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 1pbn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MANGYTYEDY QDTAKWLLSH TEQRPQVAVI CGSGLGGLVN KLTQAQTFDY DATA SEQUENCE SEIPNFPEST VPGHAGRLVF GILNGRACVM MQGRFHMYEG YPFWKVTFPV DATA SEQUENCE RVFRLLGVET LVVTNAAGGL NPNFEVGDIM LIRDHINLPG FSGENPLRGP DATA SEQUENCE NEERFGVRFP AMSDAYDRDM RQKAHSTWKQ MGEQRELQEG TYVMLGGPNF DATA SEQUENCE ETVAECRLLR NLGADAVGMS TVPEVIVARH CGLRVFGFSL ITNKVIMDTE DATA SEQUENCE SQGKANHEEV LEAGKQAAQK LEQFVSLLMA SIPVSGHTG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.348 176.300 0.079 0.000 1.140 1 M CA 0.000 55.365 55.300 0.108 0.000 0.988 1 M CB 0.000 32.703 32.600 0.172 0.000 1.302 2 A N 1.126 123.971 122.820 0.042 0.000 2.605 2 A HA 0.670 4.990 4.320 -0.000 0.000 0.294 2 A C -1.513 175.801 177.584 -0.450 0.000 1.062 2 A CA -0.749 51.225 52.037 -0.105 0.000 0.682 2 A CB 1.545 20.479 19.000 -0.111 0.000 1.278 2 A HN 0.893 nan 8.150 nan 0.000 0.410 3 N N 0.050 118.462 118.700 -0.480 0.000 2.395 3 N HA 0.175 4.915 4.740 -0.000 0.000 0.246 3 N C 0.993 175.879 175.510 -1.041 0.000 1.246 3 N CA 1.361 53.914 53.050 -0.828 0.000 0.879 3 N CB 1.120 39.467 38.487 -0.233 0.000 1.098 3 N HN 0.904 nan 8.380 nan 0.000 0.444 4 G N 1.762 109.588 108.800 -1.624 0.000 3.104 4 G HA2 0.071 4.031 3.960 -0.000 0.000 0.237 4 G HA3 0.071 4.031 3.960 -0.000 0.000 0.237 4 G C -0.510 173.969 174.900 -0.700 0.000 1.035 4 G CA -0.019 44.366 45.100 -1.190 0.000 0.844 4 G HN 0.506 nan 8.290 nan 0.000 0.531 5 Y N 2.033 122.110 120.300 -0.371 0.000 2.320 5 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 5 Y C 0.970 176.857 175.900 -0.021 0.000 1.055 5 Y CA -0.959 57.022 58.100 -0.198 0.000 1.143 5 Y CB 1.512 39.800 38.460 -0.288 0.000 1.193 5 Y HN 0.013 nan 8.280 nan 0.000 0.477 6 T N -0.792 113.866 114.554 0.173 0.000 2.918 6 T HA 0.098 4.448 4.350 -0.000 0.000 0.283 6 T C 0.857 175.803 174.700 0.410 0.000 1.001 6 T CA -0.533 61.711 62.100 0.239 0.000 1.041 6 T CB 0.624 69.577 68.868 0.141 0.000 1.028 6 T HN 0.687 nan 8.240 nan 0.000 0.511 7 Y N 1.530 122.038 120.300 0.347 0.000 2.181 7 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 7 Y C 2.179 178.277 175.900 0.330 0.000 1.179 7 Y CA 2.185 60.515 58.100 0.383 0.000 1.179 7 Y CB -0.328 38.182 38.460 0.083 0.000 0.973 7 Y HN 0.801 nan 8.280 nan 0.000 0.519 8 E N 0.121 120.486 120.200 0.276 0.000 2.150 8 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 8 E C 1.777 178.438 176.600 0.102 0.000 0.985 8 E CA 1.361 57.857 56.400 0.160 0.000 0.814 8 E CB -0.327 29.463 29.700 0.150 0.000 0.752 8 E HN 0.520 nan 8.360 nan 0.000 0.466 9 D N -0.353 120.107 120.400 0.101 0.000 2.104 9 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 9 D C 1.722 178.038 176.300 0.027 0.000 0.994 9 D CA 1.144 55.172 54.000 0.047 0.000 0.830 9 D CB -0.376 40.452 40.800 0.047 0.000 0.959 9 D HN 0.326 nan 8.370 nan 0.000 0.452 10 Y N 1.253 121.582 120.300 0.048 0.000 2.200 10 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 10 Y C 2.667 178.499 175.900 -0.113 0.000 1.137 10 Y CA 0.919 58.947 58.100 -0.121 0.000 1.163 10 Y CB -0.410 37.941 38.460 -0.182 0.000 0.988 10 Y HN -0.007 nan 8.280 nan 0.000 0.518 11 Q N 0.110 119.920 119.800 0.016 0.000 2.084 11 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 11 Q C 1.490 177.537 176.000 0.078 0.000 0.978 11 Q CA 1.642 57.446 55.803 0.002 0.000 0.844 11 Q CB -0.245 28.480 28.738 -0.022 0.000 0.898 11 Q HN 0.528 nan 8.270 nan 0.000 0.426 12 D N -0.265 120.191 120.400 0.095 0.000 2.144 12 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 12 D C 1.833 178.237 176.300 0.172 0.000 0.984 12 D CA 1.346 55.422 54.000 0.126 0.000 0.834 12 D CB -0.274 40.589 40.800 0.104 0.000 0.955 12 D HN 0.177 nan 8.370 nan 0.000 0.465 13 T N 0.522 115.171 114.554 0.157 0.000 2.737 13 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 13 T C 2.044 176.882 174.700 0.230 0.000 1.038 13 T CA 1.450 63.668 62.100 0.196 0.000 1.144 13 T CB -0.310 68.690 68.868 0.220 0.000 0.866 13 T HN 0.185 nan 8.240 nan 0.000 0.434 14 A N 1.966 124.883 122.820 0.161 0.000 1.902 14 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 14 A C 2.269 179.952 177.584 0.164 0.000 1.181 14 A CA 1.249 53.381 52.037 0.159 0.000 0.623 14 A CB -0.306 18.759 19.000 0.109 0.000 0.818 14 A HN 0.202 nan 8.150 nan 0.000 0.443 15 K N -1.383 119.111 120.400 0.157 0.000 2.148 15 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 15 K C 1.599 178.306 176.600 0.179 0.000 1.050 15 K CA 1.154 57.523 56.287 0.137 0.000 0.942 15 K CB -0.579 31.994 32.500 0.122 0.000 0.724 15 K HN 0.782 nan 8.250 nan 0.000 0.446 16 W N 1.793 123.132 121.300 0.065 0.000 2.354 16 W HA -0.116 4.544 4.660 -0.000 0.000 0.315 16 W C 1.792 178.367 176.519 0.094 0.000 1.206 16 W CA 1.268 58.666 57.345 0.088 0.000 1.290 16 W CB -0.321 29.145 29.460 0.011 0.000 1.152 16 W HN -0.079 nan 8.180 nan 0.000 0.489 17 L N 0.140 121.506 121.223 0.238 0.000 2.012 17 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 17 L C 2.481 179.285 176.870 -0.109 0.000 1.073 17 L CA 1.420 56.245 54.840 -0.025 0.000 0.748 17 L CB -1.169 40.969 42.059 0.132 0.000 0.891 17 L HN 0.050 nan 8.230 nan 0.000 0.431 18 L N -0.296 120.919 121.223 -0.013 0.000 2.261 18 L HA -0.156 4.184 4.340 -0.000 0.000 0.216 18 L C 2.210 179.019 176.870 -0.101 0.000 1.114 18 L CA 1.265 56.080 54.840 -0.043 0.000 0.777 18 L CB -0.509 41.555 42.059 0.009 0.000 0.910 18 L HN 0.398 nan 8.230 nan 0.000 0.440 19 S N -3.166 112.456 115.700 -0.130 0.000 2.614 19 S HA 0.053 4.523 4.470 -0.000 0.000 0.230 19 S C 0.707 174.971 174.600 -0.560 0.000 0.952 19 S CA -0.305 57.734 58.200 -0.267 0.000 0.949 19 S CB -0.192 62.861 63.200 -0.244 0.000 0.786 19 S HN 0.466 nan 8.310 nan 0.000 0.478 20 H N 0.117 118.981 119.070 -0.344 0.000 3.367 20 H HA 0.424 4.980 4.556 -0.000 0.000 0.257 20 H C -0.093 175.160 175.328 -0.126 0.000 1.201 20 H CA 0.168 56.041 56.048 -0.290 0.000 1.102 20 H CB 1.381 30.839 29.762 -0.507 0.000 1.656 20 H HN 0.397 nan 8.280 nan 0.000 0.662 21 T N -0.089 114.392 114.554 -0.121 0.000 2.942 21 T HA 0.085 4.435 4.350 -0.000 0.000 0.327 21 T C 0.073 174.685 174.700 -0.147 0.000 1.360 21 T CA -0.642 61.369 62.100 -0.148 0.000 1.055 21 T CB 1.400 70.080 68.868 -0.313 0.000 1.261 21 T HN 0.309 nan 8.240 nan 0.000 0.485 22 E N 3.075 123.212 120.200 -0.104 0.000 2.474 22 E HA 0.075 4.425 4.350 -0.000 0.000 0.194 22 E C 0.055 176.625 176.600 -0.050 0.000 1.041 22 E CA 0.111 56.468 56.400 -0.072 0.000 0.874 22 E CB 0.168 29.837 29.700 -0.052 0.000 0.914 22 E HN 0.733 nan 8.360 nan 0.000 0.498 23 Q N 1.199 120.964 119.800 -0.059 0.000 2.332 23 Q HA 0.225 4.565 4.340 -0.000 0.000 0.263 23 Q C -0.253 175.770 176.000 0.038 0.000 0.979 23 Q CA 0.132 55.939 55.803 0.006 0.000 0.885 23 Q CB 0.813 29.587 28.738 0.060 0.000 1.218 23 Q HN -0.041 nan 8.270 nan 0.000 0.405 24 R N 3.254 123.793 120.500 0.066 0.000 2.494 24 R HA 0.313 4.653 4.340 -0.000 0.000 0.284 24 R C -2.466 173.881 176.300 0.078 0.000 1.525 24 R CA -1.721 54.424 56.100 0.076 0.000 1.460 24 R CB 0.658 30.981 30.300 0.038 0.000 1.134 24 R HN 0.567 nan 8.270 nan 0.000 0.592 25 P HA 0.194 nan 4.420 nan 0.000 0.275 25 P C -0.187 177.114 177.300 0.001 0.000 1.227 25 P CA -0.241 62.889 63.100 0.050 0.000 0.781 25 P CB 1.388 33.113 31.700 0.041 0.000 0.906 26 Q N 0.395 120.179 119.800 -0.026 0.000 2.352 26 Q HA 0.172 4.512 4.340 -0.000 0.000 0.212 26 Q C 0.052 176.020 176.000 -0.052 0.000 0.888 26 Q CA 0.261 56.043 55.803 -0.034 0.000 0.934 26 Q CB 0.685 29.396 28.738 -0.045 0.000 1.093 26 Q HN 0.292 nan 8.270 nan 0.000 0.523 27 V N 0.514 120.381 119.914 -0.078 0.000 2.604 27 V HA 0.717 4.836 4.120 -0.000 0.000 0.305 27 V C -0.710 175.261 176.094 -0.206 0.000 1.043 27 V CA -0.978 61.261 62.300 -0.101 0.000 0.888 27 V CB 1.660 33.449 31.823 -0.056 0.000 0.995 27 V HN 0.085 nan 8.190 nan 0.000 0.429 28 A N 3.709 126.371 122.820 -0.264 0.000 2.350 28 A HA 0.917 5.237 4.320 -0.000 0.000 0.324 28 A C -0.984 176.431 177.584 -0.281 0.000 1.118 28 A CA -0.600 51.163 52.037 -0.456 0.000 0.783 28 A CB 1.734 20.285 19.000 -0.749 0.000 1.236 28 A HN 0.731 nan 8.150 nan 0.000 0.457 29 V N 3.311 123.073 119.914 -0.253 0.000 2.531 29 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 29 V C -0.567 175.488 176.094 -0.065 0.000 1.034 29 V CA -0.152 62.064 62.300 -0.141 0.000 0.865 29 V CB 1.510 33.268 31.823 -0.109 0.000 0.995 29 V HN 0.745 nan 8.190 nan 0.000 0.424 30 I N 3.961 124.517 120.570 -0.024 0.000 2.359 30 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 30 I C -0.169 175.952 176.117 0.007 0.000 1.018 30 I CA -0.159 61.155 61.300 0.024 0.000 1.173 30 I CB 1.255 39.277 38.000 0.036 0.000 1.326 30 I HN 0.552 nan 8.210 nan 0.000 0.462 31 C N 5.692 125.003 119.300 0.018 0.000 2.281 31 C HA 0.459 4.919 4.460 -0.000 0.000 0.336 31 C C 1.597 176.607 174.990 0.034 0.000 1.217 31 C CA -0.160 58.870 59.018 0.020 0.000 1.730 31 C CB -0.450 27.295 27.740 0.010 0.000 2.338 31 C HN 1.025 nan 8.230 nan 0.000 0.521 32 G N 3.021 111.852 108.800 0.053 0.000 2.486 32 G HA2 0.043 4.003 3.960 -0.000 0.000 0.210 32 G HA3 0.043 4.003 3.960 -0.000 0.000 0.210 32 G C 0.693 175.637 174.900 0.074 0.000 1.168 32 G CA 0.544 45.708 45.100 0.107 0.000 0.820 32 G HN 0.796 nan 8.290 nan 0.000 0.544 33 S N 0.952 116.690 115.700 0.064 0.000 2.533 33 S HA 0.416 4.886 4.470 -0.000 0.000 0.282 33 S C 0.892 175.493 174.600 0.001 0.000 1.304 33 S CA -0.087 58.141 58.200 0.047 0.000 1.063 33 S CB 1.298 64.532 63.200 0.056 0.000 0.881 33 S HN 0.576 nan 8.310 nan 0.000 0.493 34 G N 2.286 111.072 108.800 -0.022 0.000 2.444 34 G HA2 0.247 4.207 3.960 -0.000 0.000 0.289 34 G HA3 0.247 4.207 3.960 -0.000 0.000 0.289 34 G C -0.202 174.685 174.900 -0.020 0.000 0.814 34 G CA -0.303 44.771 45.100 -0.043 0.000 1.820 34 G HN 0.679 nan 8.290 nan 0.000 0.453 35 L N 2.901 124.113 121.223 -0.018 0.000 3.096 35 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 35 L C 1.943 178.806 176.870 -0.011 0.000 1.311 35 L CA 0.006 54.842 54.840 -0.007 0.000 0.943 35 L CB 0.780 42.842 42.059 0.004 0.000 1.348 35 L HN 0.455 nan 8.230 nan 0.000 0.562 36 G N -0.024 108.766 108.800 -0.016 0.000 2.503 36 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.221 