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 3o6w_1_A DATA FIRST_RESID 19 DATA SEQUENCE VPANLMEQIH GLETLFTVSS EKMRSIVKHF ISELDKGLSK KGGNIPMIPG DATA SEQUENCE WVVEYPTGKE TGDFLALDLG GTNLRVVLVK LGGNHDFDTT QNKYRLPDHL DATA SEQUENCE RTGTSEQLWS FIAKCLKEFV DEWYPDGVSE PLPLGFTFSY PASQKKINSG DATA SEQUENCE VLQRWTKGFD IEGVEGHDVV PMLQEQIEKL NIPINVVALI NDTTGTLVAS DATA SEQUENCE LYTDPQTKMG IIIGTGVNGA YYDVVSGIEK LEGLLPEDIG PDSPMAINCE DATA SEQUENCE YGSFDNEHLV LPRTKYDVII DEESPRPGQQ AFEKMTSGYY LGEIMRLVLL DATA SEQUENCE DLYDSGFIFK DQDISKLKEA YVMDTSYPSK IEDDPFENLE DTDDLFKTNL DATA SEQUENCE NIETTVVERK LIRKLAELVG TRAARLTVCG VSAICDKRGY KTAHIAADGS DATA SEQUENCE VFNRYPGYKE KAAQALKDIY NWDVEKMEDH PIQLVAAEDG SGVGAAIIAC DATA SEQUENCE LTQKRLAAGK SVGIKGE 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 19 V HA 0.000 nan 4.120 nan 0.000 0.244 19 V C 0.000 176.071 176.094 -0.039 0.000 1.182 19 V CA 0.000 62.277 62.300 -0.039 0.000 1.235 19 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 20 P HA 0.443 nan 4.420 nan 0.000 0.273 20 P C 0.993 178.268 177.300 -0.041 0.000 1.250 20 P CA 0.161 63.246 63.100 -0.025 0.000 0.793 20 P CB 0.750 32.444 31.700 -0.010 0.000 1.011 21 A N 1.137 123.942 122.820 -0.025 0.000 1.940 21 A HA -0.236 4.399 4.320 0.526 0.000 0.219 21 A C 1.854 179.406 177.584 -0.053 0.000 1.176 21 A CA 1.794 53.813 52.037 -0.030 0.000 0.631 21 A CB -1.162 17.835 19.000 -0.005 0.000 0.814 21 A HN 0.664 nan 8.150 nan 0.000 0.446 22 N N 0.348 119.027 118.700 -0.036 0.000 2.043 22 N HA -0.139 4.917 4.740 0.526 0.000 0.193 22 N C 1.723 177.115 175.510 -0.198 0.000 1.037 22 N CA 1.671 54.688 53.050 -0.055 0.000 0.851 22 N CB -0.448 38.080 38.487 0.069 0.000 1.027 22 N HN 0.439 nan 8.380 nan 0.000 0.422 23 L N 0.513 121.642 121.223 -0.157 0.000 2.141 23 L HA -0.036 4.620 4.340 0.526 0.000 0.209 23 L C 2.446 179.178 176.870 -0.231 0.000 1.094 23 L CA 0.676 55.390 54.840 -0.210 0.000 0.763 23 L CB -0.314 41.663 42.059 -0.138 0.000 0.908 23 L HN 0.174 nan 8.230 nan 0.000 0.437 24 M N -0.176 119.299 119.600 -0.208 0.000 2.117 24 M HA -0.231 4.565 4.480 0.526 0.000 0.262 24 M C 2.112 178.168 176.300 -0.408 0.000 1.065 24 M CA 1.549 56.665 55.300 -0.306 0.000 1.114 24 M CB -0.899 31.562 32.600 -0.231 0.000 1.361 24 M HN 0.266 nan 8.290 nan 0.000 0.408 25 E N -0.448 119.610 120.200 -0.236 0.000 2.077 25 E HA -0.230 4.435 4.350 0.526 0.000 0.193 25 E C 1.884 178.371 176.600 -0.189 0.000 0.989 25 E CA 1.063 57.377 56.400 -0.143 0.000 0.800 25 E CB 0.236 29.880 29.700 -0.092 0.000 0.746 25 E HN 0.396 nan 8.360 nan 0.000 0.452 26 Q N 0.233 119.847 119.800 -0.310 0.000 2.119 26 Q HA -0.097 4.559 4.340 0.526 0.000 0.201 26 Q C 2.269 178.156 176.000 -0.188 0.000 0.972 26 Q CA 0.931 56.544 55.803 -0.316 0.000 0.847 26 Q CB -0.213 28.220 28.738 -0.510 0.000 0.903 26 Q HN 0.461 nan 8.270 nan 0.000 0.433 27 I N 0.348 120.790 120.570 -0.213 0.000 2.226 27 I HA -0.269 4.217 4.170 0.526 0.000 0.245 27 I C 2.074 178.151 176.117 -0.066 0.000 1.100 27 I CA 1.003 62.213 61.300 -0.150 0.000 1.374 27 I CB -0.327 37.557 38.000 -0.194 0.000 1.057 27 I HN 0.234 nan 8.210 nan 0.000 0.413 28 H N 0.515 119.556 119.070 -0.048 0.000 2.421 28 H HA -0.075 4.796 4.556 0.526 0.000 0.298 28 H C 2.318 177.625 175.328 -0.034 0.000 1.087 28 H CA 1.302 57.329 56.048 -0.034 0.000 1.330 28 H CB -0.802 28.937 29.762 -0.038 0.000 1.388 28 H HN 0.359 nan 8.280 nan 0.000 0.526 29 G N 0.718 109.555 108.800 0.061 0.000 2.402 29 G HA2 -0.158 4.118 3.960 0.526 0.000 0.216 29 G HA3 -0.158 4.118 3.960 0.526 0.000 0.216 29 G C 1.904 176.808 174.900 0.008 0.000 1.162 29 G CA 0.494 45.601 45.100 0.012 0.000 0.777 29 G HN 0.300 nan 8.290 nan 0.000 0.539 30 L N 0.167 121.410 121.223 0.034 0.000 2.042 30 L HA -0.094 4.561 4.340 0.526 0.000 0.210 30 L C 2.865 179.823 176.870 0.147 0.000 1.076 30 L CA 1.414 56.322 54.840 0.113 0.000 0.749 30 L CB -0.512 41.635 42.059 0.147 0.000 0.893 30 L HN 0.307 nan 8.230 nan 0.000 0.432 31 E N -0.406 119.864 120.200 0.116 0.000 2.106 31 E HA -0.161 4.505 4.350 0.526 0.000 0.192 31 E C 2.110 178.748 176.600 0.064 0.000 0.984 31 E CA 1.697 58.166 56.400 0.115 0.000 0.806 31 E CB -0.109 29.662 29.700 0.118 0.000 0.750 31 E HN 0.448 nan 8.360 nan 0.000 0.458 32 T N 1.466 116.034 114.554 0.023 0.000 2.821 32 T HA -0.092 4.574 4.350 0.526 0.000 0.267 32 T C 1.947 176.599 174.700 -0.079 0.000 1.046 32 T CA 0.662 62.750 62.100 -0.021 0.000 1.139 32 T CB -0.131 68.721 68.868 -0.026 0.000 0.871 32 T HN 0.067 nan 8.240 nan 0.000 0.454 33 L N -0.613 120.511 121.223 -0.165 0.000 2.017 33 L HA -0.033 4.623 4.340 0.526 0.000 0.208 33 L C 1.837 178.448 176.870 -0.431 0.000 1.073 33 L CA 1.508 56.097 54.840 -0.417 0.000 0.745 33 L CB -0.256 41.312 42.059 -0.818 0.000 0.894 33 L HN 0.252 nan 8.230 nan 0.000 0.432 34 F N -1.946 118.030 119.950 0.042 0.000 2.724 34 F HA 0.132 4.974 4.527 0.525 0.000 0.306 34 F C 1.205 177.022 175.800 0.028 0.000 1.100 34 F CA -0.385 57.637 58.000 0.037 0.000 1.255 34 F CB -0.277 38.743 39.000 0.034 0.000 1.072 34 F HN -0.232 nan 8.300 nan 0.000 0.589 35 T N 2.102 116.752 114.554 0.159 0.000 2.901 35 T HA 0.349 5.014 4.350 0.526 0.000 0.301 35 T C -0.037 174.707 174.700 0.074 0.000 1.012 35 T CA 0.127 62.288 62.100 0.103 0.000 1.135 35 T CB 1.234 70.141 68.868 0.066 0.000 0.936 35 T HN -0.277 nan 8.240 nan 0.000 0.539 36 V N 4.316 124.268 119.914 0.064 0.000 2.378 36 V HA 0.355 4.791 4.120 0.526 0.000 0.288 36 V C 0.571 176.677 176.094 0.021 0.000 1.016 36 V CA -0.984 61.344 62.300 0.046 0.000 0.840 36 V CB 1.381 33.240 31.823 0.061 0.000 0.994 36 V HN 1.095 nan 8.190 nan 0.000 0.431 37 S N 3.292 118.997 115.700 0.008 0.000 2.600 37 S HA 0.124 4.910 4.470 0.526 0.000 0.265 37 S C 1.593 176.177 174.600 -0.026 0.000 1.325 37 S CA 0.155 58.349 58.200 -0.009 0.000 1.002 37 S CB 1.270 64.462 63.200 -0.014 0.000 0.921 37 S HN 1.061 nan 8.310 nan 0.000 0.554 38 S N 0.999 116.673 115.700 -0.044 0.000 2.383 38 S HA -0.186 4.600 4.470 0.526 0.000 0.229 38 S C 1.356 175.908 174.600 -0.079 0.000 1.030 38 S CA 1.339 59.493 58.200 -0.077 0.000 1.002 38 S CB -0.855 62.290 63.200 -0.091 0.000 0.829 38 S HN 0.796 nan 8.310 nan 0.000 0.467 39 E N 1.669 121.835 120.200 -0.056 0.000 2.072 39 E HA -0.010 4.656 4.350 0.526 0.000 0.191 39 E C 2.051 178.628 176.600 -0.038 0.000 0.985 39 E CA 1.244 57.614 56.400 -0.050 0.000 0.801 39 E CB -0.291 29.386 29.700 -0.038 0.000 0.750 39 E HN 0.555 nan 8.360 nan 0.000 0.452 40 K N 0.574 120.959 120.400 -0.024 0.000 2.057 40 K HA -0.047 4.589 4.320 0.526 0.000 0.207 40 K C 1.891 178.494 176.600 0.004 0.000 1.049 40 K CA 1.426 57.710 56.287 -0.005 0.000 0.931 40 K CB -0.201 32.303 32.500 0.006 0.000 0.714 40 K HN 0.093 nan 8.250 nan 0.000 0.440 41 M N 0.084 119.676 119.600 -0.013 0.000 2.080 41 M HA -0.193 4.603 4.480 0.526 0.000 0.260 41 M C 2.221 178.492 176.300 -0.049 0.000 1.068 41 M CA 1.830 57.119 55.300 -0.018 0.000 1.109 41 M CB -0.319 32.246 32.600 -0.058 0.000 1.342 41 M HN 0.112 nan 8.290 nan 0.000 0.405 42 R N 0.037 120.485 120.500 -0.088 0.000 2.096 42 R HA -0.121 4.535 4.340 0.526 0.000 0.235 42 R C 2.505 178.780 176.300 -0.043 0.000 1.127 42 R CA 1.872 57.909 56.100 -0.106 0.000 0.968 42 R CB -0.535 29.690 30.300 -0.125 0.000 0.861 42 R HN 0.504 nan 8.270 nan 0.000 0.440 43 S N 0.794 116.487 115.700 -0.012 0.000 2.383 43 S HA -0.089 4.696 4.470 0.526 0.000 0.227 43 S C 2.048 176.697 174.600 0.081 0.000 1.026 43 S CA 0.790 59.004 58.200 0.022 0.000 0.981 43 S CB -0.381 62.825 63.200 0.010 0.000 0.818 43 S HN 0.199 nan 8.310 nan 0.000 0.472 44 I N 1.470 122.100 120.570 0.099 0.000 2.179 44 I HA -0.141 4.344 4.170 0.526 0.000 0.242 44 I C 2.529 178.772 176.117 0.210 0.000 1.088 44 I CA 1.105 62.527 61.300 0.204 0.000 1.357 44 I CB -0.546 37.586 38.000 0.220 0.000 1.051 44 I HN 0.201 nan 8.210 nan 0.000 0.409 45 V N 0.929 120.892 119.914 0.081 0.000 2.332 45 V HA -0.320 4.116 4.120 0.526 0.000 0.248 45 V C 2.446 178.551 176.094 0.018 0.000 1.055 45 V CA 1.926 64.224 62.300 -0.002 0.000 1.038 45 V CB -0.686 31.075 31.823 -0.104 0.000 0.651 45 V HN 0.397 nan 8.190 nan 0.000 0.450 46 K N -0.841 119.583 120.400 0.040 0.000 2.057 46 K HA -0.240 4.396 4.320 0.526 0.000 0.207 46 K C 2.241 178.902 176.600 0.103 0.000 1.049 46 K CA 1.931 58.246 56.287 0.046 0.000 0.931 46 K CB -0.332 32.194 32.500 0.043 0.000 0.714 46 K HN 0.541 nan 8.250 nan 0.000 0.440 47 H N -0.040 119.081 119.070 0.086 0.000 2.357 47 H HA -0.063 4.810 4.556 0.529 0.000 0.301 47 H C 1.705 177.142 175.328 0.182 0.000 1.082 47 H CA 1.543 57.675 56.048 0.140 0.000 1.342 47 H CB -0.255 29.616 29.762 0.182 0.000 1.389 47 H HN 0.182 nan 8.280 nan 0.000 0.511 48 F N 0.059 119.916 119.950 -0.155 0.000 2.126 48 F HA -0.212 4.638 4.527 0.537 0.000 0.299 48 F C 2.202 177.742 175.800 -0.434 0.000 1.096 48 F CA 1.174 58.760 58.000 -0.691 0.000 1.255 48 F CB -0.083 38.351 39.000 -0.943 0.000 0.997 48 F HN 0.158 nan 8.300 nan 0.000 0.479 49 I N -0.174 120.372 120.570 -0.041 0.000 2.163 49 I HA -0.369 4.117 4.170 0.526 0.000 0.243 49 I C 2.662 178.741 176.117 -0.064 0.000 1.085 49 I CA 1.552 62.803 61.300 -0.081 0.000 1.347 49 I CB -0.742 37.209 38.000 -0.083 0.000 1.044 49 I HN 0.228 nan 8.210 nan 0.000 0.408 50 S N 0.576 116.233 115.700 -0.072 0.000 2.370 50 S HA -0.218 4.568 4.470 0.526 0.000 0.226 50 S C 1.869 176.410 174.600 -0.098 0.000 1.033 50 S CA 1.248 59.400 58.200 -0.079 0.000 1.011 50 S CB -0.391 62.760 63.200 -0.081 0.000 0.852 50 S HN 0.408 nan 8.310 nan 0.000 0.457 51 E N 1.417 121.527 120.200 -0.150 0.000 2.152 51 E HA 0.089 4.755 4.350 0.526 0.000 0.192 51 E C 2.174 178.773 176.600 -0.002 0.000 0.983 51 E CA 0.664 57.014 56.400 -0.084 0.000 0.818 51 E CB -0.437 29.232 29.700 -0.052 0.000 0.758 51 E HN 0.579 nan 8.360 nan 0.000 0.467 52 L N 1.157 122.390 121.223 0.016 0.000 2.017 52 L HA -0.204 4.452 4.340 0.526 0.000 0.208 52 L C 2.104 178.993 176.870 0.033 0.000 1.073 52 L CA 1.210 56.079 54.840 0.049 0.000 0.745 52 L CB -0.429 41.634 42.059 0.006 0.000 0.894 52 L HN -0.017 nan 8.230 nan 0.000 0.432 53 D N 0.152 120.555 120.400 0.003 0.000 2.123 53 D HA -0.221 4.735 4.640 0.526 0.000 0.196 53 D C 2.105 178.409 176.300 0.007 0.000 0.992 53 D CA 1.254 55.257 54.000 0.005 0.000 0.833 53 D CB -0.095 40.699 40.800 -0.009 0.000 0.954 53 D HN 0.231 nan 8.370 nan 0.000 0.455 54 K N 0.438 120.838 120.400 -0.001 0.000 2.057 54 K HA -0.098 4.537 4.320 0.526 0.000 0.207 54 K C 2.068 178.675 176.600 0.012 0.000 1.049 54 K CA 1.502 57.790 56.287 0.002 0.000 0.931 54 K CB -0.305 32.190 32.500 -0.008 0.000 0.714 54 K HN 0.123 nan 8.250 nan 0.000 0.440 55 G N 0.818 109.632 108.800 0.023 0.000 2.471 55 G HA2 -0.150 4.125 3.960 0.526 0.000 0.219 55 G HA3 -0.150 4.125 3.960 0.526 0.000 0.219 55 G C 1.313 176.226 174.900 0.021 0.000 1.125 55 G CA 0.360 45.478 45.100 0.030 0.000 0.775 55 G HN 0.232 nan 8.290 nan 0.000 0.548 56 L N 1.444 122.679 121.223 0.020 0.000 2.509 56 L HA 0.154 4.809 4.340 0.526 0.000 0.222 56 L C 1.763 178.635 176.870 0.003 0.000 1.123 56 L CA -0.004 54.841 54.840 0.007 0.000 0.856 56 L CB -0.117 41.951 42.059 0.015 0.000 0.985 56 L HN 0.264 nan 8.230 nan 0.000 0.456 57 S N -0.956 114.748 115.700 0.007 0.000 2.614 57 S HA 0.128 4.914 4.470 0.526 0.000 0.265 57 S C 1.041 175.645 174.600 0.007 0.000 1.303 57 S CA -0.635 57.569 58.200 0.006 0.000 1.000 57 S CB 1.321 64.525 63.200 0.006 0.000 0.935 57 S HN 0.072 nan 8.310 nan 0.000 0.551 58 K N 0.830 121.235 120.400 0.007 0.000 2.063 58 K HA -0.098 4.537 4.320 0.526 0.000 0.208 58 K C 2.059 178.664 176.600 0.009 0.000 1.048 58 K CA 1.550 57.842 56.287 0.009 0.000 0.928 58 K CB -0.194 32.312 32.500 0.009 0.000 0.713 58 K HN 0.566 nan 8.250 nan 0.000 0.442 59 K N 0.051 120.456 120.400 0.007 0.000 2.217 59 K HA -0.016 4.620 4.320 0.526 0.000 0.202 59 K C 0.888 177.493 176.600 0.008 0.000 1.051 59 K CA 0.621 56.912 56.287 0.007 0.000 0.952 59 K CB 0.027 32.530 32.500 0.006 0.000 0.736 59 K HN 0.351 nan 8.250 nan 0.000 0.453 60 G N 0.189 108.994 108.800 0.009 0.000 2.855 60 G HA2 -0.093 4.183 3.960 0.526 0.000 0.352 60 G HA3 -0.093 4.183 3.960 0.526 0.000 0.352 60 G C -0.068 174.838 174.900 0.010 0.000 1.415 60 G CA -0.581 44.525 45.100 0.011 0.000 0.871 60 G HN 0.516 nan 8.290 nan 0.000 0.543 61 G N -1.842 106.966 108.800 0.014 0.000 2.706 61 G HA2 0.582 4.857 3.960 0.526 0.000 0.307 61 G HA3 0.582 4.857 3.960 0.526 0.000 0.307 61 G C 0.579 175.489 