0.100 0.000 0.982 295 E CA 0.734 57.257 56.400 0.204 0.000 0.809 295 E CB -1.057 28.756 29.700 0.189 0.000 0.756 295 E HN -0.099 nan 8.360 nan 0.000 0.459 296 V N 0.833 120.807 119.914 0.100 0.000 2.295 296 V HA -0.265 3.853 4.120 -0.003 0.000 0.246 296 V C 2.350 178.472 176.094 0.047 0.000 1.049 296 V CA 2.287 64.606 62.300 0.033 0.000 1.024 296 V CB -0.474 31.365 31.823 0.027 0.000 0.648 296 V HN 0.243 nan 8.190 nan 0.000 0.447 297 R N -0.557 119.985 120.500 0.070 0.000 2.120 297 R HA -0.144 4.194 4.340 -0.003 0.000 0.234 297 R C 2.537 178.858 176.300 0.035 0.000 1.123 297 R CA 1.419 57.547 56.100 0.046 0.000 0.975 297 R CB -0.352 29.975 30.300 0.045 0.000 0.866 297 R HN 0.410 nan 8.270 nan 0.000 0.446 298 R N 1.235 121.759 120.500 0.041 0.000 2.073 298 R HA -0.069 4.270 4.340 -0.003 0.000 0.229 298 R C 2.172 178.485 176.300 0.021 0.000 1.120 298 R CA 1.551 57.669 56.100 0.030 0.000 0.967 298 R CB -0.055 30.266 30.300 0.035 0.000 0.862 298 R HN 0.348 nan 8.270 nan 0.000 0.436 299 I N -1.177 119.405 120.570 0.019 0.000 3.603 299 I HA 0.027 4.195 4.170 -0.003 0.000 0.297 299 I C 1.970 178.091 176.117 0.007 0.000 1.269 299 I CA 0.182 61.488 61.300 0.010 0.000 1.361 299 I CB -0.125 37.877 38.000 0.004 0.000 1.063 299 I HN 0.019 nan 8.210 nan 0.000 0.448 300 R N 1.359 121.865 120.500 0.010 0.000 2.096 300 R HA -0.200 4.138 4.340 -0.003 0.000 0.235 300 R C 1.603 177.907 176.300 0.007 0.000 1.127 300 R CA 2.109 58.213 56.100 0.008 0.000 0.968 300 R CB -0.954 29.352 30.300 0.011 0.000 0.861 300 R HN 0.340 nan 8.270 nan 0.000 0.440 301 D N 0.612 121.017 120.400 0.008 0.000 2.117 301 D HA -0.207 4.431 4.640 -0.003 0.000 0.197 301 D C 1.589 177.892 176.300 0.005 0.000 0.987 301 D CA 1.750 55.754 54.000 0.007 0.000 0.829 301 D CB -0.241 40.563 40.800 0.008 0.000 0.961 301 D HN 0.368 nan 8.370 nan 0.000 0.460 302 D N -1.071 119.332 120.400 0.005 0.000 2.144 302 D HA -0.106 4.532 4.640 -0.003 0.000 0.200 302 D C 2.029 178.330 176.300 0.002 0.000 0.978 302 D CA 0.733 54.735 54.000 0.003 0.000 0.833 302 D CB 0.048 40.850 40.800 0.004 0.000 0.961 302 D HN 0.103 nan 8.370 nan 0.000 0.470 303 V N 0.655 120.570 119.914 0.001 0.000 2.287 303 V HA -0.240 3.879 4.120 -0.003 0.000 0.248 303 V C 2.286 178.380 176.094 -0.000 0.000 1.053 303 V CA 2.095 64.394 62.300 -0.001 0.000 1.027 303 V CB -0.556 31.265 31.823 -0.003 0.000 0.646 303 V HN 0.283 nan 8.190 nan 0.000 0.447 304 E N -0.657 119.543 120.200 0.001 0.000 2.110 304 E HA -0.230 4.118 4.350 -0.003 0.000 0.193 304 E C 2.402 179.003 176.600 0.001 0.000 0.988 304 E CA 1.030 57.431 56.400 0.001 0.000 0.804 304 E CB -0.170 29.532 29.700 0.003 0.000 0.745 304 E HN 0.549 nan 8.360 nan 0.000 0.458 305 Q N 0.569 120.370 119.800 0.002 0.000 2.061 305 Q HA -0.153 4.185 4.340 -0.003 0.000 0.204 305 Q C 2.167 178.168 176.000 0.001 0.000 0.984 305 Q CA 1.353 57.157 55.803 0.002 0.000 0.846 305 Q CB -0.249 28.490 28.738 0.002 0.000 0.902 305 Q HN 0.226 nan 8.270 