36 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.221 36 G C 1.521 176.415 174.900 -0.010 0.000 1.131 36 G CA 0.855 45.946 45.100 -0.015 0.000 0.756 36 G HN 0.573 nan 8.290 nan 0.000 0.572 37 G N 0.496 109.292 108.800 -0.007 0.000 2.499 37 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.221 37 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.221 37 G C 1.670 176.568 174.900 -0.003 0.000 1.109 37 G CA 1.001 46.098 45.100 -0.005 0.000 0.749 37 G HN 0.406 nan 8.290 nan 0.000 0.568 38 L N 0.539 121.760 121.223 -0.003 0.000 2.046 38 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 38 L C 2.826 179.693 176.870 -0.005 0.000 1.077 38 L CA 1.359 56.198 54.840 -0.003 0.000 0.747 38 L CB -0.646 41.411 42.059 -0.003 0.000 0.896 38 L HN 0.093 nan 8.230 nan 0.000 0.432 39 V N -0.153 119.757 119.914 -0.006 0.000 2.626 39 V HA -0.249 3.871 4.120 -0.000 0.000 0.252 39 V C 1.887 177.980 176.094 -0.003 0.000 1.067 39 V CA 1.855 64.152 62.300 -0.005 0.000 1.081 39 V CB -0.622 31.197 31.823 -0.007 0.000 0.686 39 V HN 0.609 nan 8.190 nan 0.000 0.468 40 N N -0.138 118.560 118.700 -0.003 0.000 2.512 40 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 40 N C 1.540 177.050 175.510 -0.001 0.000 1.073 40 N CA 0.754 53.802 53.050 -0.003 0.000 0.911 40 N CB -0.063 38.422 38.487 -0.004 0.000 0.964 40 N HN 0.484 nan 8.380 nan 0.000 0.447 41 K N -0.065 120.335 120.400 0.000 0.000 2.393 41 K HA 0.169 4.489 4.320 -0.000 0.000 0.193 41 K C -0.158 176.445 176.600 0.005 0.000 1.026 41 K CA 0.000 56.288 56.287 0.002 0.000 1.064 41 K CB 0.423 32.924 32.500 0.002 0.000 0.833 41 K HN 0.145 nan 8.250 nan 0.000 0.521 42 L N 2.061 123.287 121.223 0.006 0.000 2.410 42 L HA 0.055 4.395 4.340 -0.000 0.000 0.273 42 L C 0.306 177.184 176.870 0.014 0.000 1.152 42 L CA 0.137 54.983 54.840 0.012 0.000 0.855 42 L CB 0.747 42.814 42.059 0.014 0.000 1.129 42 L HN -0.018 nan 8.230 nan 0.000 0.463 43 T N 2.275 116.839 114.554 0.018 0.000 2.928 43 T HA 0.170 4.520 4.350 -0.000 0.000 0.284 43 T C 0.193 174.907 174.700 0.023 0.000 1.008 43 T CA -0.398 61.712 62.100 0.016 0.000 1.057 43 T CB 1.295 70.172 68.868 0.015 0.000 1.018 43 T HN 0.626 nan 8.240 nan 0.000 0.493 44 Q N -0.435 119.375 119.800 0.017 0.000 2.434 44 Q HA -0.206 4.134 4.340 -0.000 0.000 0.299 44 Q C 0.036 176.054 176.000 0.030 0.000 1.286 44 Q CA 0.221 56.035 55.803 0.018 0.000 0.872 44 Q CB -1.463 27.288 28.738 0.022 0.000 1.193 44 Q HN 0.805 nan 8.270 nan 0.000 0.466 45 A N 1.019 123.855 122.820 0.026 0.000 2.462 45 A HA 0.357 4.677 4.320 -0.000 0.000 0.243 45 A C 0.161 177.756 177.584 0.019 0.000 1.076 45 A CA 0.303 52.362 52.037 0.036 0.000 0.773 45 A CB 0.713 19.726 19.000 0.021 0.000 1.010 45 A HN 0.385 nan 8.150 nan 0.000 0.493 46 Q N 1.021 120.847 119.800 0.044 0.000 2.289 46 Q HA 0.541 4.881 4.340 -0.000 0.000 0.270 46 Q C -1.314 174.663 176.000 -0.037 0.000 1.038 46 Q CA -0.472 55.306 55.803 -0.041 0.000 0.812 46 Q CB 1.916 30.625 28.738 -0.050 0.000 1.300 46 Q HN 0.727 nan 8.270 nan 0.000 0.427 47 T N 2.531 116.966 114.554 -0.199 0.000 2.887 47 T HA 0.680 5.030 4.350 -0.000 0.000 0.288 47 T C -1.124 173.352 174.700 -0.374 0.000 1.021 47 T CA -0.375 61.640 62.100 -0.142 0.000 1.000 47 T CB 0.689 69.522 68.868 -0.059 0.000 1.034 47 T HN 0.368 nan 8.240 nan 0.000 0.467 48 F N 0.904 120.943 119.950 0.148 0.000 2.547 48 F HA 0.350 4.877 4.527 -0.000 0.000 0.316 48 F C 0.203 176.050 175.800 0.078 0.000 1.121 48 F CA -1.051 57.040 58.000 0.151 0.000 0.911 48 F CB 1.700 40.845 39.000 0.241 0.000 1.179 48 F HN 0.459 nan 8.300 nan 0.000 0.443 49 D N 2.410 122.945 120.400 0.226 0.000 2.255 49 D HA 0.053 4.693 4.640 -0.000 0.000 0.249 49 D C 0.698 177.109 176.300 0.185 0.000 1.078 49 D CA -0.125 53.936 54.000 0.101 0.000 0.896 49 D CB 1.233 42.074 40.800 0.068 0.000 1.194 49 D HN 0.447 nan 8.370 nan 0.000 0.429 50 Y N 1.312 121.639 120.300 0.045 0.000 2.151 50 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 50 Y C 2.711 178.660 175.900 0.081 0.000 1.166 50 Y CA 0.995 59.126 58.100 0.052 0.000 1.163 50 Y CB -1.204 37.444 38.460 0.313 0.000 0.974 50 Y HN 0.373 nan 8.280 nan 0.000 0.511 51 S N 0.270 116.113 115.700 0.237 0.000 2.419 51 S HA -0.216 4.254 4.470 -0.000 0.000 0.233 51 S C 1.508 176.141 174.600 0.055 0.000 1.016 51 S CA 1.317 59.598 58.200 0.135 0.000 0.974 51 S CB -0.634 62.631 63.200 0.108 0.000 0.786 51 S HN 0.774 nan 8.310 nan 0.000 0.492 52 E N 0.727 120.959 120.200 0.052 0.000 2.474 52 E HA 0.201 4.551 4.350 -0.000 0.000 0.194 52 E C 0.157 176.582 176.600 -0.292 0.000 1.041 52 E CA -0.144 56.247 56.400 -0.014 0.000 0.874 52 E CB -0.197 29.584 29.700 0.135 0.000 0.914 52 E HN 0.555 nan 8.360 nan 0.000 0.498 53 I N 2.933 123.328 120.570 -0.293 0.000 2.315 53 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 53 I C -2.224 173.653 176.117 -0.401 0.000 1.006 53 I CA -2.755 58.192 61.300 -0.589 0.000 1.265 53 I CB 1.009 38.812 38.000 -0.329 0.000 1.387 53 I HN -0.198 nan 8.210 nan 0.000 0.475 54 P HA -0.023 nan 4.420 nan 0.000 0.264 54 P C -0.037 177.199 177.300 -0.107 0.000 1.179 54 P CA 0.571 63.470 63.100 -0.335 0.000 0.763 54 P CB 0.185 31.650 31.700 -0.392 0.000 0.806 55 N N -1.417 117.207 118.700 -0.126 0.000 2.765 55 N HA -0.263 4.477 4.740 -0.000 0.000 0.248 55 N C -0.432 174.797 175.510 -0.467 0.000 1.063 55 N CA 0.254 53.152 53.050 -0.253 0.000 0.862 55 N CB -1.722 36.609 38.487 -0.261 0.000 1.145 55 N HN 0.326 nan 8.380 nan 0.000 0.581 56 F N 1.430 121.217 119.950 -0.272 0.000 2.424 56 F HA 0.335 4.862 4.527 -0.000 0.000 0.356 56 F C -1.750 173.890 175.800 -0.267 0.000 1.110 56 F CA -1.945 55.927 58.000 -0.213 0.000 1.161 56 F CB 0.828 39.797 39.000 -0.051 0.000 1.115 56 F HN -0.181 nan 8.300 nan 0.000 0.507 57 P HA 0.087 nan 4.420 nan 0.000 0.272 57 P C -1.257 175.982 177.300 -0.100 0.000 1.240 57 P CA -0.217 62.520 63.100 -0.605 0.000 0.791 57 P CB 0.558 31.338 31.700 -1.535 0.000 0.978 58 E N -0.284 120.001 120.200 0.142 0.000 2.214 58 E HA 0.403 4.753 4.350 -0.000 0.000 0.274 58 E C -0.407 176.612 176.600 0.697 0.000 0.977 58 E CA -0.693 56.005 56.400 0.496 0.000 0.827 58 E CB 1.169 31.060 29.700 0.319 0.000 1.130 58 E HN 0.195 nan 8.360 nan 0.000 0.394 59 S N 0.282 116.404 115.700 0.703 0.000 2.554 59 S HA 0.208 4.678 4.470 -0.000 0.000 0.278 59 S C 0.666 175.462 174.600 0.327 0.000 1.242 59 S CA -0.190 58.327 58.200 0.528 0.000 1.051 59 S CB 0.758 64.175 63.200 0.363 0.000 0.986 59 S HN 0.695 nan 8.310 nan 0.000 0.502 60 T N 0.819 115.528 114.554 0.259 0.000 3.138 60 T HA 0.205 4.555 4.350 -0.000 0.000 0.245 60 T C 0.450 175.229 174.700 0.132 0.000 0.982 60 T CA 0.041 62.239 62.100 0.163 0.000 1.134 60 T CB -0.725 68.211 68.868 0.112 0.000 1.032 60 T HN 0.376 nan 8.240 nan 0.000 0.442 61 V N 5.801 125.775 119.914 0.100 0.000 2.681 61 V HA 0.150 4.270 4.120 -0.000 0.000 0.306 61 V C -1.739 174.508 176.094 0.255 0.000 1.077 61 V CA -1.040 61.321 62.300 0.102 0.000 1.224 61 V CB -0.291 31.485 31.823 -0.078 0.000 0.879 61 V HN 0.483 nan 8.190 nan 0.000 0.494 62 P HA 0.136 nan 4.420 nan 0.000 0.269 62 P C 0.965 178.446 177.300 0.301 0.000 1.217 62 P CA 0.991 64.224 63.100 0.221 0.000 0.783 62 P CB 0.677 32.466 31.700 0.148 0.000 0.898 63 G N 0.717 109.614 108.800 0.161 0.000 2.267 63 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 63 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 63 G C -0.075 174.781 174.900 -0.073 0.000 0.998 63 G CA 0.218 45.342 45.100 0.041 0.000 0.620 63 G HN 0.718 nan 8.290 nan 0.000 0.529 64 H N 0.673 119.797 119.070 0.089 0.000 2.761 64 H HA 0.662 5.218 4.556 -0.000 0.000 0.284 64 H C 1.415 176.755 175.328 0.020 0.000 1.105 64 H CA 0.478 56.570 56.048 0.073 0.000 1.352 64 H CB 1.292 31.128 29.762 0.123 0.000 1.423 64 H HN 0.357 nan 8.280 nan 0.000 0.464 65 A N 3.623 126.459 122.820 0.027 0.000 1.908 65 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 65 A C 1.903 179.420 177.584 -0.113 0.000 1.181 65 A CA 1.192 53.210 52.037 -0.032 0.000 0.627 65 A CB -0.829 18.138 19.000 -0.056 0.000 0.818 65 A HN 1.080 nan 8.150 nan 0.000 0.445 66 G N -0.703 107.954 108.800 -0.237 0.000 2.370 66 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.268 66 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.268 66 G C -0.090 174.133 174.900 -1.128 0.000 1.122 66 G CA 0.368 45.062 45.100 -0.675 0.000 0.963 66 G HN 1.440 nan 8.290 nan 0.000 0.500 67 R N -1.229 118.693 120.500 -0.964 0.000 2.594 67 R HA 0.705 5.045 4.340 -0.000 0.000 0.265 67 R C -1.492 174.808 176.300 -0.000 0.000 1.070 67 R CA -1.299 54.526 56.100 -0.458 0.000 0.909 67 R CB 1.188 31.384 30.300 -0.174 0.000 1.243 67 R HN 0.422 nan 8.270 nan 0.000 0.455 68 L N 2.547 123.923 121.223 0.254 0.000 2.276 68 L HA 0.474 4.814 4.340 -0.000 0.000 0.286 68 L C -1.050 175.957 176.870 0.228 0.000 1.061 68 L CA -0.343 54.661 54.840 0.273 0.000 0.807 68 L CB 1.805 44.017 42.059 0.255 0.000 1.177 68 L HN 0.559 nan 8.230 nan 0.000 0.429 69 V N 5.143 125.103 119.914 0.076 0.000 2.487 69 V HA 0.468 4.588 4.120 -0.000 0.000 0.298 69 V C -0.494 175.591 176.094 -0.014 0.000 1.028 69 V CA -0.657 61.700 62.300 0.095 0.000 0.860 69 V CB 1.354 33.202 31.823 0.041 0.000 0.991 69 V HN 0.452 nan 8.190 nan 0.000 0.427 70 F N 2.267 122.272 119.950 0.092 0.000 2.422 70 F HA 0.931 5.458 4.527 -0.000 0.000 0.333 70 F C 0.879 176.696 175.800 0.028 0.000 1.095 70 F CA 0.091 58.132 58.000 0.067 0.000 1.038 70 F CB 2.175 41.246 39.000 0.118 0.000 1.156 70 F HN 0.783 nan 8.300 nan 0.000 0.483 71 G N 1.943 110.848 108.800 0.174 0.000 2.342 71 G HA2 0.433 4.393 3.960 -0.000 0.000 0.297 71 G HA3 0.433 4.393 3.960 -0.000 0.000 0.297 71 G C -2.242 172.696 174.900 0.064 0.000 1.313 71 G CA -0.882 44.278 45.100 0.100 0.000 0.830 71 G HN 0.299 nan 8.290 nan 0.000 0.506 72 I N 1.293 121.889 120.570 0.044 0.000 2.330 72 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 72 I C -0.346 175.785 176.117 0.024 0.000 1.001 72 I CA -0.512 60.809 61.300 0.033 0.000 1.193 72 I CB 1.038 39.057 38.000 0.032 0.000 1.345 72 I HN 0.318 nan 8.210 nan 0.000 0.461 73 L N 6.897 128.133 121.223 0.020 0.000 2.294 73 L HA 0.341 4.681 4.340 -0.000 0.000 0.283 73 L C 0.368 177.254 176.870 0.026 0.000 1.015 73 L CA -0.337 54.513 54.840 0.017 