174.900 0.017 0.000 1.307 61 G CA 0.615 45.722 45.100 0.011 0.000 0.790 61 G HN 0.761 nan 8.290 nan 0.000 0.503 62 N N -0.620 118.088 118.700 0.013 0.000 2.289 62 N HA -0.017 5.038 4.740 0.526 0.000 0.184 62 N C 0.819 176.361 175.510 0.054 0.000 1.016 62 N CA 0.689 53.750 53.050 0.018 0.000 0.872 62 N CB -0.004 38.477 38.487 -0.011 0.000 0.973 62 N HN 0.371 nan 8.380 nan 0.000 0.433 63 I N 1.930 122.544 120.570 0.073 0.000 2.337 63 I HA 0.098 4.584 4.170 0.526 0.000 0.291 63 I C -1.403 174.763 176.117 0.081 0.000 1.046 63 I CA -1.697 59.670 61.300 0.112 0.000 1.324 63 I CB 1.615 39.703 38.000 0.146 0.000 1.409 63 I HN -0.208 nan 8.210 nan 0.000 0.494 64 P HA -0.106 nan 4.420 nan 0.000 0.216 64 P C 0.411 177.727 177.300 0.027 0.000 1.150 64 P CA 0.968 64.093 63.100 0.041 0.000 0.837 64 P CB 0.083 31.803 31.700 0.034 0.000 0.786 65 M N -2.059 117.563 119.600 0.036 0.000 2.573 65 M HA -0.175 4.620 4.480 0.526 0.000 0.184 65 M C -0.622 175.648 176.300 -0.049 0.000 0.953 65 M CA 0.667 55.977 55.300 0.016 0.000 0.592 65 M CB -2.607 30.017 32.600 0.039 0.000 1.151 65 M HN 0.033 nan 8.290 nan 0.000 0.850 66 I N 2.490 123.016 120.570 -0.073 0.000 2.352 66 I HA 0.212 4.697 4.170 0.526 0.000 0.290 66 I C -1.588 174.401 176.117 -0.214 0.000 1.036 66 I CA -1.762 59.476 61.300 -0.103 0.000 1.336 66 I CB 0.997 38.958 38.000 -0.065 0.000 1.407 66 I HN 0.131 nan 8.210 nan 0.000 0.497 67 P HA 0.017 nan 4.420 nan 0.000 0.264 67 P C 0.742 177.645 177.300 -0.662 0.000 1.193 67 P CA 0.174 62.905 63.100 -0.616 0.000 0.763 67 P CB 0.743 31.871 31.700 -0.953 0.000 0.810 68 G N 1.664 110.127 108.800 -0.561 0.000 3.088 68 G HA2 -0.005 4.271 3.960 0.526 0.000 0.217 68 G HA3 -0.005 4.271 3.960 0.526 0.000 0.217 68 G C -0.213 174.596 174.900 -0.151 0.000 1.159 68 G CA -0.344 44.574 45.100 -0.305 0.000 0.760 68 G HN 0.626 nan 8.290 nan 0.000 0.550 69 W N -1.258 119.987 121.300 -0.091 0.000 4.141 69 W HA -0.202 4.786 4.660 0.547 0.000 0.336 69 W C -0.327 176.156 176.519 -0.061 0.000 1.258 69 W CA -0.380 56.925 57.345 -0.067 0.000 0.747 69 W CB -2.183 27.243 29.460 -0.057 0.000 2.338 69 W HN 0.049 nan 8.180 nan 0.000 1.410 70 V N 1.581 121.505 119.914 0.018 0.000 2.328 70 V HA 0.360 4.795 4.120 0.526 0.000 0.278 70 V C 0.745 176.875 176.094 0.060 0.000 1.021 70 V CA -0.062 62.259 62.300 0.035 0.000 0.838 70 V CB 1.277 33.086 31.823 -0.022 0.000 0.999 70 V HN 0.056 nan 8.190 nan 0.000 0.447 71 V N 1.050 121.006 119.914 0.070 0.000 3.176 71 V HA 0.548 4.984 4.120 0.526 0.000 0.332 71 V C 0.214 176.261 176.094 -0.078 0.000 1.414 71 V CA 0.084 62.395 62.300 0.019 0.000 1.133 71 V CB -0.368 31.476 31.823 0.036 0.000 1.088 71 V HN 0.808 nan 8.190 nan 0.000 0.473 72 E N -0.251 119.907 120.200 -0.070 0.000 2.408 72 E HA 0.579 5.245 4.350 0.526 0.000 0.275 72 E C -1.806 174.656 176.600 -0.231 0.000 0.935 72 E CA -0.881 55.380 56.400 -0.232 0.000 0.775 72 E CB 2.242 31.884 29.700 -0.095 0.000 1.277 72 E HN 0.309 nan 8.360 nan 0.000 0.455 73 Y N 0.888 121.099 120.300 -0.148 0.000 2.301 73 Y HA 0.284 5.110 4.550 0.461 0.000 0.325 73 Y C -1.896 173.993 175.900 -0.018 0.000 1.203 73 Y CA -2.680 55.314 58.100 -0.176 0.000 1.255 73 Y CB -0.118 38.175 38.460 -0.278 0.000 1.232 73 Y HN 0.251 nan 8.280 nan 0.000 0.501 74 P HA 0.045 nan 4.420 nan 0.000 0.271 74 P C 0.602 177.999 177.300 0.161 0.000 1.216 74 P CA -0.117 63.102 63.100 0.199 0.000 0.776 74 P CB 1.038 32.916 31.700 0.298 0.000 0.881 75 T N -1.713 112.909 114.554 0.112 0.000 3.054 75 T HA 0.201 4.866 4.350 0.526 0.000 0.259 75 T C 1.387 176.031 174.700 -0.093 0.000 1.092 75 T CA 0.882 63.006 62.100 0.040 0.000 1.121 75 T CB -0.764 68.117 68.868 0.021 0.000 0.912 75 T HN 0.642 nan 8.240 nan 0.000 0.489 76 G N 1.481 110.178 108.800 -0.171 0.000 2.195 76 G HA2 -0.227 4.049 3.960 0.526 0.000 0.246 76 G HA3 -0.227 4.049 3.960 0.526 0.000 0.246 76 G C 0.890 175.497 174.900 -0.489 0.000 0.984 76 G CA 0.287 44.915 45.100 -0.787 0.000 0.633 76 G HN 0.477 nan 8.290 nan 0.000 0.525 77 K N 0.650 120.959 120.400 -0.152 0.000 2.374 77 K HA 0.256 4.892 4.320 0.526 0.000 0.196 77 K C 0.755 177.403 176.600 0.080 0.000 1.023 77 K CA 0.113 56.371 56.287 -0.049 0.000 1.103 77 K CB 0.351 32.828 32.500 -0.040 0.000 0.848 77 K HN 0.573 nan 8.250 nan 0.000 0.528 78 E N 1.434 121.744 120.200 0.183 0.000 2.413 78 E HA 0.046 4.712 4.350 0.526 0.000 0.263 78 E C 0.284 177.009 176.600 0.208 0.000 1.015 78 E CA 0.297 56.803 56.400 0.175 0.000 0.916 78 E CB 0.607 30.377 29.700 0.117 0.000 0.947 78 E HN 0.181 nan 8.360 nan 0.000 0.440 79 T N -0.751 113.923 114.554 0.201 0.000 2.883 79 T HA 0.850 5.515 4.350 0.526 0.000 0.296 79 T C 0.199 175.076 174.700 0.295 0.000 1.117 79 T CA -0.399 61.829 62.100 0.214 0.000 1.006 79 T CB 1.962 70.915 68.868 0.142 0.000 1.191 79 T HN 0.809 nan 8.240 nan 0.000 0.508 80 G N 0.808 109.739 108.800 0.219 0.000 2.371 80 G HA2 0.288 4.564 3.960 0.526 0.000 0.663 80 G HA3 0.288 4.564 3.960 0.526 0.000 0.663 80 G C -2.182 172.630 174.900 -0.147 0.000 1.311 80 G CA -0.868 44.245 45.100 0.021 0.000 0.985 80 G HN 0.875 nan 8.290 nan 0.000 0.566 81 D N 0.052 120.120 120.400 -0.553 0.000 2.256 81 D HA 0.740 5.695 4.640 0.526 0.000 0.240 81 D C -0.536 175.235 176.300 -0.882 0.000 1.062 81 D CA 0.323 54.078 54.000 -0.408 0.000 0.832 81 D CB 1.132 41.855 40.800 -0.129 0.000 1.135 81 D HN 0.305 nan 8.370 nan 0.000 0.484 82 F N 0.611 120.571 119.950 0.018 0.000 2.588 82 F HA 0.453 5.302 4.527 0.535 0.000 0.310 82 F C -0.168 175.630 175.800 -0.003 0.000 1.082 82 F CA -0.955 57.038 58.000 -0.011 0.000 0.929 82 F CB 1.436 40.406 39.000 -0.052 0.000 1.254 82 F HN -0.041 nan 8.300 nan 0.000 0.455 83 L N 2.147 123.464 121.223 0.157 0.000 2.334 83 L HA 0.925 5.581 4.340 0.526 0.000 0.272 83 L C -0.334 176.560 176.870 0.039 0.000 1.020 83 L CA -0.960 53.921 54.840 0.067 0.000 0.812 83 L CB 1.841 43.916 42.059 0.028 0.000 1.264 83 L HN 0.790 nan 8.230 nan 0.000 0.439 84 A N 2.305 125.114 122.820 -0.018 0.000 2.435 84 A HA 0.824 5.460 4.320 0.526 0.000 0.304 84 A C -1.614 175.953 177.584 -0.029 0.000 1.064 84 A CA -0.450 51.587 52.037 0.000 0.000 0.727 84 A CB 1.924 20.926 19.000 0.002 0.000 1.284 84 A HN 0.499 nan 8.150 nan 0.000 0.415 85 L N 1.150 122.399 121.223 0.044 0.000 2.386 85 L HA 0.793 5.448 4.340 0.526 0.000 0.271 85 L C -1.515 175.510 176.870 0.259 0.000 0.993 85 L CA -0.136 54.733 54.840 0.050 0.000 0.819 85 L CB 2.072 44.043 42.059 -0.148 0.000 1.294 85 L HN 0.700 nan 8.230 nan 0.000 0.414 86 D N 3.798 124.340 120.400 0.238 0.000 2.696 86 D HA 0.292 5.248 4.640 0.526 0.000 0.251 86 D C -1.604 174.898 176.300 0.336 0.000 1.188 86 D CA -0.300 53.886 54.000 0.310 0.000 0.876 86 D CB 1.799 42.705 40.800 0.177 0.000 1.334 86 D HN 0.492 nan 8.370 nan 0.000 0.540 87 L N 4.454 125.960 121.223 0.471 0.000 2.282 87 L HA 0.676 5.332 4.340 0.526 0.000 0.287 87 L C 0.420 177.491 176.870 0.335 0.000 1.075 87 L CA -0.049 55.058 54.840 0.445 0.000 0.839 87 L CB 0.626 43.055 42.059 0.617 0.000 1.219 87 L HN 0.432 nan 8.230 nan 0.000 0.434 88 G N 2.546 111.512 108.800 0.277 0.000 2.557 88 G HA2 0.403 4.678 3.960 0.526 0.000 0.292 88 G HA3 0.403 4.678 3.960 0.526 0.000 0.292 88 G C 0.745 175.862 174.900 0.361 0.000 1.237 88 G CA -0.186 45.055 45.100 0.235 0.000 0.978 88 G HN 0.764 nan 8.290 nan 0.000 0.498 89 G N -1.749 107.244 108.800 0.321 0.000 2.464 89 G HA2 0.061 4.337 3.960 0.526 0.000 0.217 89 G HA3 0.061 4.337 3.960 0.526 0.000 0.217 89 G C 1.299 176.281 174.900 0.137 0.000 1.138 89 G CA 1.647 46.966 45.100 0.365 0.000 0.793 89 G HN 0.578 nan 8.290 nan 0.000 0.539 90 T N -0.178 114.444 114.554 0.113 0.000 3.056 90 T HA 0.189 4.855 4.350 0.526 0.000 0.243 90 T C 0.518 175.267 174.700 0.081 0.000 0.995 90 T CA -0.039 62.091 62.100 0.050 0.000 1.091 90 T CB 0.341 69.232 68.868 0.039 0.000 0.990 90 T HN 0.091 nan 8.240 nan 0.000 0.464 91 N N 0.908 119.689 118.700 0.135 0.000 2.262 91 N HA 0.511 5.566 4.740 0.526 0.000 0.295 91 N C -1.789 173.861 175.510 0.233 0.000 1.161 91 N CA -0.592 52.564 53.050 0.176 0.000 0.767 91 N CB 2.755 41.325 38.487 0.138 0.000 1.499 91 N HN 0.055 nan 8.380 nan 0.000 0.476 92 L N 1.174 122.581 121.223 0.305 0.000 2.289 92 L HA 0.435 5.090 4.340 0.526 0.000 0.285 92 L C 0.171 177.203 176.870 0.269 0.000 1.049 92 L CA -0.307 54.718 54.840 0.309 0.000 0.804 92 L CB 0.621 42.899 42.059 0.365 0.000 1.195 92 L HN 0.477 nan 8.230 nan 0.000 0.428 93 R N 3.983 124.599 120.500 0.192 0.000 2.338 93 R HA 0.710 5.366 4.340 0.526 0.000 0.317 93 R C -1.739 174.600 176.300 0.065 0.000 0.968 93 R CA -0.619 55.558 56.100 0.129 0.000 0.849 93 R CB 1.359 31.714 30.300 0.092 0.000 1.128 93 R HN 0.550 nan 8.270 nan 0.000 0.448 94 V N 5.278 125.189 119.914 -0.006 0.000 2.495 94 V HA 0.456 4.892 4.120 0.526 0.000 0.298 94 V C -0.590 175.253 176.094 -0.418 0.000 1.031 94 V CA -0.728 61.401 62.300 -0.284 0.000 0.871 94 V CB 1.827 33.357 31.823 -0.488 0.000 0.988 94 V HN 0.515 nan 8.190 nan 0.000 0.432 95 V N 5.650 125.358 119.914 -0.344 0.000 2.588 95 V HA 0.500 4.935 4.120 0.526 0.000 0.304 95 V C -0.642 175.392 176.094 -0.101 0.000 1.042 95 V CA -0.667 61.539 62.300 -0.157 0.000 0.877 95 V CB 1.927 33.715 31.823 -0.057 0.000 0.996 95 V HN 0.681 nan 8.190 nan 0.000 0.425 96 L N 6.163 127.437 121.223 0.085 0.000 2.282 96 L HA 0.748 5.404 4.340 0.526 0.000 0.288 96 L C -0.583 176.315 176.870 0.047 0.000 1.033 96 L CA 0.100 55.019 54.840 0.132 0.000 0.807 96 L CB 1.639 43.811 42.059 0.188 0.000 1.209 96 L HN 0.461 nan 8.230 nan 0.000 0.423 97 V N 5.235 125.189 119.914 0.067 0.000 2.444 97 V HA 0.451 4.887 4.120 0.526 0.000 0.294 97 V C -0.329 175.842 176.094 0.128 0.000 1.022 97 V CA -0.804 61.534 62.300 0.063 0.000 0.850 97 V CB 1.553 33.349 31.823 -0.045 0.000 0.992 97 V HN 0.654 nan 8.190 nan 0.000 0.426 98 K N 5.697 126.181 120.400 0.141 0.000 2.292 98 K HA 0.562 5.197 4.320 0.526 0.000 0.270 98 K C -0.880 175.847 176.600 0.211 0.000 1.062 98 K CA -0.367 56.008 56.287 0.148 0.000 0.916 98 K CB 1.303 33.862 32.500 0.098 0.000 1.166 98 K HN 0.538 nan 8.250 nan 0.000 0.458 99 L N 1.774 123.133 121.223 0.227 0.000 2.367 99 L HA 0.156 4.811 4.340 0.526 0.000 0.275 99 L C 1.423 178.438 176.870 0.241 0.000 1.129 99 L CA -0.063 54.916 54.840 0.231 0.000 0.839 99 L CB 0.917 43.056 42.059 0.134 0.000 1.133 99 L HN 0.887 nan 8.230 nan 0.000 0.453 100 G N 0.888 109.854 108.800 0.277 0.000 3.088 100 G HA2 0.277 4.553 3.960 0.526 0.000 0.217 100 G HA3 0.277 4.553 3.960 0.526 0.000 0.217 100 G C 1.065 176.061 174.900 0.159 0.000 1.159 100 G CA 0.403 45.616 45.100 0.188 0.000 0.760 100 G HN 0.977 nan 8.290 nan 0.000 0.550 101 G N 0.015 108.940 108.800 0.208 0.000 2.162 101 G HA2 -0.300 3.976 3.960 0.526 0.000 0.260 101 G HA3 -0.300 3.976 3.960 0.526 0.000 0.260 101 G C 0.300 175.194 174.900 -0.009 0.000 0.976 101 G CA 0.485 45.650 45.100 0.107 0.000 0.655 101 G HN 0.683 nan 8.290 nan 0.000 0.533 102 N N 0.057 118.748 118.700 -0.015 0.000 2.664 102 N HA 0.295 5.351 4.740 0.526 0.000 0.287 102 N C 0.715 176.181 175.510 -0.073 0.000 1.869 102 N CA -0.220 52.776 53.050 -0.089 0.000 0.832 102 N CB -0.215 38.277 38.487 0.008 0.000 1.293 102 N HN 0.326 nan 8.380 nan 0.000 0.498 103 H N -0.822 118.080 119.070 -0.279 0.000 2.899 103 H HA -0.181 4.688 4.556 0.521 0.000 0.282 103 H C -0.905 174.353 175.328 -0.118 0.000 1.198 103 H CA 1.662 57.403 56.048 -0.513 0.000 1.140 103 H CB -1.476 28.111 29.762 -0.291 0.000 1.317 103 H HN 0.703 nan 8.280 nan 0.000 0.375 104 D N -0.264 120.269 120.400 0.221 0.000 2.523 104 D HA 0.640 5.595 4.640 0.526 0.000 0.236 104 D C 0.144 176.701 176.300 0.428 0.000 1.094 104 D CA -0.866 53.270 54.000 0.227 0.000 0.942 104 D CB 1.663 42.505 40.800 0.070 0.000 1.447 104 D HN 0.074 nan 8.370 nan 0.000 0.479 105 F N -2.247 117.826 119.950 0.206 0.000 2.713 105 F HA 0.622 5.464 4.527 0.525 0.000 0.311 105 F C -1.822 174.028 175.800 0.084 0.000 1.141 105 F CA -1.003 57.081 58.000 0.140 0.000 0.939 105 F CB 1.424 40.489 39.000 0.108 0.000 1.325 105 F HN 0.036 nan 8.300 nan 0.000 0.453 106 D N 0.485 121.058 120.400 0.288 0.000 2.340 106 D HA 0.588 5.544 4.640 0.526 0.000 0.240 106 D C -1.124 175.333 176.300 0.261 0.000 1.001 106 D CA -0.180 53.924 54.000 0.174 0.000 0.888 106 D CB 2.336 43.179 40.800 0.071 0.000 1.310 106 D HN 0.744 nan 8.370 nan 0.000 0.474 107 T N -0.393 114.267 114.554 0.177 0.000 2.923 107 T HA 0.562 5.227 4.350 0.526 0.000 0.311 107 T C -1.301 