nan 0.000 0.421 306 R N -0.283 120.217 120.500 0.000 0.000 2.120 306 R HA -0.076 4.262 4.340 -0.003 0.000 0.234 306 R C 2.412 178.711 176.300 -0.001 0.000 1.123 306 R CA 0.902 57.001 56.100 -0.000 0.000 0.975 306 R CB -0.197 30.102 30.300 -0.001 0.000 0.866 306 R HN 0.047 nan 8.270 nan 0.000 0.446 307 V N 0.724 120.638 119.914 -0.001 0.000 2.295 307 V HA -0.260 3.858 4.120 -0.003 0.000 0.246 307 V C 2.217 178.311 176.094 -0.001 0.000 1.049 307 V CA 1.767 64.066 62.300 -0.001 0.000 1.024 307 V CB -0.421 31.401 31.823 -0.001 0.000 0.648 307 V HN 0.295 nan 8.190 nan 0.000 0.447 308 R N -0.309 120.191 120.500 0.000 0.000 2.091 308 R HA -0.112 4.227 4.340 -0.003 0.000 0.238 308 R C 2.086 178.386 176.300 0.000 0.000 1.136 308 R CA 1.402 57.502 56.100 0.001 0.000 0.959 308 R CB -0.372 29.929 30.300 0.001 0.000 0.856 308 R HN 0.425 nan 8.270 nan 0.000 0.437 309 L N -0.474 120.750 121.223 0.000 0.000 2.599 309 L HA 0.143 4.481 4.340 -0.003 0.000 0.230 309 L C 1.151 178.021 176.870 -0.000 0.000 1.141 309 L CA 0.407 55.247 54.840 0.000 0.000 0.877 309 L CB 0.032 42.092 42.059 0.001 0.000 1.009 309 L HN 0.471 nan 8.230 nan 0.000 0.447 310 G N 0.391 109.191 108.800 -0.001 0.000 2.153 310 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.252 310 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.252 310 G C 0.656 175.555 174.900 -0.001 0.000 0.994 310 G CA 0.546 45.645 45.100 -0.001 0.000 0.698 310 G HN 0.527 nan 8.290 nan 0.000 0.521 311 E N -1.508 118.691 120.200 -0.001 0.000 2.442 311 E HA 0.321 4.669 4.350 -0.003 0.000 0.195 311 E C 0.439 177.037 176.600 -0.002 0.000 1.030 311 E CA 0.236 56.635 56.400 -0.001 0.000 0.869 311 E CB 0.451 30.150 29.700 -0.001 0.000 0.857 311 E HN 0.374 nan 8.360 nan 0.000 0.505 312 L N 0.723 121.945 121.223 -0.002 0.000 2.455 312 L HA 0.191 4.529 4.340 -0.003 0.000 0.264 312 L C -0.221 176.647 176.870 -0.003 0.000 0.968 312 L CA -0.616 54.222 54.840 -0.003 0.000 0.827 312 L CB 1.953 44.010 42.059 -0.003 0.000 1.317 312 L HN -0.094 nan 8.230 nan 0.000 0.407 313 T N 1.408 115.960 114.554 -0.004 0.000 2.828 313 T HA 0.388 4.736 4.350 -0.003 0.000 0.290 313 T C -2.031 172.666 174.700 -0.005 0.000 1.019 313 T CA -1.240 60.858 62.100 -0.004 0.000 1.031 313 T CB 0.865 69.731 68.868 -0.004 0.000 1.001 313 T HN 0.509 nan 8.240 nan 0.000 0.531 314 P HA -0.020 nan 4.420 nan 0.000 0.216 314 P C 1.613 178.909 177.300 -0.006 0.000 1.150 314 P CA 1.448 64.545 63.100 -0.005 0.000 0.837 314 P CB -0.282 31.415 31.700 -0.005 0.000 0.786 315 A N -0.776 122.040 122.820 -0.007 0.000 1.898 315 A HA -0.125 4.193 4.320 -0.003 0.000 0.216 315 A C 2.163 179.742 177.584 -0.008 0.000 1.181 315 A CA 1.256 53.289 52.037 -0.008 0.000 0.620 315 A CB -1.569 17.426 19.000 -0.007 0.000 0.819 315 A HN 0.112 nan 8.150 nan 0.000 0.442 316 L N -0.823 120.395 121.223 -0.008 0.000 2.141 316 L HA -0.158 4.181 4.340 -0.003 0.000 0.209 316 L C 3.008 179.872 176.870 -0.009 0.000 1.094 316 L CA 0.941 