0.000 0.831 73 L CB 0.583 42.646 42.059 0.008 0.000 1.217 73 L HN 0.698 nan 8.230 nan 0.000 0.420 74 N N 3.753 122.468 118.700 0.024 0.000 2.705 74 N HA -0.210 4.530 4.740 -0.000 0.000 0.255 74 N C 0.840 176.377 175.510 0.044 0.000 1.008 74 N CA 1.234 54.300 53.050 0.028 0.000 0.742 74 N CB -0.729 37.773 38.487 0.025 0.000 0.906 74 N HN 1.073 nan 8.380 nan 0.000 0.541 75 G N -0.926 107.899 108.800 0.042 0.000 2.189 75 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.267 75 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.267 75 G C 0.092 175.036 174.900 0.073 0.000 0.975 75 G CA 0.798 45.931 45.100 0.057 0.000 0.644 75 G HN 0.808 nan 8.290 nan 0.000 0.537 76 R N 0.659 121.197 120.500 0.063 0.000 2.387 76 R HA 0.729 5.069 4.340 -0.000 0.000 0.314 76 R C 0.304 176.617 176.300 0.023 0.000 0.958 76 R CA 0.165 56.293 56.100 0.047 0.000 0.846 76 R CB 0.929 31.265 30.300 0.061 0.000 1.147 76 R HN 0.789 nan 8.270 nan 0.000 0.447 77 A N 3.963 126.791 122.820 0.013 0.000 2.409 77 A HA 0.462 4.782 4.320 -0.000 0.000 0.267 77 A C -0.044 177.542 177.584 0.003 0.000 1.127 77 A CA -0.059 51.992 52.037 0.023 0.000 0.795 77 A CB -0.629 18.392 19.000 0.035 0.000 1.061 77 A HN 1.013 nan 8.150 nan 0.000 0.502 78 C N 0.949 120.247 119.300 -0.004 0.000 3.291 78 C HA 0.863 5.323 4.460 -0.000 0.000 0.316 78 C C -0.579 174.326 174.990 -0.142 0.000 1.391 78 C CA -0.629 58.343 59.018 -0.077 0.000 1.394 78 C CB 0.932 28.620 27.740 -0.088 0.000 1.744 78 C HN 1.382 nan 8.230 nan 0.000 0.461 79 V N 3.016 122.733 119.914 -0.328 0.000 2.656 79 V HA 0.873 4.993 4.120 -0.000 0.000 0.307 79 V C -0.598 175.207 176.094 -0.482 0.000 1.051 79 V CA -0.432 61.508 62.300 -0.601 0.000 0.893 79 V CB 1.819 33.030 31.823 -1.021 0.000 0.999 79 V HN 1.235 nan 8.190 nan 0.000 0.426 80 M N 5.549 124.949 119.600 -0.334 0.000 2.446 80 M HA 0.657 5.137 4.480 -0.000 0.000 0.294 80 M C -1.308 174.973 176.300 -0.031 0.000 1.158 80 M CA -0.669 54.527 55.300 -0.174 0.000 0.899 80 M CB 2.430 34.966 32.600 -0.106 0.000 1.687 80 M HN 0.451 nan 8.290 nan 0.000 0.455 81 M N 2.667 122.312 119.600 0.075 0.000 2.105 81 M HA 0.257 4.737 4.480 -0.000 0.000 0.350 81 M C -0.360 176.015 176.300 0.125 0.000 1.308 81 M CA -0.218 55.204 55.300 0.204 0.000 1.108 81 M CB 1.179 33.933 32.600 0.257 0.000 1.622 81 M HN 0.735 nan 8.290 nan 0.000 0.468 82 Q N 3.129 122.993 119.800 0.106 0.000 2.566 82 Q HA 0.481 4.821 4.340 -0.000 0.000 0.221 82 Q C -0.304 175.721 176.000 0.043 0.000 1.195 82 Q CA 0.310 56.132 55.803 0.031 0.000 0.967 82 Q CB 0.244 28.973 28.738 -0.015 0.000 1.337 82 Q HN 0.864 nan 8.270 nan 0.000 0.553 83 G N 2.569 111.417 108.800 0.081 0.000 2.906 83 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 83 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 83 G C -0.955 174.024 174.900 0.133 0.000 1.170 83 G CA -0.485 44.728 45.100 0.188 0.000 0.775 83 G HN 0.726 nan 8.290 nan 0.000 0.630 84 R N 0.117 120.688 120.500 0.120 0.000 2.943 84 R HA 0.925 5.265 4.340 -0.000 0.000 0.246 84 R C -0.703 175.249 176.300 -0.580 0.000 1.201 84 R CA -1.079 54.811 56.100 -0.350 0.000 1.056 84 R CB 0.904 31.052 30.300 -0.253 0.000 1.243 84 R HN 0.366 nan 8.270 nan 0.000 0.498 85 F N -0.433 119.356 119.950 -0.267 0.000 2.425 85 F HA 0.451 4.978 4.527 -0.000 0.000 0.331 85 F C -0.120 175.380 175.800 -0.500 0.000 1.085 85 F CA -0.639 57.190 58.000 -0.284 0.000 1.028 85 F CB 1.422 40.217 39.000 -0.342 0.000 1.177 85 F HN 0.474 nan 8.300 nan 0.000 0.487 86 H N 1.124 120.181 119.070 -0.022 0.000 2.768 86 H HA 0.314 4.870 4.556 -0.000 0.000 0.371 86 H C 0.739 175.935 175.328 -0.219 0.000 1.151 86 H CA -0.898 54.991 56.048 -0.265 0.000 1.165 86 H CB 1.921 31.088 29.762 -0.992 0.000 1.722 86 H HN 0.734 nan 8.280 nan 0.000 0.543 87 M N 1.565 121.172 119.600 0.013 0.000 2.213 87 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 87 M C 1.014 177.253 176.300 -0.101 0.000 1.062 87 M CA 1.659 56.889 55.300 -0.118 0.000 1.105 87 M CB -0.027 32.408 32.600 -0.275 0.000 1.385 87 M HN 0.845 nan 8.290 nan 0.000 0.417 88 Y N -0.220 120.101 120.300 0.036 0.000 2.680 88 Y HA 0.036 4.586 4.550 -0.000 0.000 0.303 88 Y C 1.173 177.028 175.900 -0.076 0.000 1.166 88 Y CA 0.730 58.806 58.100 -0.040 0.000 1.344 88 Y CB -1.474 36.954 38.460 -0.053 0.000 1.002 88 Y HN 0.389 nan 8.280 nan 0.000 0.537 89 E N 0.147 120.300 120.200 -0.079 0.000 2.478 89 E HA 0.221 4.571 4.350 -0.000 0.000 0.194 89 E C 1.634 178.055 176.600 -0.298 0.000 1.045 89 E CA 0.484 56.812 56.400 -0.121 0.000 0.868 89 E CB 0.009 29.614 29.700 -0.157 0.000 0.885 89 E HN 0.712 nan 8.360 nan 0.000 0.505 90 G N 0.554 109.201 108.800 -0.255 0.000 2.201 90 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.212 90 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.212 90 G C -0.284 174.418 174.900 -0.330 0.000 0.994 90 G CA -0.510 44.418 45.100 -0.287 0.000 0.644 90 G HN 0.143 nan 8.290 nan 0.000 0.508 91 Y N 2.991 123.143 120.300 -0.247 0.000 2.442 91 Y HA 0.415 4.965 4.550 -0.000 0.000 0.330 91 Y C -1.258 174.364 175.900 -0.463 0.000 1.129 91 Y CA -1.890 55.996 58.100 -0.356 0.000 1.365 91 Y CB 0.565 38.831 38.460 -0.324 0.000 1.233 91 Y HN 0.070 nan 8.280 nan 0.000 0.529 92 P HA 0.032 nan 4.420 nan 0.000 0.274 92 P C 0.385 177.359 177.300 -0.543 0.000 1.237 92 P CA -0.162 62.596 63.100 -0.570 0.000 0.793 92 P CB 0.804 32.049 31.700 -0.758 0.000 0.977 93 F N 0.440 120.240 119.950 -0.250 0.000 2.216 93 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 93 F C 2.295 178.014 175.800 -0.135 0.000 1.085 93 F CA 0.852 58.762 58.000 -0.151 0.000 1.326 93 F CB -1.312 37.669 39.000 -0.032 0.000 1.027 93 F HN 0.505 nan 8.300 nan 0.000 0.497 94 W N 0.225 121.621 121.300 0.160 0.000 2.611 94 W HA -0.022 4.638 4.660 0.000 0.000 0.251 94 W C 1.408 178.019 176.519 0.153 0.000 1.265 94 W CA 0.565 57.994 57.345 0.139 0.000 1.295 94 W CB -1.065 28.478 29.460 0.138 0.000 1.129 94 W HN 0.119 nan 8.180 nan 0.000 0.630 95 K N 0.770 120.924 120.400 -0.410 0.000 2.168 95 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 95 K C 2.185 178.515 176.600 -0.451 0.000 1.049 95 K CA 0.746 56.765 56.287 -0.446 0.000 0.974 95 K CB -0.154 31.837 32.500 -0.848 0.000 0.792 95 K HN -0.111 nan 8.250 nan 0.000 0.463 96 V N 1.820 121.534 119.914 -0.334 0.000 2.380 96 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 96 V C 2.194 178.263 176.094 -0.040 0.000 1.063 96 V CA 2.441 64.663 62.300 -0.130 0.000 1.055 96 V CB -0.752 31.137 31.823 0.109 0.000 0.657 96 V HN 0.550 nan 8.190 nan 0.000 0.455 97 T N -3.497 111.029 114.554 -0.046 0.000 3.086 97 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 97 T C 1.482 176.092 174.700 -0.150 0.000 1.074 97 T CA 0.076 62.122 62.100 -0.089 0.000 0.988 97 T CB -0.368 68.458 68.868 -0.070 0.000 0.988 97 T HN 0.326 nan 8.240 nan 0.000 0.530 98 F N 4.370 124.127 119.950 -0.321 0.000 2.091 98 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 98 F C -0.809 174.668 175.800 -0.537 0.000 1.103 98 F CA 1.163 58.889 58.000 -0.455 0.000 1.228 98 F CB -1.020 37.522 39.000 -0.763 0.000 0.984 98 F HN 0.144 nan 8.300 nan 0.000 0.477 99 P HA -0.135 nan 4.420 nan 0.000 0.220 99 P C 2.042 178.556 177.300 -1.309 0.000 1.148 99 P CA 1.661 64.148 63.100 -1.020 0.000 0.803 99 P CB -0.235 31.032 31.700 -0.722 0.000 0.782 100 V N 0.901 120.321 119.914 -0.824 0.000 2.343 100 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 100 V C 2.795 178.614 176.094 -0.459 0.000 1.051 100 V CA 1.861 63.826 62.300 -0.558 0.000 1.036 100 V CB -1.115 30.541 31.823 -0.279 0.000 0.654 100 V HN 0.091 nan 8.190 nan 0.000 0.451 101 R N -0.608 119.555 120.500 -0.562 0.000 2.115 101 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 101 R C 2.191 178.259 176.300 -0.387 0.000 1.100 101 R CA 1.015 56.738 56.100 -0.628 0.000 0.980 101 R CB -0.350 29.232 30.300 -1.195 0.000 0.875 101 R HN 0.409 nan 8.270 nan 0.000 0.445 102 V N 0.594 120.232 119.914 -0.461 0.000 2.427 102 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 102 V C 1.924 178.037 176.094 0.031 0.000 1.051 102 V CA 1.517 63.669 62.300 -0.247 0.000 1.048 102 V CB -0.502 31.102 31.823 -0.364 0.000 0.666 102 V HN 0.133 nan 8.190 nan 0.000 0.456 103 F N 0.243 120.138 119.950 -0.092 0.000 2.126 103 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 103 F C 2.578 178.365 175.800 -0.022 0.000 1.096 103 F CA 1.191 59.166 58.000 -0.042 0.000 1.255 103 F CB -0.996 37.964 39.000 -0.067 0.000 0.997 103 F HN 0.061 nan 8.300 nan 0.000 0.479 104 R N 0.801 121.391 120.500 0.151 0.000 2.120 104 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 104 R C 2.117 178.486 176.300 0.114 0.000 1.123 104 R CA 0.965 57.131 56.100 0.109 0.000 0.975 104 R CB -0.975 29.380 30.300 0.091 0.000 0.866 104 R HN 0.322 nan 8.270 nan 0.000 0.446 105 L N 0.238 121.526 121.223 0.109 0.000 2.478 105 L HA 0.010 4.350 4.340 -0.000 0.000 0.223 105 L C 1.927 178.856 176.870 0.099 0.000 1.140 105 L CA 0.305 55.200 54.840 0.092 0.000 0.842 105 L CB -0.053 42.040 42.059 0.057 0.000 0.953 105 L HN 0.076 nan 8.230 nan 0.000 0.452 106 L N -0.773 120.527 121.223 0.130 0.000 2.509 106 L HA 0.159 4.499 4.340 -0.000 0.000 0.222 106 L C 1.465 178.393 176.870 0.098 0.000 1.123 106 L CA 0.752 55.673 54.840 0.135 0.000 0.856 106 L CB -0.242 41.935 42.059 0.196 0.000 0.985 106 L HN 0.462 nan 8.230 nan 0.000 0.456 107 G N -0.165 108.685 108.800 0.084 0.000 2.163 107 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.213 107 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.213 107 G C 0.197 175.123 174.900 0.043 0.000 0.991 107 G CA -0.165 44.970 45.100 0.057 0.000 0.653 107 G HN 0.036 nan 8.290 nan 0.000 0.518 108 V N 0.624 120.568 119.914 0.049 0.000 2.740 108 V HA 0.296 4.416 4.120 -0.000 0.000 0.303 108 V C 1.299 177.406 176.094 0.022 0.000 1.054 108 V CA 1.208 63.517 62.300 0.015 0.000 1.106 108 V CB 1.427 33.244 31.823 -0.011 0.000 0.957 108 V HN 0.480 nan 8.190 nan 0.000 0.486 109 E N 1.004 121.207 120.200 0.006 0.000 2.474 109 E HA 0.138 4.488 4.350 -0.000 0.000 0.215 109 E C -0.071 176.540 176.600 0.019 0.000 0.867 109 E CA 0.197 56.606 56.400 0.015 0.000 1.135 109 E CB 1.030 30.736 29.700 0.011 0.000 1.147 109 E HN 0.721 nan 8.360 nan 0.000 0.534 110 T N 1.583 