173.398 174.700 -0.001 0.000 1.183 107 T CA -0.342 61.831 62.100 0.121 0.000 1.020 107 T CB 1.837 70.840 68.868 0.225 0.000 1.165 107 T HN 0.290 nan 8.240 nan 0.000 0.482 108 T N 2.106 116.613 114.554 -0.077 0.000 2.883 108 T HA 0.741 5.406 4.350 0.526 0.000 0.301 108 T C -2.001 172.733 174.700 0.057 0.000 1.158 108 T CA -0.530 61.514 62.100 -0.094 0.000 1.007 108 T CB 1.683 70.304 68.868 -0.413 0.000 1.186 108 T HN 0.866 nan 8.240 nan 0.000 0.499 109 Q N 1.864 121.759 119.800 0.157 0.000 2.482 109 Q HA 0.568 5.223 4.340 0.526 0.000 0.286 109 Q C -1.679 174.490 176.000 0.281 0.000 1.007 109 Q CA -1.115 54.821 55.803 0.221 0.000 0.801 109 Q CB 1.765 30.559 28.738 0.093 0.000 1.455 109 Q HN 0.649 nan 8.270 nan 0.000 0.398 110 N N 0.261 119.117 118.700 0.261 0.000 2.238 110 N HA 0.392 5.447 4.740 0.526 0.000 0.302 110 N C -1.642 173.803 175.510 -0.109 0.000 1.072 110 N CA -0.889 52.198 53.050 0.061 0.000 0.792 110 N CB 2.192 40.733 38.487 0.090 0.000 1.425 110 N HN 0.324 nan 8.380 nan 0.000 0.478 111 K N 1.971 122.255 120.400 -0.193 0.000 2.206 111 K HA 0.358 4.993 4.320 0.526 0.000 0.264 111 K C -1.433 175.015 176.600 -0.253 0.000 0.967 111 K CA -0.455 55.769 56.287 -0.106 0.000 0.844 111 K CB 1.256 33.753 32.500 -0.004 0.000 1.099 111 K HN 0.427 nan 8.250 nan 0.000 0.441 112 Y N 1.397 121.780 120.300 0.139 0.000 2.328 112 Y HA 0.269 5.134 4.550 0.525 0.000 0.333 112 Y C 0.350 176.389 175.900 0.232 0.000 0.958 112 Y CA -0.921 57.287 58.100 0.180 0.000 1.167 112 Y CB 1.324 39.877 38.460 0.154 0.000 1.151 112 Y HN 0.404 nan 8.280 nan 0.000 0.470 113 R N 4.108 124.784 120.500 0.294 0.000 2.489 113 R HA 0.226 4.882 4.340 0.526 0.000 0.287 113 R C -0.751 175.651 176.300 0.170 0.000 1.053 113 R CA -0.270 55.941 56.100 0.186 0.000 1.036 113 R CB 0.331 30.693 30.300 0.103 0.000 0.966 113 R HN 0.763 nan 8.270 nan 0.000 0.432 114 L N 7.352 128.584 121.223 0.015 0.000 2.455 114 L HA 0.176 4.832 4.340 0.526 0.000 0.272 114 L C -1.761 174.892 176.870 -0.361 0.000 1.174 114 L CA -1.804 52.844 54.840 -0.319 0.000 0.869 114 L CB 0.513 42.413 42.059 -0.266 0.000 1.130 114 L HN 0.520 nan 8.230 nan 0.000 0.474 115 P HA 0.007 nan 4.420 nan 0.000 0.267 115 P C -0.062 176.990 177.300 -0.413 0.000 1.200 115 P CA -0.211 62.658 63.100 -0.384 0.000 0.772 115 P CB 0.557 31.991 31.700 -0.445 0.000 0.855 116 D N 0.467 120.745 120.400 -0.204 0.000 2.158 116 D HA -0.214 4.741 4.640 0.526 0.000 0.197 116 D C 1.619 177.788 176.300 -0.219 0.000 0.995 116 D CA 1.621 55.519 54.000 -0.171 0.000 0.846 116 D CB -0.666 40.092 40.800 -0.069 0.000 0.941 116 D HN 0.637 nan 8.370 nan 0.000 0.456 117 H N -0.224 118.733 119.070 -0.189 0.000 2.529 117 H HA 0.068 4.940 4.556 0.527 0.000 0.277 117 H C 2.062 177.247 175.328 -0.239 0.000 0.999 117 H CA 0.195 56.131 56.048 -0.186 0.000 1.256 117 H CB -0.486 29.192 29.762 -0.140 0.000 1.402 117 H HN 0.109 nan 8.280 nan 0.000 0.566 118 L N 1.578 122.325 121.223 -0.794 0.000 2.141 118 L HA -0.072 4.583 4.340 0.526 0.000 0.209 118 L C 2.711 179.288 176.870 -0.489 0.000 1.094 118 L CA 1.182 55.625 54.840 -0.662 0.000 0.763 118 L CB -0.366 41.250 42.059 -0.738 0.000 0.908 118 L HN 0.082 nan 8.230 nan 0.000 0.437 119 R N -1.317 118.819 120.500 -0.608 0.000 2.193 119 R HA -0.068 4.588 4.340 0.526 0.000 0.229 119 R C 1.024 176.968 176.300 -0.593 0.000 1.110 119 R CA 1.553 57.114 56.100 -0.897 0.000 0.988 119 R CB -0.429 29.230 30.300 -1.068 0.000 0.871 119 R HN 0.540 nan 8.270 nan 0.000 0.458 120 T N -3.576 110.756 114.554 -0.371 0.000 3.252 120 T HA 0.306 4.971 4.350 0.526 0.000 0.286 120 T C 0.641 175.254 174.700 -0.144 0.000 1.013 120 T CA -0.324 61.634 62.100 -0.238 0.000 0.914 120 T CB 1.113 69.874 68.868 -0.177 0.000 1.131 120 T HN 0.161 nan 8.240 nan 0.000 0.529 121 G N 1.698 110.410 108.800 -0.147 0.000 2.714 121 G HA2 0.578 4.853 3.960 0.526 0.000 0.197 121 G HA3 0.578 4.853 3.960 0.526 0.000 0.197 121 G C 0.006 174.878 174.900 -0.046 0.000 1.449 121 G CA -0.091 44.978 45.100 -0.051 0.000 1.065 121 G HN 0.566 nan 8.290 nan 0.000 0.575 122 T N -3.468 111.079 114.554 -0.013 0.000 2.952 122 T HA 0.447 5.112 4.350 0.526 0.000 0.286 122 T C 1.444 176.149 174.700 0.009 0.000 1.024 122 T CA 0.514 62.624 62.100 0.017 0.000 1.029 122 T CB 1.520 70.411 68.868 0.038 0.000 1.094 122 T HN 0.425 nan 8.240 nan 0.000 0.515 123 S N -0.258 115.489 115.700 0.078 0.000 2.359 123 S HA -0.210 4.575 4.470 0.526 0.000 0.224 123 S C 1.850 176.530 174.600 0.133 0.000 1.035 123 S CA 2.119 60.398 58.200 0.133 0.000 1.018 123 S CB -0.787 62.585 63.200 0.288 0.000 0.876 123 S HN 0.885 nan 8.310 nan 0.000 0.448 124 E N 0.114 120.409 120.200 0.158 0.000 2.097 124 E HA -0.242 4.424 4.350 0.526 0.000 0.196 124 E C 2.265 178.931 176.600 0.110 0.000 1.000 124 E CA 1.567 58.065 56.400 0.163 0.000 0.804 124 E CB -0.212 29.555 29.700 0.111 0.000 0.740 124 E HN 0.669 nan 8.360 nan 0.000 0.454 125 Q N -0.086 119.747 119.800 0.056 0.000 2.084 125 Q HA -0.173 4.483 4.340 0.526 0.000 0.202 125 Q C 2.347 178.352 176.000 0.008 0.000 0.978 125 Q CA 1.244 57.079 55.803 0.055 0.000 0.844 125 Q CB -0.140 28.634 28.738 0.059 0.000 0.898 125 Q HN 0.292 nan 8.270 nan 0.000 0.426 126 L N -0.280 120.853 121.223 -0.150 0.000 1.994 126 L HA -0.151 4.505 4.340 0.526 0.000 0.208 126 L C 1.670 178.413 176.870 -0.211 0.000 1.071 126 L CA 1.894 56.548 54.840 -0.310 0.000 0.745 126 L CB -0.597 41.052 42.059 -0.683 0.000 0.892 126 L HN 0.273 nan 8.230 nan 0.000 0.431 127 W N -1.142 120.242 121.300 0.140 0.000 2.436 127 W HA -0.062 4.912 4.660 0.524 0.000 0.284 127 W C 2.988 179.543 176.519 0.060 0.000 1.225 127 W CA 0.837 58.236 57.345 0.090 0.000 1.271 127 W CB -0.741 28.755 29.460 0.059 0.000 1.114 127 W HN 0.253 nan 8.180 nan 0.000 0.559 128 S N 0.499 116.340 115.700 0.236 0.000 2.368 128 S HA -0.243 4.542 4.470 0.526 0.000 0.224 128 S C 1.800 176.474 174.600 0.123 0.000 1.029 128 S CA 1.383 59.675 58.200 0.153 0.000 0.988 128 S CB -0.665 62.613 63.200 0.130 0.000 0.838 128 S HN 0.261 nan 8.310 nan 0.000 0.462 129 F N 2.140 122.096 119.950 0.011 0.000 2.069 129 F HA -0.046 4.796 4.527 0.525 0.000 0.298 129 F C 1.863 177.641 175.800 -0.037 0.000 1.113 129 F CA 1.804 59.792 58.000 -0.020 0.000 1.214 129 F CB -0.480 38.492 39.000 -0.047 0.000 0.978 129 F HN 0.237 nan 8.300 nan 0.000 0.474 130 I N 0.308 120.860 120.570 -0.030 0.000 2.226 130 I HA -0.305 4.181 4.170 0.526 0.000 0.245 130 I C 2.711 178.710 176.117 -0.196 0.000 1.100 130 I CA 1.209 62.424 61.300 -0.142 0.000 1.374 130 I CB -1.019 37.032 38.000 0.084 0.000 1.057 130 I HN 0.276 nan 8.210 nan 0.000 0.413 131 A N 0.817 123.595 122.820 -0.070 0.000 1.902 131 A HA -0.223 4.412 4.320 0.526 0.000 0.217 131 A C 2.321 179.824 177.584 -0.135 0.000 1.181 131 A CA 1.605 53.598 52.037 -0.073 0.000 0.623 131 A CB -0.449 18.549 19.000 -0.003 0.000 0.818 131 A HN 0.321 nan 8.150 nan 0.000 0.443 132 K N -0.724 119.569 120.400 -0.178 0.000 2.097 132 K HA -0.156 4.480 4.320 0.526 0.000 0.206 132 K C 2.075 178.483 176.600 -0.319 0.000 1.049 132 K CA 1.492 57.659 56.287 -0.201 0.000 0.933 132 K CB -0.466 31.934 32.500 -0.166 0.000 0.717 132 K HN 0.609 nan 8.250 nan 0.000 0.442 133 C N 0.925 119.883 119.300 -0.569 0.000 2.446 133 C HA -0.043 4.733 4.460 0.526 0.000 0.277 133 C C 2.545 177.267 174.990 -0.447 0.000 1.275 133 C CA 0.376 58.901 59.018 -0.822 0.000 1.727 133 C CB -0.845 26.117 27.740 -1.296 0.000 2.010 133 C HN 0.405 nan 8.230 nan 0.000 0.486 134 L N 1.032 122.092 121.223 -0.271 0.000 2.046 134 L HA -0.200 4.455 4.340 0.526 0.000 0.208 134 L C 2.697 179.594 176.870 0.046 0.000 1.077 134 L CA 1.742 56.539 54.840 -0.070 0.000 0.747 134 L CB -0.673 41.338 42.059 -0.081 0.000 0.896 134 L HN 0.403 nan 8.230 nan 0.000 0.432 135 K N 0.424 120.813 120.400 -0.019 0.000 2.026 135 K HA -0.219 4.416 4.320 0.526 0.000 0.208 135 K C 1.943 178.578 176.600 0.057 0.000 1.048 135 K CA 1.605 57.905 56.287 0.021 0.000 0.929 135 K CB -0.011 32.480 32.500 -0.014 0.000 0.713 135 K HN 0.318 nan 8.250 nan 0.000 0.439 136 E N -0.401 119.815 120.200 0.026 0.000 2.077 136 E HA -0.209 4.456 4.350 0.526 0.000 0.193 136 E C 1.870 178.579 176.600 0.182 0.000 0.989 136 E CA 1.336 57.782 56.400 0.077 0.000 0.800 136 E CB -0.184 29.557 29.700 0.068 0.000 0.746 136 E HN 0.328 nan 8.360 nan 0.000 0.452 137 F N 0.994 121.023 119.950 0.131 0.000 2.113 137 F HA -0.197 4.646 4.527 0.527 0.000 0.297 137 F C 2.174 178.157 175.800 0.305 0.000 1.103 137 F CA 1.056 59.226 58.000 0.283 0.000 1.248 137 F CB -0.144 39.033 39.000 0.294 0.000 0.999 137 F HN -0.213 nan 8.300 nan 0.000 0.475 138 V N 0.341 120.495 119.914 0.400 0.000 2.407 138 V HA -0.278 4.157 4.120 0.526 0.000 0.248 138 V C 1.811 178.041 176.094 0.227 0.000 1.055 138 V CA 2.136 64.651 62.300 0.360 0.000 1.049 138 V CB -0.695 31.287 31.823 0.265 0.000 0.662 138 V HN 0.293 nan 8.190 nan 0.000 0.455 139 D N -0.545 119.922 120.400 0.113 0.000 2.224 139 D HA -0.133 4.822 4.640 0.526 0.000 0.205 139 D C 2.111 178.375 176.300 -0.061 0.000 0.965 139 D CA 0.945 54.969 54.000 0.039 0.000 0.852 139 D CB -0.011 40.801 40.800 0.019 0.000 0.947 139 D HN 0.591 nan 8.370 nan 0.000 0.494 140 E N -0.677 119.433 120.200 -0.150 0.000 2.047 140 E HA -0.138 4.527 4.350 0.526 0.000 0.191 140 E C 1.408 177.638 176.600 -0.617 0.000 0.987 140 E CA 0.834 56.977 56.400 -0.428 0.000 0.799 140 E CB 0.001 29.352 29.700 -0.582 0.000 0.752 140 E HN 0.320 nan 8.360 nan 0.000 0.449 141 W N -1.177 119.930 121.300 -0.322 0.000 2.942 141 W HA 0.102 5.079 4.660 0.529 0.000 0.263 141 W C 0.088 176.209 176.519 -0.663 0.000 1.296 141 W CA -0.215 56.824 57.345 -0.511 0.000 1.504 141 W CB 0.540 29.598 29.460 -0.670 0.000 1.096 141 W HN 0.038 nan 8.180 nan 0.000 0.639 142 Y N 0.338 120.675 120.300 0.061 0.000 2.470 142 Y HA 0.252 5.117 4.550 0.525 0.000 0.352 142 Y C -1.690 174.208 175.900 -0.003 0.000 0.967 142 Y CA -2.396 55.728 58.100 0.041 0.000 1.121 142 Y CB 0.013 38.506 38.460 0.055 0.000 1.149 142 Y HN -0.187 nan 8.280 nan 0.000 0.641 143 P HA -0.126 nan 4.420 nan 0.000 0.220 143 P C 0.338 177.658 177.300 0.032 0.000 1.148 143 P CA 1.527 64.632 63.100 0.008 0.000 0.803 143 P CB 0.528 32.197 31.700 -0.052 0.000 0.782 144 D N -0.518 119.914 120.400 0.054 0.000 2.342 144 D HA 0.252 5.207 4.640 0.526 0.000 0.221 144 D C 1.331 177.669 176.300 0.064 0.000 1.101 144 D CA 0.581 54.609 54.000 0.048 0.000 0.837 144 D CB 0.317 41.141 40.800 0.039 0.000 0.938 144 D HN 0.153 nan 8.370 nan 0.000 0.508 145 G N 0.582 109.438 108.800 0.094 0.000 2.725 145 G HA2 -0.146 4.130 3.960 0.526 0.000 0.220 145 G HA3 -0.146 4.130 3.960 0.526 0.000 0.220 145 G C -0.246 174.689 174.900 0.059 0.000 1.357 145 G CA -0.362 44.775 45.100 0.063 0.000 0.866 145 G HN 0.469 nan 8.290 nan 0.000 0.548 146 V N -3.143 116.743 119.914 -0.047 0.000 2.864 146 V HA 0.867 5.303 4.120 0.526 0.000 0.314 146 V C 1.422 177.469 176.094 -0.077 0.000 1.073 146 V CA 0.756 62.978 62.300 -0.130 0.000 0.956 146 V CB 1.347 32.962 31.823 -0.347 0.000 1.023 146 V HN 2.336 nan 8.190 nan 0.000 0.435 147 S N 0.944 116.604 115.700 -0.067 0.000 2.428 147 S HA 0.037 4.823 4.470 0.526 0.000 0.230 147 S C 0.452 175.016 174.600 -0.061 0.000 1.014 147 S CA 0.864 59.038 58.200 -0.044 0.000 0.957 147 S CB -0.603 62.582 63.200 -0.025 0.000 0.784 147 S HN 1.205 nan 8.310 nan 0.000 0.499 148 E N -0.203 119.939 120.200 -0.096 0.000 2.423 148 E HA 0.551 5.216 4.350 0.526 0.000 0.280 148 E C -3.473 173.050 176.600 -0.128 0.000 1.030 148 E CA -2.639 53.706 56.400 -0.091 0.000 0.812 148 E CB 0.393 30.049 29.700 -0.073 0.000 1.313 148 E HN -0.040 nan 8.360 nan 0.000 0.456 149 P HA 0.112 nan 4.420 nan 0.000 0.269 149 P C -0.696 176.525 177.300 -0.133 0.000 1.209 149 P CA -0.121 62.914 63.100 -0.109 0.000 0.776 149 P CB 0.382 32.042 31.700 -0.068 0.000 0.876 150 L N 5.444 126.577 121.223 -0.150 0.000 2.315 150 L HA 0.285 4.940 4.340 0.526 0.000 0.283 150 L C -2.042 174.796 176.870 -0.053 0.000 1.089 150 L CA -1.778 52.971 54.840 -0.151 0.000 0.833 150 L CB 0.371 42.340 42.059 -0.150 0.000 1.170 150 L HN 0.210 nan 8.230 nan 0.000 0.442 151 P HA 0.202 nan 4.420 nan 0.000 0.275 151 P C -0.999 176.375 177.300 0.124 0.000 1.227 151 P CA -0.258 62.906 63.100 0.106 0.000 0.781 151 P CB 0.958 32.811 31.700 0.256 0.000 0.906 152 L N 2.552 123.819 121.223 0.073 0.000 2.362 152 L HA 0.792 5.447 4.340 0.526 0.000 0.275 152 L C -0.099 176.812 176.870 0.068 0.000 0.998 152 L CA -0.415 54.459 54.840 0.056 0.000 0.820 152 L CB 1.596 43.656 42.059 0.001 0.000 1.270 152 L HN 0.449 nan 8.230 nan 0.000 0.415 153 G N 3.148 111.995 108.800 0.079 0.000 2.379 153 G HA2 0.473 4.749 3.960 0.526 0.000 0.327 153 G HA3 0.473 4.749 3.960 0.526 0.000 0.327 153 G C -1.657 173.361 174.900 0.196 0.000 1.145 153 G CA -0.288 44.876 45.100 0.107 0.000 0.905 153 G HN 0.386 nan 8.290 nan 0.000 0.466 154 F N 2.526 122.499 119.950 0.037 0.000 2.403 154 F HA 0.489 5.331 4.527 0.526 0.000 0.355 154 F C 0.217 176.090 175.800 0.122 0.000 1.119 154 F CA -1.400 56.651 58.000 0.084 0.000 1.007 154 F CB 1.477 40.522 39.000 0.075 0.000 1.194 154 F HN 0.261 nan 8.300 nan 0.000 0.443 155 T N 7.548 122.326 114.554 0.373 0.000 2.727 155 T HA 0.199 4.865 4.350 0.526 0.000 0.295 155 T C -0.815 173.928 174.700 0.071 0.000 0.915 155 T CA 0.206 62.392 62.100 0.144 0.000 1.066 155 T CB -0.332 68.606 68.868 0.116 0.000 0.891 155 T HN 0.378 nan 8.240 nan 0.000 0.516 156 F N 3.348 123.114 119.950 -0.307 0.000 2.359 156 F HA 0.366 5.206 4.527 0.523 0.000 0.369 156 F C 0.391 176.076 175.800 -0.192 0.000 1.084 156 F CA -1.033 56.737 58.000 -0.384 0.000 1.096 156 F CB 0.884 39.472 39.000 -0.687 0.000 1.335 156 F HN 0.380 nan 8.300 nan 0.000 0.457 157 S N 5.656 121.004 115.700 -0.585 0.000 3.149 157 S HA 0.267 5.053 4.470 0.526 0.000 0.228 157 S C -1.060 172.803 174.600 -1.228 0.000 1.393 157 S CA -0.035 57.737 58.200 -0.713 0.000 1.224 157 S CB -0.802 62.066 63.200 -0.553 0.000 1.112 157 S HN 0.497 nan 8.310 nan 0.000 0.502 158 Y N 0.106 120.039 120.300 -0.612 0.000 2.545 158 Y HA 0.436 5.303 4.550 0.528 0.000 0.348 158 Y C -2.674 173.058 175.900 -0.280 0.000 1.002 158 Y CA -2.977 54.827 58.100 -0.494 0.000 1.039 158 Y CB 0.497 38.485 38.460 -0.787 0.000 1.271 158 Y HN 0.017 nan 8.280 nan 0.000 0.467 159 P HA 0.292 nan 4.420 nan 0.000 0.261 159 P C -0.992 176.323 177.300 0.025 0.000 1.203 159 P CA 0.446 63.542 63.100 -0.007 0.000 0.767 159 P CB 0.286 31.988 31.700 0.004 0.000 0.785 160 A N 2.675 125.523 122.820 0.047 0.000 2.609 160 A HA 0.762 5.398 4.320 0.526 0.000 0.291 160 A C -0.727 176.883 177.584 0.043 0.000 1.096 160 A CA -0.429 51.653 52.037 0.074 0.000 0.684 160 A CB 1.377 20.495 19.000 0.196 0.000 1.282 160 A HN 0.449 nan 8.150 nan 0.000 0.412 161 S N -0.009 115.706 115.700 0.025 0.000 2.599 161 S HA 0.837 5.623 4.470 0.526 0.000 0.287 161 S C -0.956 173.657 174.600 0.022 0.000 1.105 161 S CA -0.449 57.770 58.200 0.032 0.000 0.899 161 S CB 1.732 64.947 63.200 0.024 0.000 1.100 161 S HN 1.464 nan 8.310 nan 0.000 0.482 162 Q N 0.078 119.914 119.800 0.061 0.000 2.377 162 Q HA 0.523 5.179 4.340 0.526 0.000 0.279 162 Q C -1.161 174.865 176.000 0.044 0.000 1.049 162 Q CA -1.024 54.792 55.803 0.022 0.000 0.825 162 Q CB 1.794 30.544 28.738 0.021 0.000 1.401 162 Q HN 0.693 nan 8.270 nan 0.000 0.404 163 K N 0.776 121.097 120.400 -0.132 0.000 2.358 163 K HA 0.172 4.807 4.320 0.526 0.000 0.197 163 K C -0.373 175.761 176.600 -0.777 0.000 1.025 163 K CA 0.358 56.489 56.287 -0.260 0.000 1.104 163 K CB 0.565 32.957 32.500 -0.179 0.000 0.855 163 K HN 0.661 nan 8.250 nan 0.000 0.531 164 K N -0.925 119.032 120.400 -0.738 0.000 2.575 164 K HA 0.243 4.879 4.320 0.526 0.000 0.279 164 K C 0.101 176.444 176.600 -0.428 0.000 0.969 164 K CA -0.711 55.078 56.287 -0.830 0.000 0.868 164 K CB 0.831 33.035 32.500 -0.493 0.000 1.457 164 K HN -0.168 nan 8.250 nan 0.000 0.426 165 I N 0.989 121.415 120.570 -0.240 0.000 2.493 165 I HA -0.176 4.310 4.170 0.526 0.000 0.254 165 I C 0.414 176.505 176.117 -0.043 0.000 1.160 165 I CA 0.929 62.221 61.300 -0.013 0.000 1.445 165 I CB 0.026 38.084 38.000 0.095 0.000 1.086 165 I HN 0.734 nan 8.210 nan 0.000 0.433 166 N N 0.825 119.474 118.700 -0.084 0.000 3.052 166 N HA 0.055 5.110 4.740 0.526 0.000 0.302 166 N C -0.616 174.836 175.510 -0.098 0.000 1.332 166 N CA 0.042 53.050 53.050 -0.070 0.000 1.129 166 N CB 0.577 39.026 38.487 -0.064 0.000 1.436 166 N HN 0.100 nan 8.380 nan 0.000 0.536 167 S N -1.043 114.595 115.700 -0.103 0.000 2.565 167 S HA 0.746 5.531 4.470 0.526 0.000 0.274 167 S C -1.521 173.003 174.600 -0.127 0.000 1.144 167 S CA -0.415 57.709 58.200 -0.126 0.000 0.849 167 S CB 1.184 64.300 63.200 -0.141 0.000 1.103 167 S HN 0.573 nan 8.310 nan 0.000 0.455 168 G N 1.704 110.405 108.800 -0.165 0.000 2.552 168 G HA2 0.501 4.777 3.960 0.526 0.000 0.288 168 G HA3 0.501 4.777 3.960 0.526 0.000 0.288 168 G C -1.681 173.112 174.900 -0.178 0.000 1.358 168 G CA -0.317 44.683 45.100 -0.166 0.000 1.305 168 G HN 0.876 nan 8.290 nan 0.000 0.602 169 V N 3.625 123.478 119.914 -0.101 0.000 2.364 169 V HA 0.320 4.756 4.120 0.526 0.000 0.272 169 V C 0.524 176.584 176.094 -0.057 0.000 1.036 169 V CA -0.741 61.507 62.300 -0.086 0.000 0.880 169 V CB 1.167 32.946 31.823 -0.072 0.000 0.991 169 V HN 0.758 nan 8.190 nan 0.000 0.460 170 L N 5.799 126.980 121.223 -0.070 0.000 2.513 170 L HA 0.162 4.818 4.340 0.526 0.000 0.272 170 L C 1.326 178.140 176.870 -0.093 0.000 1.187 170 L CA 0.878 55.681 54.840 -0.061 0.000 0.895 170 L CB 0.784 42.716 42.059 -0.212 0.000 1.147 170 L HN 0.630 nan 8.230 nan 0.000 0.483 171 Q N 4.888 124.648 119.800 -0.065 0.000 2.134 171 Q HA 0.107 4.762 4.340 0.526 0.000 0.195 171 Q C -0.086 175.873 176.000 -0.069 0.000 0.958 171 Q CA 1.157 56.928 55.803 -0.054 0.000 0.840 171 Q CB 0.035 28.761 28.738 -0.021 0.000 0.918 171 Q HN 0.806 nan 8.270 nan 0.000 0.467 172 R N -2.025 118.421 120.500 -0.089 0.000 2.604 172 R HA 0.361 5.016 4.340 0.526 0.000 0.261 172 R C -1.606 174.668 176.300 -0.043 0.000 1.080 172 R CA -0.685 55.384 56.100 -0.052 0.000 0.917 172 R CB 0.041 30.360 30.300 0.032 0.000 1.252 172 R HN -0.097 nan 8.270 nan 0.000 0.456 173 W N 2.139 123.481 121.300 0.069 0.000 2.150 173 W HA 0.353 5.329 4.660 0.526 0.000 0.341 173 W C 0.636 177.219 176.519 0.107 0.000 1.276 173 W CA 0.511 57.887 57.345 0.052 0.000 1.238 173 W CB 1.554 31.053 29.460 0.066 0.000 1.128 173 W HN 0.800 nan 8.180 nan 0.000 0.581 174 T N -1.935 112.926 114.554 0.513 0.000 2.716 174 T HA 0.440 5.106 4.350 0.526 0.000 0.286 174 T C -0.366 174.585 174.700 0.418 0.000 1.052 174 T CA -1.104 61.207 62.100 0.352 0.000 1.024 174 T CB 1.563 70.574 68.868 0.239 0.000 1.349 174 T HN 0.513 nan 8.240 nan 0.000 0.525 175 K N 0.140 120.702 120.400 0.270 0.000 3.117 175 K HA -0.161 4.475 4.320 0.526 0.000 0.269 175 K C 1.016 177.748 176.600 0.221 0.000 1.098 175 K CA 0.694 57.135 56.287 0.257 0.000 0.785 175 K CB -2.080 30.635 32.500 0.358 0.000 1.242 175 K HN 1.692 nan 8.250 nan 0.000 0.491 176 G N -0.603 108.275 108.800 0.130 0.000 2.184 176 G HA2 -0.353 3.922 3.960 0.526 0.000 0.264 176 G HA3 -0.353 3.922 3.960 0.526 0.000 0.264 176 G C 0.161 174.994 174.900 -0.112 0.000 0.975 176 G CA 0.407 45.502 45.100 -0.009 0.000 0.642 176 G HN 0.296 nan 8.290 nan 0.000 0.536 177 F N 0.870 120.733 119.950 -0.145 0.000 2.471 177 F HA 0.512 5.356 4.527 0.528 0.000 0.353 177 F C 0.880 176.435 175.800 -0.409 0.000 1.113 177 F CA 0.639 58.376 58.000 -0.439 0.000 1.262 177 F CB 1.185 39.729 39.000 -0.759 0.000 1.146 177 F HN 0.036 nan 8.300 nan 0.000 0.578 178 D N 3.474 123.638 120.400 -0.394 0.000 3.118 178 D HA 0.239 5.194 4.640 0.526 0.000 0.259 178 D C -1.058 175.087 176.300 -0.259 0.000 1.292 178 D CA -0.067 53.805 54.000 -0.212 0.000 0.784 178 D CB -0.059 40.708 40.800 -0.055 0.000 1.413 178 D HN 0.283 nan 8.370 nan 0.000 0.583 179 I N 1.523 121.791 120.570 -0.503 0.000 2.312 179 I HA 0.215 4.701 4.170 0.526 0.000 0.291 179 I C 0.857 177.112 176.117 0.230 0.000 1.031 179 I CA -0.649 60.555 61.300 -0.161 0.000 1.293 179 I CB 1.203 39.034 38.000 -0.281 0.000 1.403 179 I HN 0.206 nan 8.210 nan 0.000 0.484 180 E N 4.894 125.179 120.200 0.142 0.000 2.392 180 E HA 0.179 4.844 4.350 0.526 0.000 0.264 180 E C 1.023 177.748 176.600 0.207 0.000 1.024 180 E CA 0.749 57.255 56.400 0.177 0.000 0.903 180 E CB 0.582 30.344 29.700 0.103 0.000 0.963 180 E HN 0.890 nan 8.360 nan 0.000 0.432 181 G N 2.338 111.267 108.800 0.215 0.000 2.136 181 G HA2 -0.238 4.037 3.960 0.526 0.000 0.242 181 G HA3 -0.238 4.037 3.960 0.526 0.000 0.242 181 G C 0.489 175.501 174.900 0.186 0.000 0.989 181 G CA 0.281 45.478 45.100 0.162 0.000 0.682 181 G HN 0.422 nan 8.290 nan 0.000 0.522 182 V N -0.576 119.542 119.914 0.339 0.000 3.013 182 V HA 0.224 4.660 4.120 0.526 0.000 0.238 182 V C 1.319 177.558 176.094 0.242 0.000 1.161 182 V CA 0.925 63.430 62.300 0.342 0.000 1.170 182 V CB 0.045 32.153 31.823 0.474 0.000 0.917 182 V HN 0.441 nan 8.190 nan 0.000 0.478 183 E N 1.103 121.382 120.200 0.131 0.000 2.465 183 E HA 0.334 4.999 4.350 0.526 0.000 0.260 183 E C 1.219 177.821 176.600 0.003 0.000 0.980 183 E CA 0.904 57.295 56.400 -0.014 0.000 0.927 183 E CB 0.365 30.058 29.700 -0.011 0.000 0.934 183 E HN 0.521 nan 8.360 nan 0.000 0.459 184 G N 2.950 111.695 108.800 -0.092 0.000 2.176 184 G HA2 -0.233 4.043 3.960 0.526 0.000 0.253 184 G HA3 -0.233 4.043 3.960 0.526 0.000 0.253 184 G C -0.015 174.681 174.900 -0.340 0.000 0.979 184 G CA -0.129 44.847 45.100 -0.206 0.000 0.641 184 G HN 0.670 nan 8.290 nan 0.000 0.530 185 H N 0.038 119.083 119.070 -0.041 0.000 2.670 185 H HA 0.466 5.337 4.556 0.525 0.000 0.361 185 H C -1.045 174.227 175.328 -0.093 0.000 1.169 185 H CA -0.640 55.379 56.048 -0.048 0.000 1.198 185 H CB 1.869 31.623 29.762 -0.013 0.000 1.700 185 H HN 0.159 nan 8.280 nan 0.000 0.542 186 D N 1.993 122.404 120.400 0.018 0.000 2.325 186 D HA 0.018 4.973 4.640 0.526 0.000 0.251 186 D C 1.311 177.504 176.300 -0.178 0.000 1.196 186 D CA -0.227 53.715 54.000 -0.098 0.000 0.866 186 D CB 1.193 41.933 40.800 -0.100 0.000 1.101 186 D HN 0.380 nan 8.370 nan 0.000 0.476 187 V N 2.482 122.225 119.914 -0.286 0.000 2.871 187 V HA -0.095 4.340 4.120 0.526 0.000 0.256 187 V C 1.925 177.688 176.094 -0.551 0.000 1.082 187 V CA 0.645 62.660 62.300 -0.476 0.000 1.105 187 V CB -0.435 31.068 31.823 -0.533 0.000 0.713 187 V HN 0.388 nan 8.190 nan 0.000 0.473 188 V N 1.086 120.797 119.914 -0.338 0.000 2.261 188 V HA -0.083 4.352 4.120 0.526 0.000 0.246 188 V C 0.500 176.430 176.094 -0.272 0.000 1.047 188 V CA 2.840 64.993 62.300 -0.245 0.000 1.015 188 V CB -1.702 30.033 31.823 -0.147 0.000 0.642 188 V HN 0.520 nan 8.190 nan 0.000 0.446 189 P HA -0.113 nan 4.420 nan 0.000 0.220 189 P C 1.854 178.984 177.300 -0.283 0.000 1.148 189 P CA 1.450 64.424 63.100 -0.210 0.000 0.803 189 P CB -0.089 31.519 31.700 -0.154 0.000 0.782 190 M N -1.689 117.643 119.600 -0.447 0.000 2.099 190 M HA -0.130 4.666 4.480 0.526 0.000 0.262 190 M C 1.994 177.892 176.300 -0.670 0.000 1.067 190 M CA 1.572 56.499 55.300 -0.621 0.000 1.124 190 M CB -0.940 31.054 32.600 -1.011 0.000 1.353 190 M HN -0.031 nan 8.290 nan 0.000 0.410 191 L N 0.470 121.211 121.223 -0.803 0.000 2.027 191 L HA -0.180 4.476 4.340 0.526 0.000 0.206 191 L C 2.429 179.180 176.870 -0.197 0.000 1.074 191 L CA 1.930 56.528 54.840 -0.405 0.000 0.745 191 L CB -0.827 41.009 42.059 -0.372 0.000 0.898 191 L HN 0.227 nan 8.230 nan 0.000 0.433 192 Q N 0.099 119.777 119.800 -0.204 0.000 2.135 192 Q HA -0.274 4.382 4.340 0.526 0.000 0.204 192 Q C 2.218 178.161 176.000 -0.095 0.000 0.981 192 Q CA 2.153 57.881 55.803 -0.126 0.000 0.856 192 Q CB -0.327 28.341 28.738 -0.117 0.000 0.902 192 Q HN 0.694 nan 8.270 nan 0.000 0.425 193 E N -1.088 119.048 120.200 -0.107 0.000 2.110 193 E HA -0.233 4.433 4.350 0.526 0.000 0.193 193 E C 1.710 178.291 176.600 -0.031 0.000 0.988 193 E CA 1.142 57.503 56.400 -0.066 0.000 0.804 193 E CB 0.106 29.765 29.700 -0.070 0.000 0.745 193 E HN 0.357 nan 8.360 nan 0.000 0.458 194 Q N 0.184 119.975 119.800 -0.015 0.000 2.172 194 Q HA -0.064 4.592 4.340 0.526 0.000 0.200 194 Q C 2.308 178.311 176.000 0.005 0.000 0.964 194 Q CA 0.776 56.597 55.803 0.028 0.000 0.855 194 Q CB -0.121 28.680 28.738 0.104 0.000 0.918 194 Q HN 0.455 nan 8.270 nan 0.000 0.444 195 I N 0.842 121.400 120.570 -0.019 0.000 2.179 195 I HA -0.277 4.208 4.170 0.526 0.000 0.242 195 I C 2.045 178.147 176.117 -0.025 0.000 1.088 195 I CA 1.295 62.577 61.300 -0.029 0.000 1.357 195 I CB -0.162 37.810 38.000 -0.047 0.000 1.051 195 I HN 0.237 nan 8.210 nan 0.000 0.409 196 E N 0.541 120.723 120.200 -0.029 0.000 2.150 196 E HA -0.253 4.413 4.350 0.526 0.000 0.193 196 E C 2.113 178.703 176.600 -0.016 0.000 0.985 196 E CA 0.825 57.210 56.400 -0.025 0.000 0.814 196 E CB -0.054 29.628 29.700 -0.031 0.000 0.752 196 E HN 0.336 nan 8.360 nan 0.000 0.466 197 K N 0.905 