55.777 54.840 -0.008 0.000 0.763 316 L CB -0.451 41.604 42.059 -0.007 0.000 0.908 316 L HN 0.435 nan 8.230 nan 0.000 0.437 317 A N -0.031 122.784 122.820 -0.008 0.000 1.897 317 A HA -0.055 4.263 4.320 -0.003 0.000 0.215 317 A C 2.554 180.131 177.584 -0.011 0.000 1.181 317 A CA 1.367 53.399 52.037 -0.009 0.000 0.620 317 A CB -0.606 18.390 19.000 -0.006 0.000 0.821 317 A HN 0.351 nan 8.150 nan 0.000 0.443 318 A N -0.804 122.010 122.820 -0.011 0.000 1.908 318 A HA -0.224 4.094 4.320 -0.003 0.000 0.218 318 A C 2.150 179.724 177.584 -0.017 0.000 1.181 318 A CA 2.162 54.192 52.037 -0.013 0.000 0.627 318 A CB -0.532 18.462 19.000 -0.011 0.000 0.818 318 A HN 0.511 nan 8.150 nan 0.000 0.445 319 Q N -0.165 119.626 119.800 -0.016 0.000 2.124 319 Q HA -0.167 4.171 4.340 -0.003 0.000 0.202 319 Q C 1.882 177.868 176.000 -0.023 0.000 0.977 319 Q CA 2.142 57.935 55.803 -0.018 0.000 0.850 319 Q CB -0.310 28.419 28.738 -0.015 0.000 0.901 319 Q HN 0.773 nan 8.270 nan 0.000 0.429 320 E N -0.738 119.449 120.200 -0.021 0.000 2.106 320 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 320 E C 1.742 178.321 176.600 -0.034 0.000 0.984 320 E CA 1.129 57.515 56.400 -0.024 0.000 0.806 320 E CB -0.098 29.591 29.700 -0.017 0.000 0.750 320 E HN 0.464 nan 8.360 nan 0.000 0.458 321 I N 0.468 121.019 120.570 -0.032 0.000 2.252 321 I HA -0.263 3.905 4.170 -0.003 0.000 0.245 321 I C 2.173 178.253 176.117 -0.063 0.000 1.102 321 I CA 0.787 62.062 61.300 -0.042 0.000 1.385 321 I CB -0.065 37.919 38.000 -0.027 0.000 1.064 321 I HN 0.170 nan 8.210 nan 0.000 0.414 322 L N 0.088 121.282 121.223 -0.049 0.000 2.083 322 L HA -0.229 4.109 4.340 -0.003 0.000 0.209 322 L C 2.075 178.901 176.870 -0.072 0.000 1.083 322 L CA 1.160 55.967 54.840 -0.055 0.000 0.752 322 L CB -0.658 41.380 42.059 -0.034 0.000 0.899 322 L HN 0.243 nan 8.230 nan 0.000 0.433 323 D N 0.262 120.625 120.400 -0.061 0.000 2.117 323 D HA -0.158 4.480 4.640 -0.003 0.000 0.197 323 D C 2.260 178.502 176.300 -0.096 0.000 0.987 323 D CA 1.496 55.459 54.000 -0.061 0.000 0.829 323 D CB -0.105 40.671 40.800 -0.041 0.000 0.961 323 D HN 0.291 nan 8.370 nan 0.000 0.460 324 A N 0.684 123.434 122.820 -0.115 0.000 1.978 324 A HA -0.040 4.278 4.320 -0.003 0.000 0.220 324 A C 2.077 179.434 177.584 -0.379 0.000 1.170 324 A CA 1.903 53.842 52.037 -0.163 0.000 0.636 324 A CB -0.421 18.506 19.000 -0.123 0.000 0.810 324 A HN 0.227 nan 8.150 nan 0.000 0.448 325 A N -1.259 121.323 122.820 -0.397 0.000 2.337 325 A HA 0.271 4.590 4.320 -0.003 0.000 0.227 325 A C 1.084 178.510 177.584 -0.262 0.000 1.259 325 A CA 0.091 51.766 52.037 -0.603 0.000 0.870 325 A CB -0.269 18.547 19.000 -0.307 0.000 0.927 325 A HN 0.660 nan 8.150 nan 0.000 0.497 326 Q N 0.000 119.707 119.800 -0.156 0.000 2.315 326 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 326 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 326 Q CB 0.000 28.715 28.738 -0.039 0.000 1.108 326 Q HN 0.000 nan 8.270 nan 0.000 0.481