116.144 114.554 0.011 0.000 2.848 110 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 110 T C -1.191 173.488 174.700 -0.034 0.000 0.995 110 T CA -0.559 61.558 62.100 0.029 0.000 0.970 110 T CB 1.953 70.877 68.868 0.094 0.000 0.976 110 T HN -0.073 nan 8.240 nan 0.000 0.441 111 L N 4.533 125.718 121.223 -0.062 0.000 2.325 111 L HA 0.743 5.082 4.340 -0.000 0.000 0.281 111 L C -1.097 175.600 176.870 -0.289 0.000 1.004 111 L CA -0.537 54.230 54.840 -0.121 0.000 0.823 111 L CB 1.271 43.301 42.059 -0.047 0.000 1.236 111 L HN 0.453 nan 8.230 nan 0.000 0.415 112 V N 5.636 125.332 119.914 -0.364 0.000 2.427 112 V HA 0.657 4.777 4.120 -0.000 0.000 0.286 112 V C -0.241 175.675 176.094 -0.297 0.000 1.034 112 V CA -0.551 61.398 62.300 -0.585 0.000 0.893 112 V CB 1.649 33.155 31.823 -0.528 0.000 0.982 112 V HN 0.646 nan 8.190 nan 0.000 0.452 113 V N 1.731 121.483 119.914 -0.271 0.000 2.680 113 V HA 1.003 5.123 4.120 -0.000 0.000 0.309 113 V C -0.209 175.844 176.094 -0.068 0.000 1.052 113 V CA -0.355 61.870 62.300 -0.126 0.000 0.908 113 V CB 1.785 33.552 31.823 -0.094 0.000 1.001 113 V HN 0.961 nan 8.190 nan 0.000 0.431 114 T N 1.013 115.562 114.554 -0.010 0.000 2.903 114 T HA 0.753 5.103 4.350 -0.000 0.000 0.299 114 T C -0.790 173.926 174.700 0.027 0.000 1.093 114 T CA -0.536 61.595 62.100 0.051 0.000 1.002 114 T CB 2.093 71.023 68.868 0.103 0.000 1.127 114 T HN 1.330 nan 8.240 nan 0.000 0.488 115 N N -0.274 118.449 118.700 0.039 0.000 3.179 115 N HA 0.549 5.289 4.740 -0.000 0.000 0.250 115 N C -1.765 173.808 175.510 0.106 0.000 1.507 115 N CA -1.348 51.746 53.050 0.074 0.000 0.883 115 N CB 1.586 40.098 38.487 0.042 0.000 1.435 115 N HN 0.961 nan 8.380 nan 0.000 0.532 116 A N -0.156 122.760 122.820 0.160 0.000 2.318 116 A HA 0.862 5.182 4.320 -0.000 0.000 0.324 116 A C -0.773 176.947 177.584 0.226 0.000 1.170 116 A CA -0.361 51.772 52.037 0.160 0.000 0.810 116 A CB 1.070 20.155 19.000 0.143 0.000 1.198 116 A HN 0.948 nan 8.150 nan 0.000 0.484 117 A N 1.318 124.270 122.820 0.220 0.000 2.515 117 A HA 0.855 5.175 4.320 -0.000 0.000 0.296 117 A C 0.158 177.862 177.584 0.200 0.000 1.094 117 A CA -0.162 52.039 52.037 0.274 0.000 0.718 117 A CB 1.364 20.599 19.000 0.393 0.000 1.307 117 A HN 1.801 nan 8.150 nan 0.000 0.408 118 G N 0.078 108.985 108.800 0.180 0.000 2.325 118 G HA2 0.509 4.469 3.960 -0.000 0.000 0.298 118 G HA3 0.509 4.469 3.960 -0.000 0.000 0.298 118 G C 0.389 175.371 174.900 0.137 0.000 1.134 118 G CA 0.234 45.408 45.100 0.124 0.000 0.876 118 G HN 1.202 nan 8.290 nan 0.000 0.452 119 G N 1.037 109.929 108.800 0.152 0.000 2.361 119 G HA2 0.355 4.315 3.960 -0.000 0.000 0.260 119 G HA3 0.355 4.315 3.960 -0.000 0.000 0.260 119 G C 0.751 175.685 174.900 0.058 0.000 1.261 119 G CA -0.437 44.784 45.100 0.203 0.000 0.897 119 G HN 0.559 nan 8.290 nan 0.000 0.499 120 L N 2.127 123.333 121.223 -0.029 0.000 2.500 120 L HA 0.166 4.506 4.340 -0.000 0.000 0.219 120 L C 1.343 178.089 176.870 -0.206 0.000 1.057 120 L CA -0.267 54.518 54.840 -0.092 0.000 0.854 120 L CB -0.027 41.987 42.059 -0.075 0.000 1.078 120 L HN 0.448 nan 8.230 nan 0.000 0.480 121 N N 1.333 119.757 118.700 -0.458 0.000 2.468 121 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 121 N C -1.909 173.358 175.510 -0.406 0.000 1.199 121 N CA -1.154 51.524 53.050 -0.620 0.000 0.928 121 N CB 1.653 39.316 38.487 -1.374 0.000 1.059 121 N HN -0.127 nan 8.380 nan 0.000 0.467 122 P HA -0.034 nan 4.420 nan 0.000 0.221 122 P C 0.055 177.338 177.300 -0.027 0.000 1.145 122 P CA 1.244 64.291 63.100 -0.088 0.000 0.795 122 P CB 0.255 31.916 31.700 -0.065 0.000 0.775 123 N N -2.112 116.570 118.700 -0.029 0.000 2.467 123 N HA 0.007 4.747 4.740 -0.000 0.000 0.184 123 N C -0.086 175.596 175.510 0.286 0.000 1.106 123 N CA 0.250 53.360 53.050 0.101 0.000 0.892 123 N CB -0.264 38.286 38.487 0.105 0.000 0.969 123 N HN 0.030 nan 8.380 nan 0.000 0.454 124 F N 1.437 121.388 119.950 0.002 0.000 2.412 124 F HA 0.368 4.895 4.527 -0.000 0.000 0.348 124 F C 0.823 176.624 175.800 0.002 0.000 1.102 124 F CA -1.147 56.854 58.000 0.001 0.000 1.196 124 F CB 0.563 39.567 39.000 0.006 0.000 1.144 124 F HN -0.120 nan 8.300 nan 0.000 0.541 125 E N 0.529 120.821 120.200 0.153 0.000 2.244 125 E HA 0.487 4.837 4.350 -0.000 0.000 0.266 125 E C -1.072 175.559 176.600 0.053 0.000 0.914 125 E CA -0.793 55.657 56.400 0.083 0.000 0.794 125 E CB 1.832 31.563 29.700 0.051 0.000 1.210 125 E HN 0.336 nan 8.360 nan 0.000 0.414 126 V N 0.676 120.615 119.914 0.041 0.000 2.694 126 V HA 0.420 4.540 4.120 -0.000 0.000 0.306 126 V C 1.156 177.256 176.094 0.010 0.000 1.054 126 V CA 0.607 62.922 62.300 0.025 0.000 1.161 126 V CB 0.118 31.950 31.823 0.014 0.000 0.916 126 V HN 0.903 nan 8.190 nan 0.000 0.490 127 G N 2.163 110.965 108.800 0.003 0.000 2.175 127 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 127 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 127 G C -0.064 174.823 174.900 -0.023 0.000 0.982 127 G CA 0.208 45.307 45.100 -0.002 0.000 0.641 127 G HN 0.917 nan 8.290 nan 0.000 0.527 128 D N 0.267 120.630 120.400 -0.061 0.000 2.372 128 D HA 0.508 5.148 4.640 -0.000 0.000 0.243 128 D C 0.868 177.056 176.300 -0.188 0.000 1.121 128 D CA 0.117 54.024 54.000 -0.155 0.000 0.898 128 D CB 0.754 41.395 40.800 -0.265 0.000 1.202 128 D HN 0.315 nan 8.370 nan 0.000 0.428 129 I N 2.307 122.718 120.570 -0.264 0.000 2.377 129 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 129 I C 0.114 176.051 176.117 -0.300 0.000 0.987 129 I CA -0.489 60.672 61.300 -0.232 0.000 1.185 129 I CB 1.454 39.291 38.000 -0.272 0.000 1.341 129 I HN 0.106 nan 8.210 nan 0.000 0.455 130 M N 7.700 127.209 119.600 -0.152 0.000 2.078 130 M HA 0.386 4.866 4.480 -0.000 0.000 0.320 130 M C -1.306 175.007 176.300 0.022 0.000 0.969 130 M CA -0.726 54.483 55.300 -0.153 0.000 0.929 130 M CB 1.408 33.900 32.600 -0.179 0.000 1.504 130 M HN 0.519 nan 8.290 nan 0.000 0.419 131 L N 6.032 127.269 121.223 0.024 0.000 2.462 131 L HA 0.237 4.577 4.340 -0.000 0.000 0.272 131 L C -0.569 176.234 176.870 -0.111 0.000 1.166 131 L CA 0.044 54.885 54.840 0.002 0.000 0.880 131 L CB 0.452 42.498 42.059 -0.022 0.000 1.142 131 L HN 0.738 nan 8.230 nan 0.000 0.473 132 I N 6.053 126.466 120.570 -0.262 0.000 2.363 132 I HA 0.054 4.224 4.170 -0.000 0.000 0.292 132 I C 1.245 177.062 176.117 -0.500 0.000 1.075 132 I CA 0.200 61.255 61.300 -0.408 0.000 1.333 132 I CB 0.839 38.449 38.000 -0.651 0.000 1.415 132 I HN 0.706 nan 8.210 nan 0.000 0.502 133 R N 3.071 123.403 120.500 -0.280 0.000 2.112 133 R HA 0.058 4.398 4.340 -0.000 0.000 0.216 133 R C 0.126 176.366 176.300 -0.100 0.000 1.080 133 R CA 0.845 56.869 56.100 -0.126 0.000 0.996 133 R CB 0.426 30.720 30.300 -0.010 0.000 0.902 133 R HN 0.706 nan 8.270 nan 0.000 0.449 134 D N -1.594 118.710 120.400 -0.160 0.000 2.692 134 D HA 0.146 4.785 4.640 -0.000 0.000 0.290 134 D C -1.557 174.778 176.300 0.060 0.000 1.281 134 D CA -0.500 53.505 54.000 0.008 0.000 0.804 134 D CB 1.230 42.056 40.800 0.044 0.000 1.331 134 D HN 0.298 nan 8.370 nan 0.000 0.432 135 H N -1.117 118.084 119.070 0.217 0.000 2.949 135 H HA 0.702 5.258 4.556 -0.000 0.000 0.356 135 H C -0.864 174.538 175.328 0.124 0.000 1.212 135 H CA -1.010 55.156 56.048 0.197 0.000 1.136 135 H CB 1.551 31.499 29.762 0.311 0.000 1.869 135 H HN 0.242 nan 8.280 nan 0.000 0.556 136 I N 1.684 122.434 120.570 0.300 0.000 2.439 136 I HA 0.127 4.297 4.170 -0.000 0.000 0.285 136 I C -0.271 175.819 176.117 -0.046 0.000 1.021 136 I CA -0.435 60.936 61.300 0.119 0.000 1.091 136 I CB 1.776 39.776 38.000 0.000 0.000 1.242 136 I HN 0.615 nan 8.210 nan 0.000 0.439 137 N N 7.170 125.811 118.700 -0.099 0.000 2.918 137 N HA 0.255 4.995 4.740 -0.000 0.000 0.247 137 N C 0.970 176.208 175.510 -0.453 0.000 1.117 137 N CA -0.315 52.599 53.050 -0.227 0.000 1.005 137 N CB 0.714 39.123 38.487 -0.129 0.000 1.297 137 N HN 0.664 nan 8.380 nan 0.000 0.513 138 L N 3.001 123.949 121.223 -0.458 0.000 2.012 138 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 138 L C -0.658 176.090 176.870 -0.205 0.000 1.073 138 L CA 1.482 56.026 54.840 -0.493 0.000 0.748 138 L CB -1.435 40.468 42.059 -0.260 0.000 0.891 138 L HN 0.426 nan 8.230 nan 0.000 0.431 139 P HA -0.141 nan 4.420 nan 0.000 0.219 139 P C 1.501 178.880 177.300 0.131 0.000 1.146 139 P CA 1.640 64.799 63.100 0.098 0.000 0.808 139 P CB -0.170 31.673 31.700 0.238 0.000 0.779 140 G N -1.527 107.317 108.800 0.073 0.000 2.443 140 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 140 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 140 G C 1.134 176.225 174.900 0.319 0.000 1.131 140 G CA 0.194 45.391 45.100 0.162 0.000 0.775 140 G HN 0.123 nan 8.290 nan 0.000 0.547 141 F N 2.317 122.312 119.950 0.074 0.000 2.171 141 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 141 F C 2.954 178.790 175.800 0.061 0.000 1.090 141 F CA 0.956 58.994 58.000 0.063 0.000 1.293 141 F CB -0.777 38.255 39.000 0.054 0.000 1.013 141 F HN 0.275 nan 8.300 nan 0.000 0.486 142 S N -1.161 114.697 115.700 0.264 0.000 2.593 142 S HA 0.359 4.828 4.470 -0.000 0.000 0.217 142 S C 1.774 176.457 174.600 0.138 0.000 0.966 142 S CA 0.529 58.828 58.200 0.166 0.000 0.914 142 S CB -0.001 63.278 63.200 0.133 0.000 0.776 142 S HN 0.559 nan 8.310 nan 0.000 0.523 143 G N 0.853 109.749 108.800 0.160 0.000 2.195 143 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.224 143 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.224 143 G C -0.239 174.754 174.900 0.154 0.000 0.990 143 G CA -0.135 45.049 45.100 0.140 0.000 0.639 143 G HN 0.570 nan 8.290 nan 0.000 0.514 144 E N 1.534 121.840 120.200 0.177 0.000 1.858 144 E HA 0.323 4.673 4.350 -0.000 0.000 0.267 144 E C -0.165 176.648 176.600 0.355 0.000 1.215 144 E CA -0.217 56.322 56.400 0.232 0.000 0.952 144 E CB 0.280 30.092 29.700 0.187 0.000 1.058 144 E HN 0.295 nan 8.360 nan 0.000 0.407 145 N N 3.364 122.247 118.700 0.305 0.000 2.260 145 N HA 0.176 4.916 4.740 -0.000 0.000 0.293 145 N C -2.121 173.534 175.510 0.242 0.000 1.058 145 N CA -2.074 51.108 53.050 0.220 0.000 0.824 145 N CB 1.949 40.515 38.487 0.133 0.000 1.551 145 N HN 0.052 nan 8.380 nan 0.000 0.475 146 P HA -0.060 nan 4.420 nan 0.000 0.223 146 P C 0.918 178.289 177.300 0.119 0.000 1.144 146 P CA 0.909 