121.299 120.400 -0.010 0.000 2.103 197 K HA -0.125 4.510 4.320 0.526 0.000 0.207 197 K C 1.631 178.230 176.600 -0.002 0.000 1.048 197 K CA 0.951 57.236 56.287 -0.002 0.000 0.930 197 K CB 0.063 32.567 32.500 0.007 0.000 0.716 197 K HN 0.119 nan 8.250 nan 0.000 0.444 198 L N 1.041 122.262 121.223 -0.004 0.000 2.611 198 L HA 0.065 4.720 4.340 0.526 0.000 0.229 198 L C -0.237 176.629 176.870 -0.007 0.000 1.137 198 L CA -0.164 54.673 54.840 -0.005 0.000 0.901 198 L CB -0.116 41.938 42.059 -0.007 0.000 1.098 198 L HN 0.261 nan 8.230 nan 0.000 0.456 199 N N 0.949 119.643 118.700 -0.010 0.000 2.721 199 N HA -0.191 4.864 4.740 0.526 0.000 0.249 199 N C -0.194 175.308 175.510 -0.013 0.000 1.072 199 N CA 0.861 53.904 53.050 -0.012 0.000 0.710 199 N CB -1.528 36.953 38.487 -0.009 0.000 0.993 199 N HN 0.349 nan 8.380 nan 0.000 0.547 200 I N 1.378 121.939 120.570 -0.015 0.000 2.395 200 I HA 0.164 4.650 4.170 0.526 0.000 0.289 200 I C -1.463 174.638 176.117 -0.026 0.000 1.023 200 I CA -1.656 59.637 61.300 -0.013 0.000 1.350 200 I CB 0.802 38.797 38.000 -0.008 0.000 1.409 200 I HN -0.166 nan 8.210 nan 0.000 0.507 201 P HA 0.337 nan 4.420 nan 0.000 0.231 201 P C -0.609 176.650 177.300 -0.068 0.000 1.811 201 P CA 0.323 63.388 63.100 -0.058 0.000 1.051 201 P CB -0.140 31.512 31.700 -0.080 0.000 1.951 202 I N 1.802 122.342 120.570 -0.050 0.000 2.582 202 I HA 0.340 4.826 4.170 0.526 0.000 0.292 202 I C -0.142 175.950 176.117 -0.041 0.000 1.066 202 I CA -0.762 60.510 61.300 -0.046 0.000 1.053 202 I CB 2.544 40.522 38.000 -0.037 0.000 1.241 202 I HN -0.009 nan 8.210 nan 0.000 0.421 203 N N 4.667 123.348 118.700 -0.032 0.000 2.407 203 N HA 0.323 5.378 4.740 0.526 0.000 0.277 203 N C -0.859 174.641 175.510 -0.017 0.000 0.995 203 N CA -0.435 52.599 53.050 -0.028 0.000 0.903 203 N CB 2.880 41.354 38.487 -0.021 0.000 1.218 203 N HN 0.170 nan 8.380 nan 0.000 0.487 204 V N 2.771 122.666 119.914 -0.031 0.000 2.415 204 V HA 0.044 4.480 4.120 0.526 0.000 0.267 204 V C 1.542 177.632 176.094 -0.007 0.000 1.042 204 V CA -0.146 62.144 62.300 -0.017 0.000 1.000 204 V CB 0.528 32.327 31.823 -0.039 0.000 1.015 204 V HN 0.598 nan 8.190 nan 0.000 0.478 205 V N 1.823 121.746 119.914 0.016 0.000 3.605 205 V HA 0.779 5.215 4.120 0.526 0.000 0.284 205 V C 0.575 176.677 176.094 0.012 0.000 1.386 205 V CA 0.567 62.872 62.300 0.009 0.000 1.053 205 V CB 0.218 32.052 31.823 0.020 0.000 0.857 205 V HN 0.825 nan 8.190 nan 0.000 0.436 206 A N 0.474 123.316 122.820 0.036 0.000 2.574 206 A HA 0.838 5.473 4.320 0.526 0.000 0.297 206 A C -1.598 176.030 177.584 0.074 0.000 1.062 206 A CA -0.478 51.583 52.037 0.040 0.000 0.686 206 A CB 2.176 21.197 19.000 0.034 0.000 1.285 206 A HN 0.591 nan 8.150 nan 0.000 0.403 207 L N 3.167 124.418 121.223 0.046 0.000 2.409 207 L HA 0.906 5.562 4.340 0.526 0.000 0.272 207 L C -1.048 175.835 176.870 0.022 0.000 0.980 207 L CA -0.739 54.117 54.840 0.028 0.000 0.826 207 L CB 1.406 43.428 42.059 -0.062 0.000 1.268 207 L HN 0.856 nan 8.230 nan 0.000 0.407 208 I N 1.035 121.618 120.570 0.022 0.000 3.074 208 I HA 0.512 4.998 4.170 0.526 0.000 0.310 208 I C -1.270 174.845 176.117 -0.004 0.000 1.153 208 I CA -0.834 60.474 61.300 0.013 0.000 0.993 208 I CB 2.075 40.079 38.000 0.008 0.000 1.237 208 I HN 0.615 nan 8.210 nan 0.000 0.443 209 N N 3.048 121.733 118.700 -0.024 0.000 2.529 209 N HA 0.009 5.065 4.740 0.526 0.000 0.278 209 N C 0.596 176.077 175.510 -0.047 0.000 1.146 209 N CA 0.091 53.113 53.050 -0.047 0.000 0.980 209 N CB 1.220 39.671 38.487 -0.060 0.000 1.124 209 N HN 0.916 nan 8.380 nan 0.000 0.458 210 D N 2.458 122.828 120.400 -0.051 0.000 2.182 210 D HA -0.177 4.779 4.640 0.526 0.000 0.201 210 D C 0.906 177.181 176.300 -0.041 0.000 0.986 210 D CA 1.545 55.523 54.000 -0.037 0.000 0.847 210 D CB -0.333 40.444 40.800 -0.038 0.000 0.942 210 D HN 0.497 nan 8.370 nan 0.000 0.467 211 T N 0.388 114.908 114.554 -0.056 0.000 2.857 211 T HA -0.087 4.579 4.350 0.526 0.000 0.266 211 T C 2.037 176.696 174.700 -0.069 0.000 1.048 211 T CA 1.763 63.827 62.100 -0.061 0.000 1.139 211 T CB -0.452 68.366 68.868 -0.083 0.000 0.874 211 T HN 0.264 nan 8.240 nan 0.000 0.455 212 T N 1.399 115.901 114.554 -0.086 0.000 2.720 212 T HA -0.070 4.595 4.350 0.526 0.000 0.268 212 T C 2.304 176.958 174.700 -0.076 0.000 1.037 212 T CA 1.344 63.379 62.100 -0.110 0.000 1.144 212 T CB -0.846 67.952 68.868 -0.117 0.000 0.864 212 T HN 0.524 nan 8.240 nan 0.000 0.444 213 G N 1.059 109.829 108.800 -0.050 0.000 2.418 213 G HA2 -0.212 4.063 3.960 0.526 0.000 0.217 213 G HA3 -0.212 4.063 3.960 0.526 0.000 0.217 213 G C 1.721 176.610 174.900 -0.019 0.000 1.158 213 G CA 1.391 46.471 45.100 -0.033 0.000 0.771 213 G HN 0.448 nan 8.290 nan 0.000 0.545 214 T N 1.113 115.658 114.554 -0.016 0.000 2.720 214 T HA -0.148 4.517 4.350 0.526 0.000 0.268 214 T C 2.238 176.950 174.700 0.020 0.000 1.037 214 T CA 1.277 63.379 62.100 0.003 0.000 1.144 214 T CB -0.243 68.621 68.868 -0.007 0.000 0.864 214 T HN 0.168 nan 8.240 nan 0.000 0.444 215 L N 1.298 122.526 121.223 0.007 0.000 1.994 215 L HA -0.044 4.611 4.340 0.526 0.000 0.208 215 L C 2.409 179.331 176.870 0.087 0.000 1.071 215 L CA 1.719 56.581 54.840 0.036 0.000 0.745 215 L CB -0.812 41.233 42.059 -0.023 0.000 0.892 215 L HN 0.081 nan 8.230 nan 0.000 0.431 216 V N 0.150 120.100 119.914 0.060 0.000 2.379 216 V HA -0.184 4.252 4.120 0.526 0.000 0.245 216 V C 2.822 178.991 176.094 0.125 0.000 1.044 216 V CA 1.454 63.826 62.300 0.121 0.000 1.036 216 V CB -1.351 30.514 31.823 0.069 0.000 0.664 216 V HN 0.613 nan 8.190 nan 0.000 0.453 217 A N -0.105 122.754 122.820 0.064 0.000 1.908 217 A HA -0.211 4.424 4.320 0.526 0.000 0.218 217 A C 2.471 180.163 177.584 0.180 0.000 1.181 217 A CA 2.366 54.444 52.037 0.068 0.000 0.627 217 A CB -0.671 18.319 19.000 -0.017 0.000 0.818 217 A HN 0.516 nan 8.150 nan 0.000 0.445 218 S N -0.666 115.121 115.700 0.145 0.000 2.387 218 S HA -0.081 4.705 4.470 0.526 0.000 0.226 218 S C 1.784 176.479 174.600 0.158 0.000 1.026 218 S CA 1.189 59.481 58.200 0.153 0.000 0.972 218 S CB -0.329 62.934 63.200 0.104 0.000 0.814 218 S HN 0.457 nan 8.310 nan 0.000 0.477 219 L N 0.860 122.181 121.223 0.163 0.000 2.141 219 L HA -0.013 4.643 4.340 0.526 0.000 0.209 219 L C 1.950 178.931 176.870 0.184 0.000 1.094 219 L CA 1.595 56.521 54.840 0.143 0.000 0.763 219 L CB -0.876 41.289 42.059 0.176 0.000 0.908 219 L HN 0.376 nan 8.230 nan 0.000 0.437 220 Y N 0.082 120.466 120.300 0.140 0.000 2.181 220 Y HA -0.243 4.616 4.550 0.516 0.000 0.288 220 Y C 2.542 178.617 175.900 0.292 0.000 1.146 220 Y CA 2.386 60.596 58.100 0.182 0.000 1.164 220 Y CB -0.460 38.072 38.460 0.119 0.000 0.982 220 Y HN 0.397 nan 8.280 nan 0.000 0.515 221 T N -3.008 111.700 114.554 0.257 0.000 3.009 221 T HA 0.007 4.673 4.350 0.526 0.000 0.258 221 T C 0.310 175.016 174.700 0.011 0.000 1.063 221 T CA 0.711 62.913 62.100 0.171 0.000 1.139 221 T CB -0.062 68.986 68.868 0.300 0.000 0.890 221 T HN 0.252 nan 8.240 nan 0.000 0.471 222 D N 2.224 122.634 120.400 0.017 0.000 2.420 222 D HA 0.325 5.281 4.640 0.526 0.000 0.255 222 D C -2.232 174.011 176.300 -0.094 0.000 1.185 222 D CA -2.669 51.302 54.000 -0.049 0.000 0.904 222 D CB 2.019 42.859 40.800 0.067 0.000 1.102 222 D HN -0.026 nan 8.370 nan 0.000 0.534 223 P HA -0.060 nan 4.420 nan 0.000 0.239 223 P C 0.625 177.793 177.300 -0.220 0.000 1.184 223 P CA 0.618 63.608 63.100 -0.184 0.000 0.760 223 P CB 0.346 31.916 31.700 -0.217 0.000 0.884 224 Q N -0.915 118.731 119.800 -0.257 0.000 2.360 224 Q HA 0.076 4.732 4.340 0.526 0.000 0.202 224 Q C 0.160 176.004 176.000 -0.259 0.000 0.915 224 Q CA 0.193 55.779 55.803 -0.361 0.000 0.943 224 Q CB -0.184 28.154 28.738 -0.667 0.000 1.064 224 Q HN 0.149 nan 8.270 nan 0.000 0.511 225 T N 1.452 115.935 114.554 -0.119 0.000 2.853 225 T HA 0.057 4.723 4.350 0.526 0.000 0.298 225 T C 0.934 175.579 174.700 -0.091 0.000 0.978 225 T CA 0.211 62.296 62.100 -0.025 0.000 1.152 225 T CB 0.683 69.575 68.868 0.040 0.000 0.914 225 T HN -0.006 nan 8.240 nan 0.000 0.539 226 K N 2.065 122.414 120.400 -0.085 0.000 2.402 226 K HA 0.340 4.976 4.320 0.526 0.000 0.203 226 K C 0.135 176.796 176.600 0.101 0.000 1.077 226 K CA 0.130 56.325 56.287 -0.154 0.000 1.051 226 K CB 0.712 32.939 32.500 -0.456 0.000 0.907 226 K HN 0.617 nan 8.250 nan 0.000 0.554 227 M N -0.521 119.147 119.600 0.114 0.000 2.471 227 M HA 0.399 5.194 4.480 0.526 0.000 0.284 227 M C -1.582 174.773 176.300 0.092 0.000 1.203 227 M CA -0.608 54.784 55.300 0.153 0.000 0.915 227 M CB 2.352 35.043 32.600 0.152 0.000 1.734 227 M HN 0.053 nan 8.290 nan 0.000 0.485 228 G N 3.611 112.454 108.800 0.072 0.000 2.416 228 G HA2 0.714 4.990 3.960 0.526 0.000 0.324 228 G HA3 0.714 4.990 3.960 0.526 0.000 0.324 228 G C -1.909 173.002 174.900 0.018 0.000 1.194 228 G CA -0.547 44.569 45.100 0.026 0.000 0.922 228 G HN 0.800 nan 8.290 nan 0.000 0.467 229 I N 2.333 122.902 120.570 -0.002 0.000 2.619 229 I HA 0.465 4.951 4.170 0.526 0.000 0.292 229 I C -1.279 174.838 176.117 -0.000 0.000 1.100 229 I CA -1.236 60.082 61.300 0.031 0.000 1.043 229 I CB 1.945 39.995 38.000 0.084 0.000 1.239 229 I HN 0.149 nan 8.210 nan 0.000 0.420 230 I N 8.420 129.013 120.570 0.038 0.000 2.362 230 I HA 0.401 4.887 4.170 0.526 0.000 0.289 230 I C -0.289 175.878 176.117 0.084 0.000 0.994 230 I CA -0.527 60.795 61.300 0.037 0.000 1.158 230 I CB 1.368 39.381 38.000 0.022 0.000 1.315 230 I HN 0.424 nan 8.210 nan 0.000 0.451 231 I N 5.956 126.562 120.570 0.061 0.000 2.537 231 I HA 0.580 5.066 4.170 0.526 0.000 0.276 231 I C 0.493 176.616 176.117 0.010 0.000 1.063 231 I CA -0.073 61.256 61.300 0.049 0.000 1.144 231 I CB 1.421 39.441 38.000 0.033 0.000 1.252 231 I HN 0.705 nan 8.210 nan 0.000 0.480 232 G N 2.391 111.208 108.800 0.029 0.000 2.933 232 G HA2 0.208 4.484 3.960 0.526 0.000 0.203 232 G HA3 0.208 4.484 3.960 0.526 0.000 0.203 232 G C 0.437 175.365 174.900 0.047 0.000 1.170 232 G CA 0.056 45.173 45.100 0.029 0.000 0.880 232 G HN 0.229 nan 8.290 nan 0.000 0.573 233 T N 0.512 115.091 114.554 0.042 0.000 2.684 233 T HA 0.106 4.771 4.350 0.526 0.000 0.267 233 T C 1.324 176.038 174.700 0.024 0.000 1.036 233 T CA 1.695 63.815 62.100 0.033 0.000 1.148 233 T CB -0.556 68.299 68.868 -0.021 0.000 0.863 233 T HN 0.746 nan 8.240 nan 0.000 0.436 234 G N 0.429 109.241 108.800 0.020 0.000 2.491 234 G HA2 0.571 4.847 3.960 0.526 0.000 0.327 234 G HA3 0.571 4.847 3.960 0.526 0.000 0.327 234 G C -1.008 173.942 174.900 0.084 0.000 1.189 234 G CA -0.521 44.607 45.100 0.048 0.000 0.956 234 G HN 0.447 nan 8.290 nan 0.000 0.491 235 V N -1.286 118.708 119.914 0.133 0.000 2.789 235 V HA 0.903 5.339 4.120 0.526 0.000 0.311 235 V C -0.935 175.293 176.094 0.222 0.000 1.073 235 V CA -1.072 61.353 62.300 0.208 0.000 0.921 235 V CB 1.827 33.808 31.823 0.263 0.000 1.009 235 V HN 0.842 nan 8.190 nan 0.000 0.426 236 N N 1.281 120.072 118.700 0.151 0.000 3.127 236 N HA 0.797 5.853 4.740 0.526 0.000 0.239 236 N C -0.777 174.512 175.510 -0.369 0.000 1.407 236 N CA 0.349 53.279 53.050 -0.200 0.000 0.891 236 N CB 2.264 40.673 38.487 -0.130 0.000 1.447 236 N HN 1.411 nan 8.380 nan 0.000 0.507 237 G N -0.582 107.759 108.800 -0.765 0.000 2.706 237 G HA2 0.853 5.128 3.960 0.526 0.000 0.297 237 G HA3 0.853 5.128 3.960 0.526 0.000 0.297 237 G C -1.779 173.001 174.900 -0.201 0.000 1.403 237 G CA -0.193 44.693 45.100 -0.356 0.000 0.954 237 G HN 0.646 nan 8.290 nan 0.000 0.500 238 A N 0.458 123.262 122.820 -0.027 0.000 2.475 238 A HA 0.978 5.614 4.320 0.526 0.000 0.301 238 A C -1.144 176.517 177.584 0.128 0.000 1.059 238 A CA -0.769 51.264 52.037 -0.008 0.000 0.710 238 A CB 1.562 20.498 19.000 -0.107 0.000 1.288 238 A HN 2.079 nan 8.150 nan 0.000 0.408 239 Y N -1.283 118.973 120.300 -0.074 0.000 2.725 239 Y HA 0.731 5.534 4.550 0.422 0.000 0.333 239 Y C -1.915 173.985 175.900 0.001 0.000 1.242 239 Y CA -1.906 56.215 58.100 0.035 0.000 1.059 239 Y CB 0.644 39.184 38.460 0.132 0.000 1.306 239 Y HN 0.535 nan 8.280 nan 0.000 0.454 240 Y N 2.148 122.462 120.300 0.023 0.000 2.341 240 Y HA 0.339 5.009 4.550 0.200 0.000 0.340 240 Y C 0.421 176.309 175.900 -0.021 0.000 0.997 240 Y CA -0.082 57.978 58.100 -0.066 0.000 1.149 240 Y CB 0.913 39.512 38.460 0.232 0.000 1.171 240 Y HN 0.693 nan 8.280 nan 0.000 0.494 241 D N 1.008 121.338 120.400 -0.117 0.000 2.539 241 D HA 0.441 5.397 4.640 0.526 0.000 0.280 241 D C -1.182 175.171 176.300 0.088 0.000 1.208 241 D CA -0.234 53.808 54.000 0.071 0.000 1.088 241 D CB 2.048 42.840 40.800 -0.013 0.000 1.149 241 D HN 0.340 nan 8.370 nan 0.000 0.596 242 V N 0.695 120.645 119.914 0.061 0.000 2.823 242 V HA 0.178 4.613 4.120 0.526 0.000 0.312 242 V C 1.192 177.286 176.094 0.000 0.000 1.072 242 V CA -0.590 61.733 62.300 0.037 0.000 0.937 242 V CB 1.851 33.709 31.823 0.058 0.000 1.013 242 V HN 0.439 nan 8.190 nan 0.000 0.430 243 V N 4.279 124.185 119.914 -0.014 0.000 2.392 243 V HA -0.167 4.269 4.120 0.526 0.000 0.249 243 V C 2.540 178.629 176.094 -0.009 0.000 1.059 243 V CA 2.780 65.066 62.300 -0.024 0.000 1.051 243 V CB -0.493 31.321 31.823 -0.015 0.000 0.658 243 V HN 1.132 nan 8.190 nan 0.000 0.455 244 S N 0.628 116.329 115.700 0.003 0.000 2.469 244 S HA -0.079 4.707 4.470 0.526 0.000 0.238 244 S C 1.752 176.356 174.600 0.007 0.000 0.998 244 S CA 1.205 59.409 58.200 0.007 0.000 0.957 244 S CB -0.497 62.710 63.200 0.011 0.000 0.764 244 S HN 0.593 nan 8.310 nan 0.000 0.514 245 G N 0.648 109.453 108.800 0.008 0.000 3.233 245 G HA2 0.432 4.707 3.960 0.526 0.000 0.227 245 G HA3 0.432 4.707 3.960 0.526 0.000 0.227 245 G C 0.266 175.168 174.900 0.004 0.000 1.175 245 G CA -0.395 44.712 45.100 0.011 0.000 0.781 245 G HN 0.586 nan 8.290 nan 0.000 0.542 246 I N 0.659 121.223 120.570 -0.010 0.000 2.503 246 I HA 0.189 4.675 4.170 0.526 0.000 0.277 246 I C 1.152 177.262 176.117 -0.011 0.000 1.078 246 I CA -0.331 60.956 61.300 -0.021 0.000 1.184 246 I CB 1.533 39.498 38.000 -0.058 0.000 1.353 246 I HN 0.115 nan 8.210 nan 0.000 0.490 247 E N 5.495 125.693 120.200 -0.002 0.000 2.118 247 E HA -0.237 4.428 4.350 0.526 0.000 0.195 247 E C 1.887 178.491 176.600 0.006 0.000 0.992 247 E CA 1.517 57.919 56.400 0.003 0.000 0.804 247 E CB 0.286 29.989 29.700 0.005 0.000 0.741 247 E HN 0.683 nan 8.360 nan 0.000 0.458 248 K N 0.121 120.523 120.400 0.003 0.000 2.442 248 K HA -0.089 4.546 4.320 0.526 0.000 0.198 248 K C 1.738 178.351 176.600 0.021 0.000 1.042 248 K CA 0.854 57.147 56.287 0.010 0.000 0.958 248 K CB -0.041 32.463 32.500 0.007 0.000 0.766 248 K HN 0.214 nan 8.250 nan 0.000 0.474 249 L N 1.382 122.615 121.223 0.017 0.000 2.607 249 L HA 0.140 4.795 4.340 0.526 0.000 0.228 249 L C 0.143 177.039 176.870 0.043 0.000 1.123 249 L CA -0.185 54.681 54.840 0.044 0.000 0.890 249 L CB -0.011 42.067 42.059 0.032 0.000 1.103 249 L HN 0.199 nan 8.230 nan 0.000 0.468 250 E N 0.658 120.874 120.200 0.027 0.000 2.480 250 E HA 0.115 4.781 4.350 0.526 0.000 0.258 250 E C 1.106 177.721 176.600 0.026 0.000 0.984 250 E CA 0.734 57.148 56.400 0.023 0.000 0.930 250 E CB 0.406 30.115 29.700 0.016 0.000 0.936 250 E HN 0.334 nan 8.360 nan 0.000 0.466 251 G N 2.942 111.758 108.800 0.026 0.000 2.179 251 G HA2 -0.297 3.979 3.960 0.526 0.000 0.260 251 G HA3 -0.297 3.979 3.960 0.526 0.000 0.260 251 G C 0.657 175.573 174.900 0.027 0.000 0.977 251 G CA 0.316 45.429 45.100 0.022 0.000 0.641 251 G HN 0.525 nan 8.290 nan 0.000 0.533 252 L N -0.235 121.013 121.223 0.042 0.000 2.638 252 L HA 0.459 5.115 4.340 0.526 0.000 0.232 252 L C 1.189 178.096 176.870 0.062 0.000 1.099 252 L CA -0.064 54.807 54.840 0.051 0.000 0.883 252 L CB 0.182 42.288 42.059 0.077 0.000 1.136 252 L HN 0.125 nan 8.230 nan 0.000 0.492 253 L N 1.508 122.772 121.223 0.068 0.000 2.357 253 L HA 0.385 5.041 4.340 0.526 0.000 0.273 253 L C -1.945 174.951 176.870 0.042 0.000 1.080 253 L CA -1.849 53.039 54.840 0.080 0.000 0.803 253 L CB 0.988 43.106 42.059 0.098 0.000 1.174 253 L HN -0.170 nan 8.230 nan 0.000 0.443 254 P HA 0.104 nan 4.420 nan 0.000 0.274 254 P C -0.082 177.229 177.300 0.019 0.000 1.246 254 P CA -0.385 62.723 63.100 0.013 0.000 0.795 254 P CB 0.890 32.589 31.700 -0.002 0.000 1.006 255 E N 0.113 120.320 120.200 0.010 0.000 2.204 255 E HA -0.177 4.489 4.350 0.526 0.000 0.195 255 E C 0.852 177.459 176.600 0.012 0.000 0.990 255 E CA 1.253 57.659 56.400 0.010 0.000 0.821 255 E CB -0.117 29.586 29.700 0.005 0.000 0.750 255 E HN 0.573 nan 8.360 nan 0.000 0.477 256 D N 0.006 120.413 120.400 0.011 0.000 2.328 256 D HA -0.041 4.914 4.640 0.526 0.000 0.226 256 D C 0.352 176.665 176.300 0.021 0.000 1.066 256 D CA 0.206 54.212 54.000 0.011 0.000 0.861 256 D CB -0.115 40.688 40.800 0.006 0.000 0.912 256 D HN 0.135 nan 8.370 nan 0.000 0.521 257 I N 1.067 121.658 120.570 0.034 0.000 2.503 257 I HA 0.403 4.888 4.170 0.526 0.000 0.277 257 I C 0.834 176.972 176.117 0.035 0.000 1.078 257 I CA -0.873 60.456 61.300 0.048 0.000 1.184 257 I CB 1.443 39.504 38.000 0.100 0.000 1.353 257 I HN -0.082 nan 8.210 nan 0.000 0.490 258 G N 5.346 114.157 108.800 0.019 0.000 2.547 258 G HA2 0.334 4.610 3.960 0.526 0.000 0.291 258 G HA3 0.334 4.610 3.960 0.526 0.000 0.291 258 G C -1.487 173.419 174.900 0.010 0.000 1.211 258 G CA -0.984 44.124 45.100 0.013 0.000 0.950 258 G HN 0.321 nan 8.290 nan 0.000 0.504 259 P HA -0.036 nan 4.420 nan 0.000 0.220 259 P C 0.423 177.727 177.300 0.007 0.000 1.148 259 P CA 0.982 64.087 63.100 0.009 0.000 0.803 259 P CB 0.363 32.069 31.700 0.010 0.000 0.782 260 D N -0.830 119.574 120.400 0.006 0.000 2.339 260 D HA 0.023 4.979 4.640 0.526 0.000 0.217 260 D C 0.621 176.917 176.300 -0.006 0.000 1.050 260 D CA 0.311 54.315 54.000 0.007 0.000 0.856 260 D CB -0.216 40.590 40.800 0.010 0.000 0.922 260 D HN 0.064 nan 8.370 nan 0.000 0.518 261 S N 1.612 117.303 115.700 -0.015 0.000 2.533 261 S HA 0.160 4.945 4.470 0.526 0.000 0.282 261 S C -2.369 172.200 174.600 -0.052 0.000 1.304 261 S CA -1.204 56.971 58.200 -0.041 0.000 1.063 261 S CB 0.778 63.964 63.200 -0.024 0.000 0.881 261 S HN -0.149 nan 8.310 nan 0.000 0.493 262 P HA 0.255 nan 4.420 nan 0.000 0.270 262 P C -0.788 176.506 177.300 -0.010 0.000 1.223 262 P CA -0.218 62.828 63.100 -0.090 0.000 0.785 262 P CB 0.377 31.797 31.700 -0.466 0.000 0.923 263 M N 1.684 121.316 119.600 0.053 0.000 2.206 263 M HA 0.547 5.343 4.480 0.526 0.000 0.272 263 M C -1.389 174.788 176.300 -0.205 0.000 1.012 263 M CA -0.738 54.505 55.300 -0.095 0.000 0.986 263 M CB 1.228 33.703 32.600 -0.208 0.000 1.740 263 M HN 0.336 nan 8.290 nan 0.000 0.472 264 A N 5.289 127.881 122.820 -0.380 0.000 2.477 264 A HA 0.615 5.250 4.320 0.526 0.000 0.246 264 A C -0.524 176.735 177.584 -0.540 0.000 1.078 264 A CA -0.081 51.539 52.037 -0.694 0.000 0.770 264 A CB -0.057 18.489 19.000 -0.757 0.000 1.011 264 A HN 0.751 nan 8.150 nan 0.000 0.494 265 I N 2.551 122.762 120.570 -0.600 0.000 2.406 265 I HA 0.200 4.686 4.170 0.526 0.000 0.290 265 I C -0.162 175.766 176.117 -0.316 0.000 0.999 265 I CA -0.718 60.300 61.300 -0.469 0.000 1.124 265 I CB 1.558 39.219 38.000 -0.565 0.000 1.289 265 I HN 0.763 nan 8.210 nan 0.000 0.441 266 N N 4.883 123.451 118.700 -0.220 0.000 2.500 266 N HA 0.153 5.209 4.740 0.526 0.000 0.236 266 N C 0.648 176.096 175.510 -0.103 0.000 1.022 266 N CA -0.254 52.706 53.050 -0.151 0.000 0.935 266 N CB 0.870 39.278 38.487 -0.131 0.000 1.147 266 N HN 0.553 nan 8.380 nan 0.000 0.512 267 C N 1.723 120.967 119.300 -0.093 0.000 2.440 267 C HA 0.047 4.823 4.460 0.526 0.000 0.278 267 C C 0.561 175.549 174.990 -0.004 0.000 1.295 267 C CA 0.055 59.065 59.018 -0.013 0.000 1.738 267 C CB -1.000 26.747 27.740 0.012 0.000 1.987 267 C HN 0.761 nan 8.230 nan 0.000 0.492 268 E N 0.099 120.248 120.200 -0.084 0.000 2.297 268 E HA -0.223 4.442 4.350 0.526 0.000 0.228 268 E C -0.071 176.634 176.600 0.175 0.000 1.213 268 E CA 0.668 57.073 56.400 0.008 0.000 0.712 268 E CB -1.595 28.119 29.700 0.023 0.000 1.202 268 E HN 0.960 nan 8.360 nan 0.000 0.376 269 Y N -2.175 118.249 120.300 0.207 0.000 2.477 269 Y HA 0.431 5.296 4.550 0.526 0.000 0.303 269 Y C 1.748 177.873 175.900 0.374 0.000 1.202 269 Y CA -0.199 58.059 58.100 0.263 0.000 1.282 269 Y CB -0.841 37.818 38.460 0.331 0.000 1.071 269 Y HN 0.019 nan 8.280 nan 0.000 0.510 270 G N 0.706 109.894 108.800 0.646 0.000 2.479 270 G HA2 -0.256 4.020 3.960 0.526 0.000 0.220 270 G HA3 -0.256 4.020 3.960 0.526 0.000 0.220 270 G C 1.536 176.654 174.900 0.364 0.000 1.115 270 G CA 1.103 46.507 45.100 0.507 0.000 0.757 270 G HN 0.545 nan 8.290 nan 0.000 0.560 271 S N -0.460 115.406 115.700 0.276 0.000 2.593 271 S HA 0.249 5.035 4.470 0.526 0.000 0.217 271 S C 0.666 175.333 174.600 0.112 0.000 0.966 271 S CA -0.811 57.484 58.200 0.158 0.000 0.914 271 S CB -0.272 62.994 63.200 0.109 0.000 0.776 271 S HN 0.199 nan 8.310 nan 0.000 0.523 272 F N 3.967 123.890 119.950 -0.045 0.000 2.623 272 F HA 0.205 5.054 4.527 0.536 0.000 0.383 272 F C 0.817 176.497 175.800 -0.201 0.000 1.077 272 F CA 0.134 57.946 58.000 -0.314 0.000 1.268 272 F CB -0.349 38.080 39.000 -0.953 0.000 1.053 272 F HN 0.307 nan 8.300 nan 0.000 0.571 273 D N 3.533 123.379 120.400 -0.924 0.000 2.870 273 D HA -0.268 4.687 4.640 0.526 0.000 0.228 273 D C 0.746 176.784 176.300 -0.437 0.000 1.147 273 D CA 1.021 54.532 54.000 -0.815 0.000 0.757 273 D CB -1.363 38.728 40.800 -1.182 0.000 1.091 273 D HN 0.690 nan 8.370 nan 0.000 0.429 274 N N 0.076 118.576 118.700 -0.332 0.000 2.348 274 N HA -0.142 4.913 4.740 0.526 0.000 0.185 274 N C 1.316 176.392 175.510 -0.724 0.000 1.019 274 N CA 1.277 54.085 53.050 -0.403 0.000 0.880 274 N CB -0.053 38.308 38.487 -0.211 0.000 0.965 274 N HN 0.539 nan 8.380 nan 0.000 0.437 275 E N -0.172 119.747 120.200 -0.469 0.000 2.418 275 E HA -0.044 4.621 4.350 0.526 0.000 0.197 275 E C -0.347 176.052 176.600 -0.335 0.000 1.026 275 E CA 0.248 56.430 56.400 -0.363 0.000 0.862 275 E CB -0.216 29.377 29.700 -0.178 0.000 0.799 275 E HN 0.315 nan 8.360 nan 0.000 0.518 276 H N -1.385 117.593 119.070 -0.154 0.000 2.819 276 H HA -0.167 4.705 4.556 0.526 0.000 0.323 276 H C 0.408 175.640 175.328 -0.159 0.000 1.243 276 H CA 0.776 56.735 56.048 -0.149 0.000 1.163 276 H CB -1.926 27.775 29.762 -0.102 0.000 1.493 276 H HN 0.239 nan 8.280 nan 0.000 0.434 277 L N -0.470 120.666 121.223 -0.145 0.000 2.515 277 L HA 0.065 4.720 4.340 0.526 0.000 0.223 277 L C 2.095 178.823 176.870 -0.236 0.000 1.079 277 L CA 0.978 55.690 54.840 -0.213 0.000 0.857 277 L CB 0.486 42.339 42.059 -0.343 0.000 1.050 277 L HN 0.336 nan 8.230 nan 0.000 0.476 278 V N -5.056 114.726 119.914 -0.219 0.000 3.245 278 V HA 0.246 4.682 4.120 0.526 0.000 0.246 278 V C 0.758 176.826 176.094 -0.044 0.000 1.487 278 V CA -0.372 61.845 62.300 -0.137 0.000 1.154 278 V CB 0.141 31.898 31.823 -0.110 0.000 0.971 278 V HN -0.017 nan 8.190 nan 0.000 0.443 279 L N 3.588 124.782 121.223 -0.049 0.000 2.456 279 L HA 0.334 4.989 4.340 0.526 0.000 0.272 279 L C -1.796 175.087 176.870 0.021 0.000 1.189 279 L CA -1.073 53.788 54.840 0.036 0.000 0.846 279 L CB 0.346 42.441 42.059 0.059 0.000 1.111 279 L HN 0.202 nan 8.230 nan 0.000 0.475 280 P HA 0.134 nan 4.420 nan 0.000 0.220 280 P C -0.623 176.685 177.300 0.014 0.000 1.806 280 P CA -0.278 62.834 63.100 0.020 0.000 0.976 280 P CB -0.056 31.668 31.700 0.039 0.000 1.952 281 R N 0.775 121.266 120.500 -0.015 0.000 2.537 281 R HA 0.233 4.889 4.340 0.526 0.000 0.280 281 R C 1.245 177.512 176.300 -0.055 0.000 1.058 281 R CA 0.187 56.270 56.100 -0.029 0.000 1.057 281 R CB 0.294 30.538 30.300 -0.093 0.000 0.973 281 R HN 0.333 nan 8.270 nan 0.000 0.438 282 T N -1.572 112.965 114.554 -0.029 0.000 2.849 282 T HA 0.148 4.814 4.350 0.526 0.000 0.276 282 T C 1.243 175.854 174.700 -0.149 0.000 0.971 282 T CA -0.912 61.132 62.100 -0.092 0.000 0.949 282 T CB 1.118 69.960 68.868 -0.043 0.000 1.093 282 T HN 0.656 nan 8.240 nan 0.000 0.545 283 K N -0.375 119.838 120.400 -0.311 0.000 2.209 283 K HA -0.162 4.474 4.320 0.526 0.000 0.204 283 K C 1.495 177.886 176.600 -0.349 0.000 1.048 283 K CA 1.448 57.510 56.287 -0.374 0.000 0.940 283 K CB -0.662 31.546 32.500 -0.487 0.000 0.729 283 K HN 0.664 nan 8.250 nan 0.000 0.451 284 Y N 2.419 122.722 120.300 0.005 0.000 2.220 284 Y HA -0.075 4.790 4.550 0.525 0.000 0.291 284 Y C 1.990 177.910 175.900 0.033 0.000 1.129 284 Y CA 1.030 59.156 58.100 0.044 0.000 1.161 284 Y CB -0.379 38.151 38.460 0.116 0.000 0.997 284 Y HN 0.113 nan 8.280 nan 0.000 0.522 285 D N -0.144 120.352 120.400 0.160 0.000 2.144 285 D HA -0.140 4.816 4.640 0.526 0.000 0.199 285 D C 2.286 178.576 176.300 -0.016 0.000 0.984 285 D CA 1.370 55.408 54.000 0.063 0.000 0.834 285 D CB -0.261 40.565 40.800 0.043 0.000 0.955 285 D HN 0.213 nan 8.370 nan 0.000 0.465 286 V N 1.513 121.393 119.914 -0.058 0.000 2.343 286 V HA -0.213 4.223 4.120 0.526 0.000 0.247 286 V C 2.571 178.643 176.094 -0.037 0.000 1.051 286 V CA 1.033 63.279 62.300 -0.090 0.000 1.036 286 V CB -0.333 31.416 31.823 -0.123 0.000 0.654 