64.125 63.100 0.193 0.000 0.783 146 P CB 0.509 32.232 31.700 0.038 0.000 0.771 147 L N -1.365 119.875 121.223 0.028 0.000 2.628 147 L HA 0.210 4.550 4.340 -0.000 0.000 0.229 147 L C 1.542 178.407 176.870 -0.009 0.000 1.137 147 L CA -0.482 54.322 54.840 -0.060 0.000 0.909 147 L CB -0.374 41.578 42.059 -0.178 0.000 1.137 147 L HN -0.116 nan 8.230 nan 0.000 0.470 148 R N 1.296 121.837 120.500 0.067 0.000 2.570 148 R HA 0.390 4.730 4.340 -0.000 0.000 0.277 148 R C 0.423 176.742 176.300 0.032 0.000 1.039 148 R CA 1.028 57.168 56.100 0.066 0.000 1.065 148 R CB 0.358 30.724 30.300 0.111 0.000 0.964 148 R HN 0.237 nan 8.270 nan 0.000 0.428 149 G N 3.875 112.680 108.800 0.008 0.000 2.422 149 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.607 149 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.607 149 G C -2.642 172.242 174.900 -0.027 0.000 1.270 149 G CA -1.034 44.055 45.100 -0.018 0.000 0.992 149 G HN 0.565 nan 8.290 nan 0.000 0.499 150 P HA 0.308 nan 4.420 nan 0.000 0.264 150 P C -0.074 177.218 177.300 -0.014 0.000 1.193 150 P CA -0.058 63.027 63.100 -0.024 0.000 0.763 150 P CB 0.491 32.180 31.700 -0.019 0.000 0.810 151 N N 2.151 120.838 118.700 -0.022 0.000 2.529 151 N HA 0.098 4.838 4.740 -0.000 0.000 0.278 151 N C -0.384 175.163 175.510 0.061 0.000 1.146 151 N CA -0.314 52.739 53.050 0.004 0.000 0.980 151 N CB 0.508 38.979 38.487 -0.027 0.000 1.124 151 N HN 0.179 nan 8.380 nan 0.000 0.458 152 E N 2.117 122.407 120.200 0.150 0.000 2.001 152 E HA 0.041 4.391 4.350 -0.000 0.000 0.279 152 E C 0.710 177.391 176.600 0.135 0.000 1.045 152 E CA -0.427 56.078 56.400 0.175 0.000 0.833 152 E CB 0.337 30.259 29.700 0.370 0.000 1.077 152 E HN 0.608 nan 8.360 nan 0.000 0.397 153 E N 5.345 125.552 120.200 0.012 0.000 2.160 153 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 153 E C 0.866 177.403 176.600 -0.105 0.000 0.991 153 E CA 1.151 57.529 56.400 -0.038 0.000 0.810 153 E CB -0.187 29.473 29.700 -0.067 0.000 0.742 153 E HN 0.492 nan 8.360 nan 0.000 0.466 154 R N -0.972 119.391 120.500 -0.227 0.000 2.328 154 R HA 0.025 4.365 4.340 -0.000 0.000 0.207 154 R C 1.403 177.496 176.300 -0.345 0.000 1.056 154 R CA 0.932 56.795 56.100 -0.396 0.000 1.016 154 R CB -0.150 29.641 30.300 -0.848 0.000 0.872 154 R HN 0.159 nan 8.270 nan 0.000 0.471 155 F N -1.346 118.597 119.950 -0.012 0.000 2.514 155 F HA 0.357 4.884 4.527 -0.000 0.000 0.281 155 F C 1.335 176.990 175.800 -0.242 0.000 1.060 155 F CA 0.610 58.589 58.000 -0.034 0.000 1.397 155 F CB 0.457 39.495 39.000 0.064 0.000 1.129 155 F HN 0.001 nan 8.300 nan 0.000 0.620 156 G N -0.662 108.057 108.800 -0.136 0.000 2.428 156 G HA2 0.433 4.393 3.960 -0.000 0.000 0.304 156 G HA3 0.433 4.393 3.960 -0.000 0.000 0.304 156 G C -1.557 173.226 174.900 -0.195 0.000 1.303 156 G CA -0.229 44.590 45.100 -0.470 0.000 0.825 156 G HN 0.177 nan 8.290 nan 0.000 0.484 157 V N -1.086 118.737 119.914 -0.152 0.000 3.083 157 V HA 0.669 4.789 4.120 -0.000 0.000 0.306 157 V C 1.798 177.934 176.094 0.070 0.000 1.077 157 V CA 0.384 62.679 62.300 -0.008 0.000 1.073 157 V CB 1.419 33.242 31.823 0.000 0.000 1.081 157 V HN 1.014 nan 8.190 nan 0.000 0.474 158 R N 1.940 122.385 120.500 -0.091 0.000 2.081 158 R HA 0.079 4.419 4.340 -0.000 0.000 0.235 158 R C 0.408 176.389 176.300 -0.532 0.000 1.131 158 R CA 1.706 57.577 56.100 -0.382 0.000 0.960 158 R CB -0.372 29.531 30.300 -0.662 0.000 0.856 158 R HN 0.713 nan 8.270 nan 0.000 0.436 159 F N 2.714 122.717 119.950 0.087 0.000 2.366 159 F HA 0.420 4.947 4.527 -0.000 0.000 0.357 159 F C -1.936 173.911 175.800 0.077 0.000 1.107 159 F CA -2.991 55.053 58.000 0.074 0.000 1.208 159 F CB 0.861 39.891 39.000 0.050 0.000 1.464 159 F HN 0.043 nan 8.300 nan 0.000 0.501 160 P HA 0.464 nan 4.420 nan 0.000 0.278 160 P C -0.628 176.755 177.300 0.138 0.000 1.238 160 P CA -0.331 62.866 63.100 0.163 0.000 0.794 160 P CB 1.754 33.569 31.700 0.192 0.000 0.955 161 A N 2.814 125.689 122.820 0.093 0.000 2.302 161 A HA 0.507 4.827 4.320 -0.000 0.000 0.285 161 A C 0.824 178.437 177.584 0.049 0.000 1.105 161 A CA -0.390 51.689 52.037 0.069 0.000 0.816 161 A CB 0.305 19.334 19.000 0.047 0.000 1.067 161 A HN 0.524 nan 8.150 nan 0.000 0.489 162 M N 1.270 120.894 119.600 0.040 0.000 2.279 162 M HA 0.027 4.507 4.480 -0.000 0.000 0.306 162 M C 1.742 178.020 176.300 -0.036 0.000 0.965 162 M CA 0.822 56.124 55.300 0.004 0.000 1.038 162 M CB -0.641 31.988 32.600 0.049 0.000 1.636 162 M HN 0.898 nan 8.290 nan 0.000 0.574 163 S N 1.125 116.823 115.700 -0.002 0.000 2.500 163 S HA -0.092 4.378 4.470 -0.000 0.000 0.239 163 S C 0.797 175.399 174.600 0.002 0.000 0.989 163 S CA 1.316 59.517 58.200 0.002 0.000 0.951 163 S CB -0.514 62.697 63.200 0.018 0.000 0.759 163 S HN 0.553 nan 8.310 nan 0.000 0.523 164 D N -0.304 120.088 120.400 -0.013 0.000 2.673 164 D HA 0.440 5.080 4.640 -0.000 0.000 0.278 164 D C 1.195 177.465 176.300 -0.050 0.000 1.393 164 D CA 0.249 54.245 54.000 -0.007 0.000 0.805 164 D CB 0.034 40.835 40.800 0.002 0.000 1.110 164 D HN 0.319 nan 8.370 nan 0.000 0.476 165 A N 0.179 122.920 122.820 -0.132 0.000 1.940 165 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 165 A C 0.342 177.664 177.584 -0.436 0.000 1.176 165 A CA 0.805 52.656 52.037 -0.310 0.000 0.631 165 A CB -0.754 17.965 19.000 -0.470 0.000 0.814 165 A HN 0.300 nan 8.150 nan 0.000 0.446 166 Y N 0.841 121.140 120.300 -0.002 0.000 2.477 166 Y HA 0.363 4.913 4.550 -0.000 0.000 0.349 166 Y C 0.097 176.012 175.900 0.026 0.000 0.977 166 Y CA -1.602 56.510 58.100 0.019 0.000 1.214 166 Y CB -0.071 38.390 38.460 0.003 0.000 1.124 166 Y HN 0.247 nan 8.280 nan 0.000 0.521 167 D N 2.348 122.821 120.400 0.122 0.000 2.662 167 D HA -0.106 4.534 4.640 -0.000 0.000 0.233 167 D C 1.190 177.520 176.300 0.051 0.000 1.129 167 D CA 0.326 54.370 54.000 0.073 0.000 0.851 167 D CB 0.874 41.717 40.800 0.071 0.000 1.152 167 D HN 0.597 nan 8.370 nan 0.000 0.507 168 R N 2.701 123.223 120.500 0.037 0.000 2.093 168 R HA -0.010 4.330 4.340 -0.000 0.000 0.224 168 R C 1.283 177.587 176.300 0.006 0.000 1.101 168 R CA 0.971 57.090 56.100 0.032 0.000 0.979 168 R CB -0.405 29.917 30.300 0.036 0.000 0.877 168 R HN 0.335 nan 8.270 nan 0.000 0.441 169 D N 0.498 120.891 120.400 -0.011 0.000 2.123 169 D HA -0.101 4.538 4.640 -0.000 0.000 0.196 169 D C 1.732 177.986 176.300 -0.076 0.000 0.992 169 D CA 1.275 55.259 54.000 -0.027 0.000 0.833 169 D CB -0.043 40.743 40.800 -0.023 0.000 0.954 169 D HN 0.165 nan 8.370 nan 0.000 0.455 170 M N 0.319 119.825 119.600 -0.157 0.000 2.374 170 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 170 M C 1.983 178.109 176.300 -0.291 0.000 1.067 170 M CA 0.859 55.941 55.300 -0.364 0.000 1.103 170 M CB -0.569 31.563 32.600 -0.780 0.000 1.402 170 M HN -0.003 nan 8.290 nan 0.000 0.444 171 R N -0.376 120.051 120.500 -0.122 0.000 2.090 171 R HA -0.091 4.249 4.340 -0.000 0.000 0.228 171 R C 2.097 178.453 176.300 0.095 0.000 1.110 171 R CA 1.006 57.096 56.100 -0.015 0.000 0.973 171 R CB -0.236 30.098 30.300 0.057 0.000 0.869 171 R HN 0.546 nan 8.270 nan 0.000 0.440 172 Q N 0.421 120.271 119.800 0.083 0.000 2.124 172 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 172 Q C 1.876 177.941 176.000 0.109 0.000 0.977 172 Q CA 1.250 57.127 55.803 0.123 0.000 0.850 172 Q CB 0.037 28.813 28.738 0.063 0.000 0.901 172 Q HN 0.000 nan 8.270 nan 0.000 0.429 173 K N 0.766 121.181 120.400 0.025 0.000 2.057 173 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 173 K C 1.857 178.497 176.600 0.066 0.000 1.049 173 K CA 1.326 57.619 56.287 0.010 0.000 0.931 173 K CB -0.610 31.839 32.500 -0.084 0.000 0.714 173 K HN 0.229 nan 8.250 nan 0.000 0.440 174 A N 0.755 123.606 122.820 0.051 0.000 1.877 174 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 174 A C 1.980 179.760 177.584 0.328 0.000 1.186 174 A CA 1.646 53.807 52.037 0.207 0.000 0.620 174 A CB -0.737 18.387 19.000 0.208 0.000 0.822 174 A HN 0.335 nan 8.150 nan 0.000 0.443 175 H N -0.036 119.189 119.070 0.259 0.000 2.293 175 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 175 H C 2.657 178.128 175.328 0.237 0.000 1.082 175 H CA 1.767 57.945 56.048 0.216 0.000 1.308 175 H CB -0.461 29.369 29.762 0.113 0.000 1.375 175 H HN 0.487 nan 8.280 nan 0.000 0.495 176 S N 0.049 115.923 115.700 0.290 0.000 2.359 176 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 176 S C 2.298 177.026 174.600 0.213 0.000 1.035 176 S CA 1.771 60.092 58.200 0.202 0.000 1.018 176 S CB -0.415 62.864 63.200 0.131 0.000 0.876 176 S HN 0.470 nan 8.310 nan 0.000 0.448 177 T N 1.265 115.973 114.554 0.256 0.000 2.720 177 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 177 T C 1.321 176.232 174.700 0.351 0.000 1.037 177 T CA 1.104 63.377 62.100 0.288 0.000 1.144 177 T CB -0.324 68.726 68.868 0.304 0.000 0.864 177 T HN 0.589 nan 8.240 nan 0.000 0.444 178 W N 2.339 123.772 121.300 0.222 0.000 2.358 178 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 178 W C 1.879 178.382 176.519 -0.028 0.000 1.208 178 W CA 1.154 58.464 57.345 -0.057 0.000 1.274 178 W CB -0.219 29.118 29.460 -0.205 0.000 1.138 178 W HN 0.276 nan 8.180 nan 0.000 0.515 179 K N 0.162 120.684 120.400 0.204 0.000 2.032 179 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 179 K C 2.087 178.675 176.600 -0.020 0.000 1.048 179 K CA 1.892 58.235 56.287 0.093 0.000 0.927 179 K CB -0.551 32.029 32.500 0.133 0.000 0.712 179 K HN 0.267 nan 8.250 nan 0.000 0.441 180 Q N 0.208 120.012 119.800 0.006 0.000 2.181 180 Q HA -0.096 4.244 4.340 -0.000 0.000 0.205 180 Q C 1.991 177.936 176.000 -0.091 0.000 0.980 180 Q CA 1.192 56.982 55.803 -0.022 0.000 0.862 180 Q CB -0.102 28.644 28.738 0.013 0.000 0.905 180 Q HN 0.378 nan 8.270 nan 0.000 0.429 181 M N -0.712 118.782 119.600 -0.176 0.000 2.446 181 M HA -0.054 4.425 4.480 -0.000 0.000 0.263 181 M C 0.966 177.082 176.300 -0.307 0.000 1.066 181 M CA 1.052 56.177 55.300 -0.292 0.000 1.087 181 M CB -0.126 32.148 32.600 -0.544 0.000 1.406 181 M HN 0.435 nan 8.290 nan 0.000 0.459 182 G N 1.566 110.210 108.800 -0.259 0.000 2.246 182 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.273 182 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.273 182 G C -0.232 174.524 174.900 -0.241 0.000 1.055 182 G CA -0.112 44.872 45.100 -0.193 0.000 0.851 182 G HN 0.427 nan 8.290 nan 0.000 0.500 183 E N -0.827 119.139 120.200 -0.390 0.000 2.354 183 E HA 0.259 4.609 4.350 -0.000 0.000 0.269 183 E C 1.269 177.814 176.600 -0.091 0.000 1.036 183 E CA -0.450 55.736 56.400 -0.356 0.000 0.876 183 E CB 1.279 30.511 29.700 -0.780 0.000 1.009 183 E HN 0.370 nan 8.360 nan 0.000 0.416 184 Q N 2.585 122.364 119.800 -0.036 0.000 2.083 184 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 184 Q C 0.464 176.517 176.000 0.088 0.000 0.969 184 Q CA 1.298 57.113 55.803 0.020 0.000 0.838 184 Q CB 0.150 28.892 28.738 0.006 0.000 0.900 184 Q HN 0.183 nan 8.270 nan 0.000 0.436 185 R N 0.685 121.271 120.500 0.144 0.000 2.459 185 R HA 0.229 4.569 4.340 -0.000 0.000 0.281 185 R C -0.876 175.607 176.300 0.305 0.000 1.050 185 R CA -0.227 55.979 56.100 0.176 0.000 1.055 185 R CB 0.690 31.078 30.300 0.147 0.000 1.045 185 R HN 0.023 nan 8.270 nan 0.000 0.495 186 E N 1.536 121.820 120.200 0.140 0.000 2.349 186 E HA 0.173 4.522 4.350 -0.000 0.000 0.262 186 E C -0.899 175.515 176.600 -0.309 0.000 1.088 186 E CA -0.533 55.901 56.400 0.057 0.000 0.899 186 E CB 0.574 30.290 29.700 0.027 0.000 1.044 186 E HN 0.376 nan 8.360 nan 0.000 0.420 187 L N 3.318 124.129 121.223 -0.686 0.000 2.361 187 L HA 0.099 4.439 4.340 -0.000 0.000 0.278 187 L C -0.348 176.283 176.870 -0.397 0.000 1.113 187 L CA 0.109 54.345 54.840 -1.007 0.000 0.849 187 L CB 0.232 41.616 42.059 -1.126 0.000 1.155 187 L HN 0.330 nan 8.230 nan 0.000 0.452 188 Q N 3.996 123.552 119.800 -0.407 0.000 2.396 188 Q HA 0.354 4.694 4.340 -0.000 0.000 0.221 188 Q C -0.615 175.315 176.000 -0.117 0.000 1.025 188 Q CA -0.116 55.534 55.803 -0.256 0.000 0.946 188 Q CB 1.072 29.458 28.738 -0.587 0.000 1.224 188 Q HN 0.713 nan 8.270 nan 0.000 0.539 189 E N -1.250 118.967 120.200 0.028 0.000 2.347 189 E HA 0.578 4.928 4.350 -0.000 0.000 0.285 189 E C -1.313 175.374 176.600 0.146 0.000 0.925 189 E CA -0.317 56.131 56.400 0.079 0.000 0.779 189 E CB 1.268 31.055 29.700 0.144 0.000 1.233 189 E HN 0.717 nan 8.360 nan 0.000 0.414 190 G N 1.269 110.141 108.800 0.121 0.000 2.490 190 G HA2 0.327 4.287 3.960 -0.000 0.000 0.308 190 G HA3 0.327 4.287 3.960 -0.000 0.000 0.308 190 G C -1.209 173.741 174.900 0.083 0.000 1.286 190 G CA -0.575 44.609 45.100 0.140 0.000 0.825 190 G HN 0.319 nan 8.290 nan 0.000 0.479 191 T N 0.784 115.395 114.554 0.095 0.000 2.744 191 T HA 0.447 4.797 4.350 -0.000 0.000 0.291 191 T C -1.048 173.744 174.700 0.153 0.000 0.957 191 T CA 0.131 62.287 62.100 0.093 0.000 1.002 191 T CB 0.849 69.760 68.868 0.072 0.000 0.919 191 T HN 0.440 nan 8.240 nan 0.000 0.468 192 Y N 4.050 124.371 120.300 0.034 0.000 2.320 192 Y HA 0.577 5.127 4.550 -0.000 0.000 0.334 192 Y C -0.420 175.525 175.900 0.076 0.000 1.055 192 Y CA -0.785 57.350 58.100 0.057 0.000 1.143 192 Y CB 0.865 39.347 38.460 0.035 0.000 1.193 192 Y HN 0.421 nan 8.280 nan 0.000 0.477 193 V N 8.822 128.455 119.914 -0.469 0.000 2.459 193 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 193 V C -0.859 174.867 176.094 -0.612 0.000 1.029 193 V CA -0.806 61.270 62.300 -0.373 0.000 0.874 193 V CB 1.406 33.109 31.823 -0.200 0.000 0.985 193 V HN 0.961 nan 8.190 nan 0.000 0.438 194 M N 7.212 126.605 119.600 -0.345 0.000 2.456 194 M HA 0.686 5.166 4.480 -0.000 0.000 0.324 194 M C -1.893 174.345 176.300 -0.104 0.000 1.124 194 M CA -0.644 54.529 55.300 -0.212 0.000 0.959 194 M CB 1.666 34.242 32.600 -0.040 0.000 1.692 194 M HN 0.683 nan 8.290 nan 0.000 0.444 195 L N 2.257 123.464 121.223 -0.026 0.000 2.359 195 L HA 0.773 5.113 4.340 -0.000 0.000 0.256 195 L C 0.751 177.677 176.870 0.094 0.000 1.026 195 L CA -0.641 54.208 54.840 0.015 0.000 0.828 195 L CB 0.273 42.329 42.059 -0.006 0.000 1.406 195 L HN 0.725 nan 8.230 nan 0.000 0.413 196 G N -0.587 108.272 108.800 0.100 0.000 2.446 196 G HA2 0.349 4.309 3.960 -0.000 0.000 0.217 196 G HA3 0.349 4.309 3.960 -0.000 0.000 0.217 196 G C 0.755 175.758 174.900 0.171 0.000 1.168 196 G CA 0.957 46.142 45.100 0.142 0.000 0.771 196 G HN 1.483 nan 8.290 nan 0.000 0.551 197 G N -0.197 108.638 108.800 0.057 0.000 2.660 197 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.215 197 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.215 197 G C -1.012 173.819 174.900 -0.115 0.000 1.345 197 G CA 0.221 45.279 45.100 -0.071 0.000 0.877 197 G HN 0.409 nan 8.290 nan 0.000 0.549 198 P HA 0.072 nan 4.420 nan 0.000 0.239 198 P C 0.737 177.701 177.300 -0.560 0.000 1.188 198 P CA 0.684 63.412 63.100 -0.620 0.000 0.794 198 P CB -0.201 31.109 31.700 -0.650 0.000 0.937 199 N N 0.567 119.056 118.700 -0.352 0.000 2.415 199 N HA -0.026 4.714 4.740 -0.000 0.000 0.248 199 N C -0.535 174.792 175.510 -0.306 0.000 1.271 199 N CA -0.032 52.841 53.050 -0.295 0.000 0.913 199 N CB 0.401 38.812 38.487 -0.127 0.000 1.129 199 N HN -0.175 nan 8.380 nan 0.000 0.444 200 F N 0.083 120.003 119.950 -0.049 0.000 2.370 200 F HA 0.226 4.753 4.527 -0.000 0.000 0.324 200 F C 0.895 176.686 175.800 -0.015 0.000 1.116 200 F CA -0.578 57.410 58.000 -0.021 0.000 1.123 200 F CB 0.498 39.497 39.000 -0.002 0.000 1.238 200 F HN 0.427 nan 8.300 nan 0.000 0.536 201 E N -0.298 120.041 120.200 0.231 0.000 2.392 201 E HA 0.271 4.621 4.350 -0.000 0.000 0.259 201 E C 0.064 176.715 176.600 0.086 0.000 1.108 201 E CA -0.280 56.188 56.400 0.113 0.000 0.916 201 E CB 0.200 29.952 29.700 0.086 0.000 0.989 201 E HN 0.579 nan 8.360 nan 0.000 0.432 202 T N -2.450 112.135 114.554 0.051 0.000 2.912 202 T HA 0.253 4.603 4.350 -0.000 0.000 0.280 202 T C 1.191 175.905 174.700 0.024 0.000 0.989 202 T CA -0.837 61.285 62.100 0.035 0.000 0.995 202 T CB 0.857 69.740 68.868 0.026 0.000 1.077 202 T HN 0.110 nan 8.240 nan 0.000 0.531 203 V N 1.403 121.326 119.914 0.015 0.000 2.287 203 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 203 V C 3.175 179.273 176.094 0.008 0.000 1.053 203 V CA 2.393 64.697 62.300 0.008 0.000 1.027 203 V CB -1.728 30.098 31.823 0.004 0.000 0.646 203 V HN 1.082 nan 8.190 nan 0.000 0.447 204 A N -0.391 122.435 122.820 0.009 0.000 1.917 204 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 204 A C 2.184 179.774 177.584 0.010 0.000 1.182 204 A CA 2.195 54.237 52.037 0.009 0.000 0.633 204 A CB -0.505 18.501 19.000 0.010 0.000 0.819 204 A HN 0.663 nan 8.150 nan 0.000 0.448 205 E N -1.136 119.072 120.200 0.014 0.000 2.072 205 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 205 E C 2.051 178.658 176.600 0.010 0.000 0.982 205 E CA 1.109 57.517 56.400 0.015 0.000 0.803 205 E CB -0.314 29.399 29.700 0.020 0.000 0.755 205 E HN 0.672 nan 8.360 nan 0.000 0.453 206 C N 0.672 119.979 119.300 0.011 0.000 2.429 206 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 206 C C 2.539 177.526 174.990 -0.005 0.000 1.262 206 C CA 0.543 59.563 59.018 0.004 0.000 1.733 206 C CB -0.822 26.920 27.740 0.004 0.000 2.010 206 C HN 0.384 nan 8.230 nan 0.000 0.483 207 R N 0.296 120.795 120.500 -0.003 0.000 2.081 207 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 207 R C 2.110 178.408 176.300 -0.003 0.000 1.131 207 R CA 1.295 57.391 56.100 -0.006 0.000 0.960 207 R CB -0.647 29.652 30.300 -0.002 0.000 0.856 207 R HN 0.430 nan 8.270 nan 0.000 0.436 208 L N 1.032 122.256 121.223 0.003 0.000 2.017 208 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 208 L C 1.893 178.765 176.870 0.005 0.000 1.073 208 L CA 1.775 56.619 54.840 0.008 0.000 0.745 208 L CB -0.745 41.323 42.059 0.014 0.000 0.894 208 L HN 0.077 nan 8.230 nan 0.000 0.432 209 L N -0.088 121.134 121.223 -0.003 0.000 2.012 209 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 209 L C 2.864 179.723 176.870 -0.018 0.000 1.073 209 L CA 1.920 56.752 54.840 -0.014 0.000 0.748 209 L CB -1.604 40.441 42.059 -0.024 0.000 0.891 209 L HN 0.429 nan 8.230 nan 0.000 0.431 210 R N 0.545 121.032 120.500 -0.023 0.000 2.075 210 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 210 R C 1.893 178.179 176.300 -0.023 0.000 1.126 210 R CA 1.345 57.425 56.100 -0.034 0.000 0.963 210 R CB -0.571 29.703 30.300 -0.043 0.000 0.858 210 R HN 0.361 nan 8.270 nan 0.000 0.435 211 N N 0.465 119.158 118.700 -0.012 0.000 2.289 211 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 211 N C 1.389 176.903 175.510 0.007 0.000 1.016 211 N CA 1.099 54.147 53.050 -0.003 0.000 0.872 211 N CB -0.080 38.409 38.487 0.003 0.000 0.973 211 N HN 0.315 nan 8.380 nan 0.000 0.433 212 L N -0.786 120.444 121.223 0.012 0.000 2.552 212 L HA 0.097 4.437 4.340 -0.000 0.000 0.227 212 L C 1.243 178.128 176.870 0.025 0.000 1.146 212 L CA 0.535 55.392 54.840 0.029 0.000 0.858 212 L CB -0.251 41.833 42.059 0.041 0.000 0.969 212 L HN 0.243 nan 8.230 nan 0.000 0.451 213 G N -0.286 108.518 108.800 0.006 0.000 2.168 213 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.197 213 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.197 213 G C 0.312 175.209 174.900 -0.004 0.000 0.997 213 G CA -0.147 44.954 45.100 0.002 0.000 0.658 213 G HN 0.434 nan 8.290 nan 0.000 0.513 214 A N 0.031 122.842 122.820 -0.015 0.000 2.425 214 A HA 0.608 4.928 4.320 -0.000 0.000 0.249 214 A C 0.984 178.540 177.584 -0.046 0.000 1.084 214 A CA 0.708 52.732 52.037 -0.021 0.000 0.781 214 A CB 0.412 19.388 19.000 -0.039 0.000 1.019 214 A HN 0.173 nan 8.150 nan 0.000 0.490 215 D N 0.280 120.670 120.400 -0.016 0.000 2.379 215 D HA 0.348 4.988 4.640 -0.000 0.000 0.218 215 D C 0.480 176.803 176.300 0.039 0.000 1.006 215 D CA 1.431 55.392 54.000 -0.065 0.000 0.893 215 D CB 0.629 41.457 40.800 0.047 0.000 1.019 215 D HN 0.703 nan 8.370 nan 0.000 0.503 216 A N 0.461 123.353 122.820 0.120 0.000 2.594 216 A HA 0.555 4.875 4.320 -0.000 0.000 0.295 216 A C -1.555 176.031 177.584 0.003 0.000 1.071 216 A CA -0.559 51.580 52.037 0.170 0.000 0.685 216 A CB 2.291 21.502 19.000 0.350 0.000 1.285 216 A HN -0.073 nan 8.150 nan 0.000 0.405 217 V N 0.900 120.811 119.914 -0.006 0.000 2.656 217 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 217 V C 0.144 176.214 176.094 -0.041 0.000 1.051 217 V CA 0.720 62.928 62.300 -0.153 0.000 0.893 217 V CB 1.660 33.450 31.823 -0.056 0.000 0.999 217 V HN 1.913 nan 8.190 nan 0.000 0.426 218 G N 4.546 113.231 108.800 -0.192 0.000 2.687 218 G HA2 0.543 4.503 3.960 -0.000 0.000 0.291 218 G HA3 0.543 4.503 3.960 -0.000 0.000 0.291 218 G C -0.796 