286 V HN 0.155 nan 8.190 nan 0.000 0.451 287 I N -0.383 120.181 120.570 -0.010 0.000 2.163 287 I HA -0.280 4.206 4.170 0.526 0.000 0.243 287 I C 2.327 178.480 176.117 0.060 0.000 1.085 287 I CA 1.858 63.175 61.300 0.028 0.000 1.347 287 I CB -0.327 37.704 38.000 0.052 0.000 1.044 287 I HN 0.225 nan 8.210 nan 0.000 0.408 288 I N 0.595 121.211 120.570 0.075 0.000 2.151 288 I HA -0.363 4.122 4.170 0.526 0.000 0.243 288 I C 2.296 178.479 176.117 0.109 0.000 1.080 288 I CA 1.776 63.147 61.300 0.118 0.000 1.339 288 I CB -0.427 37.635 38.000 0.104 0.000 1.039 288 I HN 0.322 nan 8.210 nan 0.000 0.409 289 D N 0.780 121.202 120.400 0.037 0.000 2.097 289 D HA -0.190 4.765 4.640 0.526 0.000 0.197 289 D C 2.077 178.411 176.300 0.057 0.000 0.984 289 D CA 1.425 55.443 54.000 0.031 0.000 0.826 289 D CB -0.014 40.775 40.800 -0.018 0.000 0.973 289 D HN 0.300 nan 8.370 nan 0.000 0.460 290 E N -0.088 120.137 120.200 0.040 0.000 2.160 290 E HA -0.162 4.504 4.350 0.526 0.000 0.195 290 E C 1.640 178.281 176.600 0.070 0.000 0.991 290 E CA 0.912 57.339 56.400 0.045 0.000 0.810 290 E CB -0.020 29.695 29.700 0.026 0.000 0.742 290 E HN 0.501 nan 8.360 nan 0.000 0.466 291 E N 0.614 120.873 120.200 0.097 0.000 2.479 291 E HA 0.008 4.674 4.350 0.526 0.000 0.193 291 E C 0.475 177.173 176.600 0.164 0.000 1.049 291 E CA -0.129 56.346 56.400 0.125 0.000 0.870 291 E CB 0.490 30.274 29.700 0.139 0.000 0.944 291 E HN 0.080 nan 8.360 nan 0.000 0.492 292 S N 0.724 116.522 115.700 0.164 0.000 2.645 292 S HA 0.154 4.940 4.470 0.526 0.000 0.266 292 S C -1.802 172.870 174.600 0.120 0.000 1.258 292 S CA -1.219 57.090 58.200 0.182 0.000 0.990 292 S CB 1.104 64.420 63.200 0.193 0.000 0.967 292 S HN -0.249 nan 8.310 nan 0.000 0.556 293 P HA 0.022 nan 4.420 nan 0.000 0.218 293 P C 0.081 177.420 177.300 0.065 0.000 1.149 293 P CA 1.036 64.177 63.100 0.069 0.000 0.817 293 P CB 0.086 31.814 31.700 0.048 0.000 0.785 294 R N -0.868 119.676 120.500 0.073 0.000 2.564 294 R HA 0.305 4.961 4.340 0.526 0.000 0.282 294 R C -2.678 173.664 176.300 0.069 0.000 1.573 294 R CA -1.858 54.280 56.100 0.064 0.000 1.588 294 R CB 0.977 31.312 30.300 0.058 0.000 1.154 294 R HN 0.077 nan 8.270 nan 0.000 0.606 295 P HA -0.018 nan 4.420 nan 0.000 0.264 295 P C 0.837 178.181 177.300 0.073 0.000 1.193 295 P CA 1.037 64.178 63.100 0.069 0.000 0.763 295 P CB 0.828 32.564 31.700 0.059 0.000 0.810 296 G N 0.956 109.818 108.800 0.102 0.000 2.175 296 G HA2 -0.183 4.092 3.960 0.526 0.000 0.244 296 G HA3 -0.183 4.092 3.960 0.526 0.000 0.244 296 G C 0.102 175.039 174.900 0.061 0.000 0.982 296 G CA -0.291 44.882 45.100 0.122 0.000 0.641 296 G HN 0.518 nan 8.290 nan 0.000 0.527 297 Q N -0.480 119.357 119.800 0.063 0.000 2.241 297 Q HA 0.597 5.253 4.340 0.526 0.000 0.262 297 Q C 0.644 176.684 176.000 0.068 0.000 1.014 297 Q CA -0.599 55.234 55.803 0.050 0.000 0.885 297 Q CB 0.825 29.593 28.738 0.050 0.000 1.311 297 Q HN 0.318 nan 8.270 nan 0.000 0.461 298 Q N -0.715 119.131 119.800 0.076 0.000 2.453 298 Q HA -0.255 4.400 4.340 0.526 0.000 0.294 298 Q C 0.667 176.726 176.000 0.098 0.000 1.295 298 Q CA 0.854 56.721 55.803 0.106 0.000 0.853 298 Q CB -2.155 26.650 28.738 0.112 0.000 1.193 298 Q HN 0.820 nan 8.270 nan 0.000 0.461 299 A N -0.178 122.699 122.820 0.095 0.000 1.883 299 A HA -0.181 4.455 4.320 0.526 0.000 0.217 299 A C 1.573 179.239 177.584 0.136 0.000 1.186 299 A CA 1.634 53.732 52.037 0.101 0.000 0.624 299 A CB -0.537 18.517 19.000 0.090 0.000 0.822 299 A HN 0.424 nan 8.150 nan 0.000 0.444 300 F N 0.754 120.719 119.950 0.025 0.000 2.186 300 F HA -0.082 4.759 4.527 0.522 0.000 0.299 300 F C 2.231 178.105 175.800 0.123 0.000 1.090 300 F CA 1.776 59.830 58.000 0.090 0.000 1.307 300 F CB -0.293 38.809 39.000 0.170 0.000 1.019 300 F HN 0.482 nan 8.300 nan 0.000 0.489 301 E N 0.457 120.732 120.200 0.125 0.000 2.077 301 E HA -0.265 4.400 4.350 0.526 0.000 0.193 301 E C 2.064 178.679 176.600 0.025 0.000 0.989 301 E CA 1.517 57.963 56.400 0.077 0.000 0.800 301 E CB -0.170 29.639 29.700 0.183 0.000 0.746 301 E HN 0.416 nan 8.360 nan 0.000 0.452 302 K N -0.480 119.856 120.400 -0.106 0.000 2.209 302 K HA -0.057 4.579 4.320 0.526 0.000 0.204 302 K C 1.932 178.369 176.600 -0.271 0.000 1.048 302 K CA 1.114 57.104 56.287 -0.495 0.000 0.940 302 K CB 0.050 32.260 32.500 -0.483 0.000 0.729 302 K HN 0.237 nan 8.250 nan 0.000 0.451 303 M N 0.014 119.540 119.600 -0.123 0.000 2.556 303 M HA 0.003 4.799 4.480 0.526 0.000 0.245 303 M C 1.543 177.790 176.300 -0.088 0.000 1.128 303 M CA 1.084 56.348 55.300 -0.060 0.000 1.069 303 M CB 0.098 32.705 32.600 0.012 0.000 1.469 303 M HN 0.213 nan 8.290 nan 0.000 0.494 304 T N -4.879 109.580 114.554 -0.158 0.000 2.966 304 T HA 0.131 4.797 4.350 0.526 0.000 0.254 304 T C 0.899 175.595 174.700 -0.007 0.000 0.961 304 T CA -0.030 61.975 62.100 -0.158 0.000 0.915 304 T CB 0.196 68.790 68.868 -0.456 0.000 1.186 304 T HN 0.151 nan 8.240 nan 0.000 0.505 305 S N 0.737 116.502 115.700 0.109 0.000 2.576 305 S HA 0.473 5.258 4.470 0.526 0.000 0.276 305 S C 1.791 176.504 174.600 0.188 0.000 1.339 305 S CA 0.096 58.408 58.200 0.188 0.000 1.039 305 S CB 0.647 64.048 63.200 0.335 0.000 0.902 305 S HN 0.488 nan 8.310 nan 0.000 0.516 306 G N 2.639 111.502 108.800 0.105 0.000 2.470 306 G HA2 -0.198 4.078 3.960 0.526 0.000 0.220 306 G HA3 -0.198 4.078 3.960 0.526 0.000 0.220 306 G C 1.038 176.000 174.900 0.104 0.000 1.121 306 G CA 0.769 45.917 45.100 0.080 0.000 0.766 306 G HN 0.907 nan 8.290 nan 0.000 0.553 307 Y N 0.494 120.760 120.300 -0.058 0.000 2.333 307 Y HA -0.122 4.743 4.550 0.526 0.000 0.290 307 Y C 1.760 177.528 175.900 -0.220 0.000 1.144 307 Y CA 1.192 59.152 58.100 -0.233 0.000 1.228 307 Y CB 0.027 38.185 38.460 -0.503 0.000 0.985 307 Y HN 0.327 nan 8.280 nan 0.000 0.542 308 Y N -1.481 118.885 120.300 0.110 0.000 2.449 308 Y HA 0.118 4.982 4.550 0.524 0.000 0.254 308 Y C 1.839 177.725 175.900 -0.023 0.000 1.140 308 Y CA -0.119 58.020 58.100 0.066 0.000 1.272 308 Y CB -0.074 38.480 38.460 0.155 0.000 1.114 308 Y HN 0.007 nan 8.280 nan 0.000 0.525 309 L N -0.584 120.695 121.223 0.094 0.000 2.046 309 L HA -0.149 4.506 4.340 0.526 0.000 0.208 309 L C 2.579 179.442 176.870 -0.012 0.000 1.077 309 L CA 1.608 56.468 54.840 0.034 0.000 0.747 309 L CB -0.936 41.148 42.059 0.041 0.000 0.896 309 L HN 0.373 nan 8.230 nan 0.000 0.432 310 G N -0.396 108.385 108.800 -0.032 0.000 2.408 310 G HA2 -0.290 3.985 3.960 0.526 0.000 0.217 310 G HA3 -0.290 3.985 3.960 0.526 0.000 0.217 310 G C 1.462 176.252 174.900 -0.182 0.000 1.150 310 G CA 0.760 45.801 45.100 -0.098 0.000 0.776 310 G HN 0.318 nan 8.290 nan 0.000 0.542 311 E N 0.670 120.739 120.200 -0.218 0.000 2.077 311 E HA -0.087 4.579 4.350 0.526 0.000 0.193 311 E C 2.392 178.902 176.600 -0.150 0.000 0.989 311 E CA 0.809 57.028 56.400 -0.303 0.000 0.800 311 E CB -0.352 29.043 29.700 -0.507 0.000 0.746 311 E HN 0.520 nan 8.360 nan 0.000 0.452 312 I N -0.067 120.464 120.570 -0.065 0.000 2.163 312 I HA -0.328 4.157 4.170 0.526 0.000 0.243 312 I C 2.492 178.537 176.117 -0.121 0.000 1.085 312 I CA 1.380 62.656 61.300 -0.039 0.000 1.347 312 I CB -0.304 37.672 38.000 -0.039 0.000 1.044 312 I HN 0.220 nan 8.210 nan 0.000 0.408 313 M N -0.380 119.144 119.600 -0.127 0.000 2.117 313 M HA -0.227 4.569 4.480 0.526 0.000 0.262 313 M C 2.528 178.783 176.300 -0.075 0.000 1.065 313 M CA 1.651 56.891 55.300 -0.101 0.000 1.114 313 M CB -0.534 32.048 32.600 -0.030 0.000 1.361 313 M HN 0.153 nan 8.290 nan 0.000 0.408 314 R N 1.037 121.475 120.500 -0.102 0.000 2.083 314 R HA -0.145 4.511 4.340 0.526 0.000 0.237 314 R C 1.981 178.252 176.300 -0.048 0.000 1.137 314 R CA 1.486 57.534 56.100 -0.087 0.000 0.951 314 R CB -0.299 29.896 30.300 -0.176 0.000 0.851 314 R HN 0.366 nan 8.270 nan 0.000 0.434 315 L N -0.026 121.158 121.223 -0.065 0.000 2.093 315 L HA -0.129 4.527 4.340 0.526 0.000 0.208 315 L C 2.413 179.239 176.870 -0.074 0.000 1.085 315 L CA 0.673 55.519 54.840 0.011 0.000 0.755 315 L CB -0.261 41.878 42.059 0.134 0.000 0.904 315 L HN 0.068 nan 8.230 nan 0.000 0.435 316 V N 0.172 119.876 119.914 -0.350 0.000 2.295 316 V HA -0.276 4.159 4.120 0.526 0.000 0.246 316 V C 2.395 178.426 176.094 -0.106 0.000 1.049 316 V CA 1.612 63.629 62.300 -0.472 0.000 1.024 316 V CB -0.353 31.212 31.823 -0.430 0.000 0.648 316 V HN 0.338 nan 8.190 nan 0.000 0.447 317 L N -0.785 120.417 121.223 -0.035 0.000 2.046 317 L HA -0.187 4.468 4.340 0.526 0.000 0.208 317 L C 2.409 179.340 176.870 0.103 0.000 1.077 317 L CA 1.447 56.310 54.840 0.037 0.000 0.747 317 L CB -0.548 41.614 42.059 0.171 0.000 0.896 317 L HN 0.303 nan 8.230 nan 0.000 0.432 318 L N -0.444 120.850 121.223 0.118 0.000 2.083 318 L HA -0.238 4.418 4.340 0.526 0.000 0.209 318 L C 2.305 179.300 176.870 0.208 0.000 1.083 318 L CA 1.140 56.081 54.840 0.169 0.000 0.752 318 L CB -0.524 41.608 42.059 0.122 0.000 0.899 318 L HN 0.289 nan 8.230 nan 0.000 0.433 319 D N 0.305 120.818 120.400 0.189 0.000 2.117 319 D HA -0.161 4.795 4.640 0.526 0.000 0.197 319 D C 2.293 178.706 176.300 0.189 0.000 0.987 319 D CA 1.249 55.378 54.000 0.215 0.000 0.829 319 D CB 0.002 41.006 40.800 0.339 0.000 0.961 319 D HN 0.191 nan 8.370 nan 0.000 0.460 320 L N -0.507 120.815 121.223 0.165 0.000 2.083 320 L HA -0.178 4.478 4.340 0.526 0.000 0.209 320 L C 2.379 179.336 176.870 0.145 0.000 1.083 320 L CA 1.077 56.031 54.840 0.190 0.000 0.752 320 L CB -0.562 41.536 42.059 0.065 0.000 0.899 320 L HN 0.152 nan 8.230 nan 0.000 0.433 321 Y N 0.948 121.245 120.300 -0.004 0.000 2.163 321 Y HA -0.315 4.551 4.550 0.526 0.000 0.288 321 Y C 2.283 178.182 175.900 -0.000 0.000 1.136 321 Y CA 2.036 60.134 58.100 -0.004 0.000 1.147 321 Y CB -0.210 38.292 38.460 0.069 0.000 0.987 321 Y HN 0.235 nan 8.280 nan 0.000 0.509 322 D N -0.918 119.522 120.400 0.065 0.000 2.219 322 D HA -0.136 4.820 4.640 0.526 0.000 0.205 322 D C 1.681 177.897 176.300 -0.140 0.000 0.970 322 D CA 1.518 55.497 54.000 -0.036 0.000 0.851 322 D CB -0.108 40.745 40.800 0.087 0.000 0.943 322 D HN 0.292 nan 8.370 nan 0.000 0.488 323 S N -1.301 114.322 115.700 -0.128 0.000 2.593 323 S HA 0.299 5.084 4.470 0.526 0.000 0.217 323 S C 1.453 175.683 174.600 -0.617 0.000 0.966 323 S CA 0.474 58.515 58.200 -0.265 0.000 0.914 323 S CB 0.552 63.713 63.200 -0.065 0.000 0.776 323 S HN 0.535 nan 8.310 nan 0.000 0.523 324 G N 0.610 109.110 108.800 -0.499 0.000 2.141 324 G HA2 -0.253 4.023 3.960 0.526 0.000 0.242 324 G HA3 -0.253 4.023 3.960 0.526 0.000 0.242 324 G C 0.398 175.031 174.900 -0.446 0.000 0.982 324 G CA 0.072 44.870 45.100 -0.504 0.000 0.662 324 G HN 0.518 nan 8.290 nan 0.000 0.527 325 F N 0.505 120.378 119.950 -0.128 0.000 2.530 325 F HA 0.446 5.288 4.527 0.526 0.000 0.292 325 F C 1.692 177.419 175.800 -0.122 0.000 1.109 325 F CA 0.755 58.691 58.000 -0.107 0.000 1.450 325 F CB 0.199 39.140 39.000 -0.099 0.000 1.114 325 F HN 0.469 nan 8.300 nan 0.000 0.560 326 I N -6.310 114.267 120.570 0.010 0.000 3.074 326 I HA 0.414 4.900 4.170 0.526 0.000 0.310 326 I C -0.588 175.566 176.117 0.062 0.000 1.153 326 I CA -1.288 59.938 61.300 -0.124 0.000 0.993 326 I CB 1.730 39.400 38.000 -0.550 0.000 1.237 326 I HN -0.136 nan 8.210 nan 0.000 0.443 327 F N 0.814 120.867 119.950 0.173 0.000 3.090 327 F HA -0.208 4.634 4.527 0.525 0.000 0.282 327 F C 1.300 177.258 175.800 0.264 0.000 0.923 327 F CA 0.575 58.697 58.000 0.204 0.000 0.977 327 F CB -2.275 36.856 39.000 0.219 0.000 0.954 327 F HN 0.680 nan 8.300 nan 0.000 0.695 328 K N 0.314 120.894 120.400 0.301 0.000 2.147 328 K HA -0.156 4.479 4.320 0.526 0.000 0.205 328 K C 1.340 178.051 176.600 0.186 0.000 1.049 328 K CA 1.665 58.056 56.287 0.174 0.000 0.936 328 K CB -0.113 32.428 32.500 0.067 0.000 0.722 328 K HN 0.498 nan 8.250 nan 0.000 0.446 329 D N -0.110 120.396 120.400 0.176 0.000 2.501 329 D HA 0.005 4.960 4.640 0.526 0.000 0.226 329 D C -0.085 176.290 176.300 0.125 0.000 1.198 329 D CA -0.116 53.961 54.000 0.128 0.000 0.830 329 D CB 0.198 41.049 40.800 0.085 0.000 1.014 329 D HN -0.138 nan 8.370 nan 0.000 0.496 330 Q N 0.540 120.443 119.800 0.172 0.000 2.235 330 Q HA 0.270 4.926 4.340 0.526 0.000 0.256 330 Q C -0.684 175.357 176.000 0.067 0.000 0.951 330 Q CA -0.515 55.344 55.803 0.094 0.000 0.890 330 Q CB 1.848 30.618 28.738 0.053 0.000 1.279 330 Q HN 0.101 nan 8.270 nan 0.000 0.444 331 D N 2.002 122.407 120.400 0.008 0.000 2.352 331 D HA 0.121 5.077 4.640 0.526 0.000 0.245 331 D C 0.558 176.808 176.300 -0.083 