174.209 174.900 0.175 0.000 1.420 218 G CA -0.727 44.485 45.100 0.187 0.000 0.796 218 G HN 0.699 nan 8.290 nan 0.000 0.485 219 M N 1.403 121.194 119.600 0.318 0.000 2.778 219 M HA 0.362 4.842 4.480 -0.000 0.000 0.359 219 M C 0.364 176.911 176.300 0.412 0.000 1.216 219 M CA -0.334 55.167 55.300 0.335 0.000 0.935 219 M CB 0.600 33.433 32.600 0.388 0.000 1.330 219 M HN 0.615 nan 8.290 nan 0.000 0.516 220 S N -2.856 113.073 115.700 0.382 0.000 2.815 220 S HA 0.626 5.096 4.470 -0.000 0.000 0.296 220 S C 0.460 175.166 174.600 0.177 0.000 1.224 220 S CA 0.166 58.517 58.200 0.252 0.000 0.938 220 S CB 1.447 64.787 63.200 0.232 0.000 1.285 220 S HN 0.256 nan 8.310 nan 0.000 0.549 221 T N 0.027 114.598 114.554 0.028 0.000 12.655 221 T HA -0.283 4.067 4.350 -0.000 0.000 0.417 221 T C 1.411 176.074 174.700 -0.061 0.000 1.457 221 T CA 1.737 63.813 62.100 -0.040 0.000 2.398 221 T CB -2.310 66.475 68.868 -0.138 0.000 2.819 221 T HN 1.158 nan 8.240 nan 0.000 0.750 222 V N 2.810 122.695 119.914 -0.049 0.000 2.278 222 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 222 V C -0.194 175.731 176.094 -0.281 0.000 1.062 222 V CA 2.840 65.005 62.300 -0.224 0.000 1.038 222 V CB -1.629 29.989 31.823 -0.341 0.000 0.646 222 V HN 0.455 nan 8.190 nan 0.000 0.447 223 P HA -0.119 nan 4.420 nan 0.000 0.218 223 P C 1.515 178.670 177.300 -0.242 0.000 1.149 223 P CA 1.263 64.102 63.100 -0.435 0.000 0.817 223 P CB 0.013 31.260 31.700 -0.754 0.000 0.785 224 E N -0.886 119.208 120.200 -0.177 0.000 2.107 224 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 224 E C 1.894 178.432 176.600 -0.102 0.000 0.982 224 E CA 0.743 57.068 56.400 -0.126 0.000 0.809 224 E CB -0.525 29.115 29.700 -0.099 0.000 0.756 224 E HN 0.021 nan 8.360 nan 0.000 0.459 225 V N 1.560 121.421 119.914 -0.088 0.000 2.427 225 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 225 V C 2.124 178.182 176.094 -0.061 0.000 1.051 225 V CA 1.042 63.295 62.300 -0.077 0.000 1.048 225 V CB -0.355 31.448 31.823 -0.033 0.000 0.666 225 V HN 0.280 nan 8.190 nan 0.000 0.456 226 I N 0.141 120.679 120.570 -0.053 0.000 2.099 226 I HA -0.192 3.978 4.170 -0.000 0.000 0.239 226 I C 2.513 178.617 176.117 -0.022 0.000 1.066 226 I CA 1.635 62.921 61.300 -0.024 0.000 1.324 226 I CB -1.303 36.660 38.000 -0.062 0.000 1.037 226 I HN 0.163 nan 8.210 nan 0.000 0.401 227 V N 1.485 121.357 119.914 -0.070 0.000 2.332 227 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 227 V C 2.848 178.912 176.094 -0.049 0.000 1.055 227 V CA 1.855 64.109 62.300 -0.077 0.000 1.038 227 V CB -1.242 30.494 31.823 -0.145 0.000 0.651 227 V HN 0.489 nan 8.190 nan 0.000 0.450 228 A N -0.155 122.625 122.820 -0.067 0.000 1.902 228 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 228 A C 2.336 179.902 177.584 -0.030 0.000 1.181 228 A CA 1.479 53.483 52.037 -0.054 0.000 0.623 228 A CB -0.428 18.538 19.000 -0.056 0.000 0.818 228 A HN 0.395 nan 8.150 nan 0.000 0.443 229 R N -0.806 119.678 120.500 -0.027 0.000 2.115 229 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 229 R C 2.081 178.394 176.300 0.021 0.000 1.111 229 R CA 1.395 57.484 56.100 -0.018 0.000 0.976 229 R CB -1.110 29.169 30.300 -0.036 0.000 0.870 229 R HN 0.857 nan 8.270 nan 0.000 0.445 230 H N 0.434 119.479 119.070 -0.042 0.000 2.389 230 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 230 H C 1.391 176.717 175.328 -0.004 0.000 1.081 230 H CA 1.834 57.868 56.048 -0.024 0.000 1.345 230 H CB 0.259 29.998 29.762 -0.039 0.000 1.393 230 H HN 0.304 nan 8.280 nan 0.000 0.520 231 C N -0.813 118.457 119.300 -0.051 0.000 2.754 231 C HA 0.560 5.020 4.460 -0.000 0.000 0.276 231 C C 1.703 176.680 174.990 -0.022 0.000 1.264 231 C CA 0.314 59.309 59.018 -0.039 0.000 1.700 231 C CB -0.465 27.299 27.740 0.041 0.000 1.885 231 C HN 0.742 nan 8.230 nan 0.000 0.607 232 G N 0.934 109.712 108.800 -0.037 0.000 2.157 232 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.239 232 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.239 232 G C -0.152 174.744 174.900 -0.007 0.000 0.982 232 G CA 0.149 45.236 45.100 -0.022 0.000 0.650 232 G HN 0.636 nan 8.290 nan 0.000 0.527 233 L N 0.512 121.732 121.223 -0.006 0.000 2.417 233 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 233 L C 1.369 178.238 176.870 -0.001 0.000 1.158 233 L CA -0.726 54.115 54.840 0.002 0.000 0.819 233 L CB 0.737 42.799 42.059 0.005 0.000 1.112 233 L HN 0.268 nan 8.230 nan 0.000 0.458 234 R N 1.878 122.391 120.500 0.021 0.000 2.389 234 R HA 0.479 4.819 4.340 -0.000 0.000 0.295 234 R C -1.292 175.041 176.300 0.055 0.000 1.075 234 R CA -0.342 55.785 56.100 0.046 0.000 1.005 234 R CB 0.857 31.205 30.300 0.080 0.000 0.987 234 R HN 0.444 nan 8.270 nan 0.000 0.452 235 V N 5.804 125.746 119.914 0.047 0.000 2.823 235 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 235 V C -0.932 175.270 176.094 0.180 0.000 1.072 235 V CA -0.697 61.610 62.300 0.011 0.000 0.937 235 V CB 1.664 33.408 31.823 -0.133 0.000 1.013 235 V HN 0.806 nan 8.190 nan 0.000 0.430 236 F N 0.869 120.810 119.950 -0.014 0.000 2.690 236 F HA 0.924 5.451 4.527 -0.000 0.000 0.311 236 F C -0.351 175.350 175.800 -0.166 0.000 1.111 236 F CA -0.341 57.646 58.000 -0.022 0.000 1.003 236 F CB 1.315 40.255 39.000 -0.101 0.000 1.283 236 F HN 0.818 nan 8.300 nan 0.000 0.442 237 G N 1.240 109.884 108.800 -0.260 0.000 2.682 237 G HA2 0.738 4.698 3.960 -0.000 0.000 0.290 237 G HA3 0.738 4.698 3.960 -0.000 0.000 0.290 237 G C -2.472 171.967 174.900 -0.767 0.000 1.425 237 G CA -1.037 43.762 45.100 -0.501 0.000 0.807 237 G HN 0.617 nan 8.290 nan 0.000 0.482 238 F N -0.421 119.512 119.950 -0.028 0.000 2.588 238 F HA 0.732 5.259 4.527 -0.000 0.000 0.314 238 F C 0.305 176.066 175.800 -0.065 0.000 1.069 238 F CA -0.890 57.097 58.000 -0.023 0.000 0.931 238 F CB 2.832 41.864 39.000 0.052 0.000 1.260 238 F HN 0.304 nan 8.300 nan 0.000 0.465 239 S N 2.150 117.931 115.700 0.135 0.000 2.552 239 S HA 0.460 4.930 4.470 -0.000 0.000 0.314 239 S C -0.936 173.712 174.600 0.081 0.000 1.099 239 S CA -0.588 57.657 58.200 0.075 0.000 1.070 239 S CB 1.190 64.435 63.200 0.075 0.000 0.998 239 S HN 0.577 nan 8.310 nan 0.000 0.474 240 L N 5.114 126.386 121.223 0.081 0.000 2.315 240 L HA 0.386 4.725 4.340 -0.000 0.000 0.283 240 L C -0.657 176.247 176.870 0.055 0.000 1.089 240 L CA -0.573 54.297 54.840 0.050 0.000 0.833 240 L CB 0.202 42.292 42.059 0.052 0.000 1.170 240 L HN 0.555 nan 8.230 nan 0.000 0.442 241 I N 5.448 126.031 120.570 0.022 0.000 2.372 241 I HA -0.020 4.150 4.170 -0.000 0.000 0.298 241 I C 1.630 177.773 176.117 0.044 0.000 1.137 241 I CA 0.240 61.571 61.300 0.051 0.000 1.314 241 I CB 0.369 38.382 38.000 0.021 0.000 1.444 241 I HN 0.649 nan 8.210 nan 0.000 0.541 242 T N 2.270 116.857 114.554 0.054 0.000 3.088 242 T HA 0.033 4.383 4.350 -0.000 0.000 0.259 242 T C 0.525 175.230 174.700 0.008 0.000 1.122 242 T CA 0.066 62.181 62.100 0.025 0.000 1.095 242 T CB -0.275 68.605 68.868 0.020 0.000 0.930 242 T HN 0.687 nan 8.240 nan 0.000 0.508 243 N N -0.732 117.983 118.700 0.024 0.000 3.043 243 N HA 0.279 5.019 4.740 -0.000 0.000 0.243 243 N C -2.217 173.310 175.510 0.029 0.000 1.347 243 N CA -1.155 51.897 53.050 0.002 0.000 0.896 243 N CB 1.123 39.579 38.487 -0.051 0.000 1.501 243 N HN 0.010 nan 8.380 nan 0.000 0.504 244 K N 1.042 121.451 120.400 0.015 0.000 2.240 244 K HA 0.468 4.788 4.320 -0.000 0.000 0.271 244 K C -0.249 176.348 176.600 -0.005 0.000 1.018 244 K CA -1.031 55.272 56.287 0.026 0.000 0.874 244 K CB 1.696 34.211 32.500 0.026 0.000 1.098 244 K HN 0.509 nan 8.250 nan 0.000 0.458 245 V N 0.994 120.905 119.914 -0.004 0.000 2.775 245 V HA 0.239 4.359 4.120 -0.000 0.000 0.299 245 V C 0.469 176.551 176.094 -0.020 0.000 1.062 245 V CA -0.901 61.387 62.300 -0.021 0.000 1.063 245 V CB 0.361 32.179 31.823 -0.008 0.000 0.994 245 V HN 0.509 nan 8.190 nan 0.000 0.483 246 I N 5.747 126.301 120.570 -0.026 0.000 2.598 246 I HA 0.124 4.294 4.170 -0.000 0.000 0.284 246 I C 0.808 176.917 176.117 -0.012 0.000 1.140 246 I CA 0.376 61.664 61.300 -0.019 0.000 1.420 246 I CB 1.018 39.006 38.000 -0.021 0.000 1.387 246 I HN 0.760 nan 8.210 nan 0.000 0.553 247 M N 4.261 123.854 119.600 -0.012 0.000 2.306 247 M HA 0.153 4.633 4.480 -0.000 0.000 0.292 247 M C -0.018 176.277 176.300 -0.008 0.000 1.018 247 M CA 0.138 55.432 55.300 -0.010 0.000 1.007 247 M CB -0.161 32.430 32.600 -0.015 0.000 1.510 247 M HN 0.502 nan 8.290 nan 0.000 0.537 248 D N -0.579 119.817 120.400 -0.007 0.000 2.619 248 D HA 0.293 4.933 4.640 -0.000 0.000 0.241 248 D C 0.134 176.431 176.300 -0.004 0.000 1.087 248 D CA -0.190 53.807 54.000 -0.005 0.000 0.851 248 D CB 1.639 42.436 40.800 -0.005 0.000 1.474 248 D HN -0.180 nan 8.370 nan 0.000 0.478 249 T N 0.809 115.362 114.554 -0.002 0.000 2.833 249 T HA -0.128 4.221 4.350 -0.000 0.000 0.269 249 T C 0.271 174.970 174.700 -0.002 0.000 1.054 249 T CA 1.169 63.268 62.100 -0.001 0.000 1.135 249 T CB -0.088 68.780 68.868 0.000 0.000 0.869 249 T HN 0.423 nan 8.240 nan 0.000 0.466 250 E N 1.988 122.187 120.200 -0.002 0.000 1.986 250 E HA 0.461 4.811 4.350 -0.000 0.000 0.264 250 E C -0.030 176.568 176.600 -0.004 0.000 1.023 250 E CA -0.403 55.995 56.400 -0.002 0.000 0.834 250 E CB 0.533 30.232 29.700 -0.002 0.000 1.111 250 E HN 0.465 nan 8.360 nan 0.000 0.417 251 S N 1.078 116.775 115.700 -0.005 0.000 2.930 251 S HA 0.137 4.607 4.470 -0.000 0.000 0.306 251 S C 0.522 175.117 174.600 -0.008 0.000 1.238 251 S CA -0.762 57.434 58.200 -0.007 0.000 1.000 251 S CB 0.379 63.574 63.200 -0.009 0.000 1.342 251 S HN 0.102 nan 8.310 nan 0.000 0.575 252 Q N 0.853 120.646 119.800 -0.011 0.000 2.234 252 Q HA 0.227 4.567 4.340 -0.000 0.000 0.206 252 Q C 1.825 177.816 176.000 -0.014 0.000 0.980 252 Q CA 2.237 58.032 55.803 -0.014 0.000 0.869 252 Q CB -1.178 27.549 28.738 -0.019 0.000 0.912 252 Q HN 1.217 nan 8.270 nan 0.000 0.436 253 G N 1.486 110.277 108.800 -0.015 0.000 3.099 253 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.331 253 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.331 253 G C -0.212 174.677 174.900 -0.018 0.000 1.216 253 G CA 0.650 45.742 45.100 -0.012 0.000 0.977 253 G HN 0.511 nan 8.290 nan 0.000 0.600 254 K N 1.496 121.890 120.400 -0.010 0.000 2.365 254 K HA 0.384 4.704 4.320 -0.000 0.000 0.268 254 K C 0.295 176.871 176.600 -0.039 0.000 1.173 254 K CA 0.551 56.834 56.287 -0.006 0.000 1.204 254 K CB 0.012 32.516 32.500 0.007 0.000 0.832 254 K HN 1.376 nan 8.250 nan 0.000 0.481 255 A N 4.972 127.750 122.820 -0.069 0.000 2.655 255 A HA 0.056 4.376 4.320 -0.000 0.000 0.297 255 A C -0.068 177.366 177.584 -0.249 0.000 1.461 255 A CA -0.642 51.260 52.037 -0.226 0.000 1.146 255 A CB -0.749 18.041 19.000 -0.349 0.000 1.108 255 A HN 0.972 nan 8.150 nan 0.000 0.550 256 N N 0.736 119.345 118.700 -0.152 0.000 2.327 256 N HA 0.040 4.779 4.740 -0.000 0.000 0.257 256 N C 0.314 175.810 175.510 -0.024 0.000 1.281 256 N CA -0.369 52.668 53.050 -0.023 0.000 0.942 256 N CB 0.185 38.674 38.487 0.004 0.000 1.199 256 N HN 0.528 nan 8.380 nan 0.000 0.532 257 H N -0.912 118.185 119.070 0.045 0.000 2.591 257 H HA 0.140 4.696 4.556 -0.000 0.000 0.302 257 H C -0.330 175.030 175.328 0.054 0.000 1.163 257 H CA -0.100 56.018 56.048 0.117 0.000 1.049 257 H CB 0.032 29.924 29.762 0.217 0.000 1.543 257 H HN 0.669 nan 8.280 nan 0.000 0.523 258 E N 0.462 120.619 120.200 -0.073 0.000 2.485 258 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 258 E C 1.073 177.590 176.600 -0.139 0.000 1.098 258 E CA -0.053 56.293 56.400 -0.090 0.000 0.878 258 E CB 0.303 29.970 29.700 -0.054 0.000 0.939 258 E HN 0.680 nan 8.360 nan 0.000 0.503 259 E N 0.097 120.155 120.200 -0.237 0.000 2.267 259 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 259 E C 2.103 178.619 176.600 -0.140 0.000 0.998 259 E CA 1.303 57.596 56.400 -0.179 0.000 0.830 259 E CB -0.153 29.429 29.700 -0.197 0.000 0.751 259 E HN 0.272 nan 8.360 nan 0.000 0.491 260 V N -1.042 118.771 119.914 -0.168 0.000 3.026 260 V HA -0.189 3.931 4.120 -0.000 0.000 0.265 260 V C 1.907 177.975 176.094 -0.044 0.000 1.121 260 V CA 1.192 63.443 62.300 -0.082 0.000 1.142 260 V CB -0.747 31.047 31.823 -0.048 0.000 0.730 260 V HN 0.181 nan 8.190 nan 0.000 0.503 261 L N -0.313 120.883 121.223 -0.045 0.000 2.068 261 L HA 0.005 4.345 4.340 -0.000 0.000 0.204 261 L C 2.731 179.589 176.870 -0.020 0.000 1.076 261 L CA 1.527 56.351 54.840 -0.027 0.000 0.753 261 L CB -0.573 41.471 42.059 -0.026 0.000 0.910 261 L HN 0.277 nan 8.230 nan 0.000 0.439 262 E N 0.881 121.067 120.200 -0.022 0.000 2.158 262 E HA 0.043 4.393 4.350 -0.000 0.000 0.191 262 E C 0.884 177.479 176.600 -0.008 0.000 0.982 262 E CA 0.562 56.956 56.400 -0.011 0.000 0.823 262 E CB -0.182 29.514 29.700 -0.007 0.000 0.766 262 E HN 0.376 nan 8.360 nan 0.000 0.468 263 A N -0.071 122.741 122.820 -0.014 0.000 2.450 263 A HA 0.474 4.794 4.320 -0.000 0.000 0.255 263 A C 1.485 179.063 177.584 -0.010 0.000 1.096 263 A CA 0.512 52.543 52.037 -0.009 0.000 0.778 263 A CB -0.333 18.658 19.000 -0.016 0.000 1.031 263 A HN 0.346 nan 8.150 nan 0.000 0.494 264 G N 2.220 111.016 108.800 -0.007 0.000 2.396 264 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.242 264 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.242 264 G C 0.544 175.441 174.900 -0.005 0.000 1.069 264 G CA 1.171 46.267 45.100 -0.007 0.000 0.633 264 G HN 0.907 nan 8.290 nan 0.000 0.517 265 K N -0.760 119.637 120.400 -0.006 0.000 2.209 265 K HA 0.716 5.036 4.320 -0.000 0.000 0.252 265 K C 1.079 177.677 176.600 -0.004 0.000 1.062 265 K CA -0.215 56.069 56.287 -0.006 0.000 1.003 265 K CB 0.403 32.899 32.500 -0.007 0.000 1.495 265 K HN 0.230 nan 8.250 nan 0.000 0.641 266 Q N -0.349 119.448 119.800 -0.005 0.000 2.495 266 Q HA -0.401 3.939 4.340 -0.000 0.000 0.447 266 Q C 1.395 177.395 176.000 -0.000 0.000 0.536 266 Q CA 2.478 58.279 55.803 -0.004 0.000 0.992 266 Q CB -1.332 27.404 28.738 -0.003 0.000 2.136 266 Q HN 0.734 nan 8.270 nan 0.000 1.021 267 A N -0.465 122.358 122.820 0.005 0.000 2.123 267 A HA 0.349 4.669 4.320 -0.000 0.000 0.214 267 A C 1.983 179.577 177.584 0.017 0.000 1.152 267 A CA 1.540 53.585 52.037 0.014 0.000 0.728 267 A CB -0.485 18.524 19.000 0.016 0.000 0.814 267 A HN 0.730 nan 8.150 nan 0.000 0.464 268 A N 0.076 122.903 122.820 0.012 0.000 1.908 268 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 268 A C 2.070 179.662 177.584 0.013 0.000 1.181 268 A CA 1.742 53.787 52.037 0.014 0.000 0.627 268 A CB -0.573 18.432 19.000 0.008 0.000 0.818 268 A HN 0.631 nan 8.150 nan 0.000 0.445 269 Q N -0.859 118.944 119.800 0.005 0.000 2.124 269 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 269 Q C 2.130 178.132 176.000 0.003 0.000 0.977 269 Q CA 1.802 57.606 55.803 0.001 0.000 0.850 269 Q CB -0.172 28.561 28.738 -0.007 0.000 0.901 269 Q HN 0.711 nan 8.270 nan 0.000 0.429 270 K N 0.498 120.900 120.400 0.004 0.000 2.103 270 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 270 K C 1.857 178.488 176.600 0.052 0.000 1.052 270 K CA 0.514 56.800 56.287 -0.002 0.000 0.945 270 K CB -0.031 32.463 32.500 -0.010 0.000 0.722 270 K HN 0.079 nan 8.250 nan 0.000 0.443 271 L N 1.635 122.893 121.223 0.059 0.000 2.056 271 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 271 L C 1.587 178.496 176.870 0.065 0.000 1.078 271 L CA 1.769 56.653 54.840 0.074 0.000 0.749 271 L CB -0.323 41.756 42.059 0.034 0.000 0.901 271 L HN 0.222 nan 8.230 nan 0.000 0.433 272 E N -0.935 119.289 120.200 0.039 0.000 2.051 272 E HA -0.312 4.038 4.350 -0.000 0.000 0.192 272 E C 2.100 178.722 176.600 0.036 0.000 0.991 272 E CA 1.353 57.769 56.400 0.026 0.000 0.799 272 E CB -0.194 29.514 29.700 0.014 0.000 0.748 272 E HN 0.528 nan 8.360 nan 0.000 0.449 273 Q N 0.397 120.224 119.800 0.044 0.000 2.096 273 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 273 Q C 1.850 177.914 176.000 0.106 0.000 0.982 273 Q CA 1.446 57.276 55.803 0.046 0.000 0.850 273 Q CB -0.363 28.384 28.738 0.015 0.000 0.901 273 Q HN 0.263 nan 8.270 nan 0.000 0.422 274 F N -0.280 119.630 119.950 -0.066 0.000 2.102 274 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 274 F C 1.900 177.670 175.800 -0.050 0.000 1.105 274 F CA 1.229 59.191 58.000 -0.064 0.000 1.239 274 F CB -0.665 38.288 39.000 -0.077 0.000 0.991 274 F HN 0.007 nan 8.300 nan 0.000 0.474 275 V N -0.602 119.260 119.914 -0.086 0.000 2.343 275 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 275 V C 2.512 178.577 176.094 -0.049 0.000 1.051 275 V CA 1.981 64.213 62.300 -0.114 0.000 1.036 275 V CB -1.109 30.696 31.823 -0.031 0.000 0.654 275 V HN 0.318 nan 8.190 nan 0.000 0.451 276 S N 0.183 115.874 115.700 -0.014 0.000 2.359 276 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 276 S C 1.926 176.525 174.600 -0.000 0.000 1.035 276 S CA 1.684 59.885 58.200 0.002 0.000 1.018 276 S CB -0.422 62.783 63.200 0.009 0.000 0.876 276 S HN 0.467 nan 8.310 nan 0.000 0.448 277 L N 1.034 122.254 121.223 -0.005 0.000 2.046 277 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 277 L C 2.315 179.170 176.870 -0.025 0.000 1.077 277 L CA 0.707 55.546 54.840 -0.003 0.000 0.747 277 L CB -0.523 41.555 42.059 0.031 0.000 0.896 277 L HN 0.289 nan 8.230 nan 0.000 0.432 278 L N -0.887 120.285 121.223 -0.086 0.000 2.127 278 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 278 L C 2.543 179.431 176.870 0.031 0.000 1.089 278 L CA 1.726 56.522 54.840 -0.074 0.000 0.757 278 L CB -0.734 41.259 42.059 -0.110 0.000 0.899 278 L HN 0.336 nan 8.230 nan 0.000 0.434 279 M N -0.539 119.093 119.600 0.053 0.000 2.144 279 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 279 M C 2.275 178.662 176.300 0.144 0.000 1.067 279 M CA 1.921 57.280 55.300 0.097 0.000 1.095 279 M CB -0.760 31.882 32.600 0.070 0.000 1.365 279 M HN 0.252 nan 8.290 nan 0.000 0.406 280 A N -1.694 121.172 122.820 0.076 0.000 1.898 280 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 280 A C 2.285 179.860 177.584 -0.015 0.000 1.181 280 A CA 2.065 54.108 52.037 0.009 0.000 0.620 280 A CB -0.921 18.045 19.000 -0.055 0.000 0.819 280 A HN 0.498 nan 8.150 nan 0.000 0.442 281 S N -0.251 115.453 115.700 0.007 0.000 2.423 281 S HA 0.057 4.527 4.470 -0.000 0.000 0.231 281 S C 0.830 175.463 174.600 0.054 0.000 1.014 281 S CA 0.126 58.326 58.200 -0.001 0.000 0.965 281 S CB -0.509 62.675 63.200 -0.027 0.000 0.785 281 S HN 0.502 nan 8.310 nan 0.000 0.495 282 I N 3.188 123.822 120.570 0.107 0.000 2.826 282 I HA -0.006 4.164 4.170 -0.000 0.000 0.295 282 I C -2.193 174.020 176.117 0.160 0.000 1.213 282 I CA -1.491 59.881 61.300 0.119 0.000 1.436 282 I CB 0.159 38.249 38.000 0.151 0.000 1.348 282 I HN 0.012 nan 8.210 nan 0.000 0.570 283 P HA 0.158 nan 4.420 nan 0.000 0.270 283 P C -0.853 176.466 177.300 0.031 0.000 1.227 283 P CA 0.092 63.240 63.100 0.081 0.000 0.788 283 P CB 0.478 32.204 31.700 0.043 0.000 0.926 284 V N -1.418 118.509 119.914 0.020 0.000 3.494 284 V HA -0.164 3.956 4.120 -0.000 0.000 0.500 284 V C -0.081 175.917 176.094 -0.159 0.000 0.682 284 V CA 0.188 62.462 62.300 -0.042 0.000 2.050 284 V CB -1.394 30.398 31.823 -0.051 0.000 2.483 284 V HN 0.672 nan 8.190 nan 0.000 0.507 285 S N 2.432 118.071 115.700 -0.101 0.000 2.528 285 S HA 0.675 5.145 4.470 -0.000 0.000 0.277 285 S C 0.968 175.453 174.600 -0.191 0.000 1.297 285 S CA 0.448 58.581 58.200 -0.113 0.000 1.052 285 S CB 1.494 64.691 63.200 -0.005 0.000 0.917 285 S HN 1.923 nan 8.310 nan 0.000 0.492 286 G N 1.611 110.268 108.800 -0.240 0.000 3.989 286 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.183 286 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.183 286 G C -0.344 174.522 174.900 -0.056 0.000 0.892 286 G CA -0.694 44.316 45.100 -0.150 0.000 0.914 286 G HN 0.803 nan 8.290 nan 0.000 0.347 287 H N 2.118 121.196 119.070 0.013 0.000 3.356 287 H HA 0.602 5.158 4.556 -0.000 0.000 0.260 287 H C 1.217 176.551 175.328 0.009 0.000 1.570 287 H CA 0.393 56.447 56.048 0.011 0.000 1.547 287 H CB -0.636 29.132 29.762 0.011 0.000 1.774 287 H HN 0.251 nan 8.280 nan 0.000 0.542 288 T N 0.353 115.003 114.554 0.161 0.000 13.097 288 T HA -0.239 4.111 4.350 -0.000 0.000 0.418 288 T C 0.976 175.739 174.700 0.106 0.000 1.446 288 T CA 2.164 64.324 62.100 0.100 0.000 2.371 288 T CB -1.451 67.455 68.868 0.064 0.000 2.810 288 T HN 0.980 nan 8.240 nan 0.000 0.655 289 G N 0.000 108.901 108.800 0.168 0.000 5.446 289 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 289 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 289 G CA 0.000 45.181 45.100 0.136 0.000 0.502 289 G HN 0.000 nan 8.290 nan 0.000 0.925