0.000 1.224 331 D CA -0.320 53.669 54.000 -0.018 0.000 0.879 331 D CB 0.168 40.961 40.800 -0.012 0.000 1.057 331 D HN 0.568 nan 8.370 nan 0.000 0.491 332 I N 0.710 121.190 120.570 -0.150 0.000 3.806 332 I HA 0.131 4.617 4.170 0.526 0.000 0.321 332 I C 1.324 177.350 176.117 -0.151 0.000 1.315 332 I CA -0.463 60.709 61.300 -0.213 0.000 1.148 332 I CB 0.096 37.847 38.000 -0.416 0.000 1.028 332 I HN 0.004 nan 8.210 nan 0.000 0.415 333 S N 1.928 117.570 115.700 -0.097 0.000 2.380 333 S HA -0.212 4.574 4.470 0.526 0.000 0.229 333 S C 1.899 176.459 174.600 -0.066 0.000 1.043 333 S CA 1.822 59.983 58.200 -0.065 0.000 1.038 333 S CB -0.269 62.907 63.200 -0.039 0.000 0.872 333 S HN 0.599 nan 8.310 nan 0.000 0.456 334 K N 0.281 120.636 120.400 -0.075 0.000 2.283 334 K HA 0.040 4.676 4.320 0.526 0.000 0.202 334 K C 1.800 178.342 176.600 -0.096 0.000 1.048 334 K CA 0.520 56.761 56.287 -0.077 0.000 0.948 334 K CB -0.203 32.251 32.500 -0.078 0.000 0.742 334 K HN 0.193 nan 8.250 nan 0.000 0.458 335 L N 1.394 122.555 121.223 -0.103 0.000 2.395 335 L HA -0.065 4.590 4.340 0.526 0.000 0.218 335 L C 1.207 178.029 176.870 -0.080 0.000 1.130 335 L CA 1.523 56.303 54.840 -0.100 0.000 0.826 335 L CB 0.015 42.038 42.059 -0.060 0.000 0.941 335 L HN -0.073 nan 8.230 nan 0.000 0.451 336 K N -0.126 120.235 120.400 -0.065 0.000 2.487 336 K HA -0.013 4.623 4.320 0.526 0.000 0.192 336 K C 0.344 176.923 176.600 -0.035 0.000 1.027 336 K CA 0.038 56.301 56.287 -0.040 0.000 1.054 336 K CB 0.080 32.564 32.500 -0.026 0.000 0.824 336 K HN 0.331 nan 8.250 nan 0.000 0.510 337 E N 1.681 121.851 120.200 -0.050 0.000 2.130 337 E HA 0.241 4.906 4.350 0.526 0.000 0.284 337 E C -0.863 175.709 176.600 -0.048 0.000 1.018 337 E CA -0.547 55.834 56.400 -0.033 0.000 0.817 337 E CB 0.861 30.542 29.700 -0.031 0.000 1.078 337 E HN 0.132 nan 8.360 nan 0.000 0.396 338 A N 4.328 127.142 122.820 -0.010 0.000 2.540 338 A HA 0.020 4.656 4.320 0.526 0.000 0.239 338 A C -0.337 177.267 177.584 0.034 0.000 1.061 338 A CA 0.379 52.394 52.037 -0.036 0.000 0.758 338 A CB -0.391 18.666 19.000 0.095 0.000 0.991 338 A HN 0.960 nan 8.150 nan 0.000 0.502 339 Y N -0.463 119.783 120.300 -0.091 0.000 4.798 339 Y HA -0.246 4.619 4.550 0.526 0.000 0.237 339 Y C 1.532 177.333 175.900 -0.166 0.000 1.017 339 Y CA 0.891 58.897 58.100 -0.156 0.000 2.010 339 Y CB -2.103 36.275 38.460 -0.137 0.000 1.582 339 Y HN 0.478 nan 8.280 nan 0.000 0.621 340 V N 0.371 120.216 119.914 -0.116 0.000 2.490 340 V HA -0.183 4.252 4.120 0.526 0.000 0.250 340 V C 1.251 177.172 176.094 -0.290 0.000 1.061 340 V CA 2.154 64.365 62.300 -0.148 0.000 1.064 340 V CB -0.138 31.592 31.823 -0.156 0.000 0.670 340 V HN 0.304 nan 8.190 nan 0.000 0.461 341 M N 1.884 121.204 119.600 -0.467 0.000 2.069 341 M HA 0.288 5.084 4.480 0.526 0.000 0.349 341 M C -0.195 175.913 176.300 -0.320 0.000 1.194 341 M CA -0.516 54.313 55.300 -0.786 0.000 1.081 341 M CB 0.828 32.852 32.600 -0.959 0.000 1.500 341 M HN 0.380 nan 8.290 nan 0.000 0.438 342 D N 1.265 121.620 120.400 -0.075 0.000 2.478 342 D HA 0.192 5.147 4.640 0.526 0.000 0.274 342 D C 0.790 177.140 176.300 0.082 0.000 1.234 342 D CA -0.540 53.455 54.000 -0.009 0.000 1.069 342 D CB 0.163 40.983 40.800 0.033 0.000 1.113 342 D HN 0.409 nan 8.370 nan 0.000 0.571 343 T N -1.119 113.478 114.554 0.073 0.000 2.929 343 T HA -0.151 4.515 4.350 0.526 0.000 0.271 343 T C 1.769 176.558 174.700 0.148 0.000 1.085 343 T CA 1.569 63.748 62.100 0.130 0.000 1.125 343 T CB -0.560 68.388 68.868 0.134 0.000 0.874 343 T HN 0.570 nan 8.240 nan 0.000 0.494 344 S N 0.482 116.252 115.700 0.117 0.000 2.442 344 S HA -0.123 4.662 4.470 0.526 0.000 0.236 344 S C 1.678 176.281 174.600 0.006 0.000 1.007 344 S CA 0.506 58.727 58.200 0.035 0.000 0.965 344 S CB -0.669 62.523 63.200 -0.015 0.000 0.773 344 S HN 0.494 nan 8.310 nan 0.000 0.504 345 Y N 3.043 123.326 120.300 -0.028 0.000 2.092 345 Y HA 0.062 4.927 4.550 0.525 0.000 0.282 345 Y C -0.185 175.727 175.900 0.021 0.000 1.126 345 Y CA 1.204 59.292 58.100 -0.019 0.000 1.111 345 Y CB -1.712 36.721 38.460 -0.044 0.000 0.987 345 Y HN 0.275 nan 8.280 nan 0.000 0.489 346 P HA -0.161 nan 4.420 nan 0.000 0.218 346 P C 1.766 179.072 177.300 0.009 0.000 1.149 346 P CA 1.935 65.138 63.100 0.171 0.000 0.817 346 P CB 0.008 31.872 31.700 0.272 0.000 0.785 347 S N 0.091 115.736 115.700 -0.092 0.000 2.348 347 S HA -0.144 4.642 4.470 0.526 0.000 0.221 347 S C 1.965 176.431 174.600 -0.222 0.000 1.033 347 S CA 1.434 59.427 58.200 -0.346 0.000 1.010 347 S CB -0.581 62.464 63.200 -0.259 0.000 0.891 347 S HN 0.078 nan 8.310 nan 0.000 0.442 348 K N 0.278 120.592 120.400 -0.142 0.000 2.097 348 K HA 0.021 4.657 4.320 0.526 0.000 0.206 348 K C 2.016 178.560 176.600 -0.094 0.000 1.049 348 K CA 1.451 57.659 56.287 -0.131 0.000 0.933 348 K CB -0.289 32.120 32.500 -0.153 0.000 0.717 348 K HN 0.438 nan 8.250 nan 0.000 0.442 349 I N 1.214 121.758 120.570 -0.044 0.000 2.202 349 I HA -0.241 4.245 4.170 0.526 0.000 0.242 349 I C 2.125 178.222 176.117 -0.033 0.000 1.091 349 I CA 1.306 62.606 61.300 0.000 0.000 1.368 349 I CB -0.157 37.891 38.000 0.081 0.000 1.058 349 I HN 0.174 nan 8.210 nan 0.000 0.410 350 E N 0.384 120.548 120.200 -0.061 0.000 2.268 350 E HA -0.207 4.458 4.350 0.526 0.000 0.195 350 E C 1.099 177.641 176.600 -0.097 0.000 0.995 350 E CA 0.863 57.221 56.400 -0.069 0.000 0.836 350 E CB -0.045 29.600 29.700 -0.091 0.000 0.763 350 E HN 0.430 nan 8.360 nan 0.000 0.491 351 D N 0.807 121.130 120.400 -0.128 0.000 2.349 351 D HA -0.051 4.905 4.640 0.526 0.000 0.215 351 D C 0.079 176.292 176.300 -0.144 0.000 1.016 351 D CA 0.299 54.218 54.000 -0.134 0.000 0.870 351 D CB -0.109 40.604 40.800 -0.145 0.000 0.917 351 D HN -0.022 nan 8.370 nan 0.000 0.524 352 D N 0.766 121.089 120.400 -0.128 0.000 2.434 352 D HA -0.028 4.928 4.640 0.526 0.000 0.252 352 D C -1.282 174.890 176.300 -0.214 0.000 1.185 352 D CA -1.158 52.750 54.000 -0.153 0.000 0.886 352 D CB 1.487 42.236 40.800 -0.084 0.000 1.148 352 D HN 0.086 nan 8.370 nan 0.000 0.483 353 P HA 0.034 nan 4.420 nan 0.000 0.226 353 P C -0.105 176.961 177.300 -0.391 0.000 1.161 353 P CA 0.313 63.101 63.100 -0.521 0.000 0.804 353 P CB 0.319 31.485 31.700 -0.891 0.000 0.829 354 F N -0.111 119.833 119.950 -0.008 0.000 2.541 354 F HA 0.365 5.209 4.527 0.527 0.000 0.331 354 F C 2.070 177.867 175.800 -0.006 0.000 1.057 354 F CA -1.749 56.247 58.000 -0.006 0.000 0.975 354 F CB 0.303 39.299 39.000 -0.006 0.000 1.246 354 F HN -0.219 nan 8.300 nan 0.000 0.484 355 E N 0.917 121.248 120.200 0.218 0.000 2.153 355 E HA -0.211 4.454 4.350 0.526 0.000 0.194 355 E C 1.264 177.914 176.600 0.082 0.000 0.988 355 E CA 1.562 58.025 56.400 0.106 0.000 0.811 355 E CB -0.086 29.659 29.700 0.074 0.000 0.746 355 E HN 0.680 nan 8.360 nan 0.000 0.466 356 N N 1.136 119.898 118.700 0.103 0.000 2.521 356 N HA -0.119 4.936 4.740 0.526 0.000 0.188 356 N C 0.415 175.967 175.510 0.070 0.000 1.146 356 N CA 0.503 53.596 53.050 0.072 0.000 0.893 356 N CB -0.196 38.331 38.487 0.066 0.000 0.975 356 N HN 0.235 nan 8.380 nan 0.000 0.451 357 L N 0.528 121.800 121.223 0.082 0.000 3.601 357 L HA -0.213 4.443 4.340 0.526 0.000 0.469 357 L C 0.932 177.828 176.870 0.043 0.000 1.294 357 L CA 0.175 55.039 54.840 0.041 0.000 0.829 357 L CB -1.515 40.554 42.059 0.018 0.000 1.628 357 L HN 0.241 nan 8.230 nan 0.000 0.868 358 E N -0.167 120.075 120.200 0.070 0.000 2.106 358 E HA -0.196 4.469 4.350 0.526 0.000 0.192 358 E C 1.260 177.879 176.600 0.032 0.000 0.984 358 E CA 1.534 57.973 56.400 0.065 0.000 0.806 358 E CB 0.069 29.835 29.700 0.110 0.000 0.750 358 E HN 0.650 nan 8.360 nan 0.000 0.458 359 D N 0.249 120.650 120.400 0.001 0.000 2.144 359 D HA -0.102 4.853 4.640 0.526 0.000 0.200 359 D C 1.932 178.235 176.300 0.005 0.000 0.978 359 D CA 1.192 55.179 54.000 -0.021 0.000 0.833 359 D CB -0.510 40.251 40.800 -0.064 0.000 0.961 359 D HN 0.067 nan 8.370 nan 0.000 0.470 360 T N 0.677 115.250 114.554 0.031 0.000 2.746 360 T HA -0.167 4.499 4.350 0.526 0.000 0.267 360 T C 1.504 176.293 174.700 0.148 0.000 1.039 360 T CA 1.427 63.590 62.100 0.105 0.000 1.142 360 T CB -0.255 68.651 68.868 0.064 0.000 0.866 360 T HN 0.087 nan 8.240 nan 0.000 0.444 361 D N 1.084 121.529 120.400 0.075 0.000 2.097 361 D HA -0.127 4.829 4.640 0.526 0.000 0.195 361 D C 1.951 178.304 176.300 0.088 0.000 0.989 361 D CA 1.188 55.231 54.000 0.072 0.000 0.827 361 D CB -0.445 40.380 40.800 0.042 0.000 0.966 361 D HN 0.260 nan 8.370 nan 0.000 0.456 362 D N -0.970 119.461 120.400 0.052 0.000 2.117 362 D HA -0.139 4.816 4.640 0.526 0.000 0.197 362 D C 2.130 178.437 176.300 0.012 0.000 0.987 362 D CA 0.590 54.604 54.000 0.024 0.000 0.829 362 D CB -0.293 40.506 40.800 -0.001 0.000 0.961 362 D HN 0.212 nan 8.370 nan 0.000 0.460 363 L N -0.576 120.652 121.223 0.009 0.000 2.012 363 L HA -0.103 4.553 4.340 0.526 0.000 0.210 363 L C 1.997 178.825 176.870 -0.069 0.000 1.073 363 L CA 1.688 56.472 54.840 -0.093 0.000 0.748 363 L CB -0.823 41.147 42.059 -0.149 0.000 0.891 363 L HN 0.023 nan 8.230 nan 0.000 0.431 364 F N 0.049 119.977 119.950 -0.037 0.000 2.146 364 F HA -0.146 4.696 4.527 0.526 0.000 0.298 364 F C 2.433 178.198 175.800 -0.057 0.000 1.096 364 F CA 1.576 59.562 58.000 -0.023 0.000 1.275 364 F CB -0.468 38.501 39.000 -0.052 0.000 1.008 364 F HN 0.030 nan 8.300 nan 0.000 0.480 365 K N -0.611 119.852 120.400 0.105 0.000 2.025 365 K HA -0.116 4.520 4.320 0.526 0.000 0.207 365 K C 2.027 178.625 176.600 -0.003 0.000 1.049 365 K CA 1.920 58.227 56.287 0.033 0.000 0.933 365 K CB -0.607 31.910 32.500 0.028 0.000 0.714 365 K HN 0.172 nan 8.250 nan 0.000 0.438 366 T N 1.066 115.612 114.554 -0.014 0.000 2.737 366 T HA -0.077 4.588 4.350 0.526 0.000 0.265 366 T C 1.408 176.083 174.700 -0.041 0.000 1.038 366 T CA 1.644 63.726 62.100 -0.030 0.000 1.144 366 T CB -0.206 68.638 68.868 -0.039 0.000 0.866 366 T HN 0.307 nan 8.240 nan 0.000 0.434 367 N N 0.046 118.711 118.700 -0.058 0.000 2.388 367 N HA 0.266 5.321 4.740 0.526 0.000 0.176 367 N C 1.221 176.701 175.510 -0.051 0.000 1.062 367 N CA 0.323 53.345 53.050 -0.046 0.000 0.895 367 N CB 0.280 38.748 38.487 -0.031 0.000 1.018 367 N HN 0.224 nan 8.380 nan 0.000 0.456 368 L N -0.341 120.832 121.223 -0.083 0.000 2.966 368 L HA 0.297 4.952 4.340 0.526 0.000 0.262 368 L C -0.463 176.357 176.870 -0.083 0.000 1.165 368 L CA -0.065 54.711 54.840 -0.108 0.000 0.978 368 L CB -0.055 41.888 42.059 -0.195 0.000 1.337 368 L HN 0.094 nan 8.230 nan 0.000 0.563 369 N N 0.869 119.535 118.700 -0.057 0.000 2.735 369 N HA -0.190 4.866 4.740 0.526 0.000 0.248 369 N C -0.441 175.032 175.510 -0.061 0.000 1.083 369 N CA 0.283 53.306 53.050 -0.046 0.000 0.703 369 N CB -1.129 37.333 38.487 -0.042 0.000 1.005 369 N HN 0.298 nan 8.380 nan 0.000 0.550 370 I N 0.882 121.413 120.570 -0.065 0.000 2.382 370 I HA 0.184 4.669 4.170 0.526 0.000 0.286 370 I C 0.272 176.343 176.117 -0.076 0.000 1.002 370 I CA -0.539 60.681 61.300 -0.134 0.000 1.135 370 I CB 1.271 39.094 38.000 -0.295 0.000 1.288 370 I HN 0.057 nan 8.210 nan 0.000 0.448 371 E N 4.779 124.940 120.200 -0.064 0.000 2.301 371 E HA 0.389 5.054 4.350 0.526 0.000 0.275 371 E C -0.381 176.209 176.600 -0.016 0.000 1.030 371 E CA -0.322 56.066 56.400 -0.019 0.000 0.852 371 E CB 1.546 31.249 29.700 0.006 0.000 1.060 371 E HN 0.609 nan 8.360 nan 0.000 0.401 372 T N -0.989 113.571 114.554 0.009 0.000 2.906 372 T HA 0.464 5.130 4.350 0.526 0.000 0.295 372 T C 0.136 174.866 174.700 0.051 0.000 1.075 372 T CA -1.073 61.056 62.100 0.050 0.000 1.005 372 T CB 1.606 70.464 68.868 -0.017 0.000 1.136 372 T HN 0.443 nan 8.240 nan 0.000 0.498 373 T N -0.878 113.717 114.554 0.069 0.000 2.881 373 T HA 0.435 5.100 4.350 0.526 0.000 0.278 373 T C 1.481 176.194 174.700 0.022 0.000 0.982 373 T CA -0.641 61.484 62.100 0.042 0.000 0.989 373 T CB 0.826 69.720 68.868 0.044 0.000 1.058 373 T HN 0.384 nan 8.240 nan 0.000 0.529 374 V N 1.645 121.569 119.914 0.015 0.000 2.343 374 V HA -0.172 4.264 4.120 0.526 0.000 0.247 374 V C 2.944 179.037 176.094 -0.002 0.000 1.051 374 V CA 2.114 64.419 62.300 0.008 0.000 1.036 374 V CB -1.125 30.705 31.823 0.011 0.000 0.654 374 V HN 0.890 nan 8.190 nan 0.000 0.451 375 V N -1.377 118.535 119.914 -0.003 0.000 2.407 375 V HA -0.250 4.185 4.120 0.526 0.000 0.248 375 V C 2.129 178.205 176.094 -0.029 0.000 1.055 375 V CA 2.109 64.399 62.300 -0.017 0.000 1.049 375 V CB -0.922 30.890 31.823 -0.018 0.000 0.662 375 V HN 0.586 nan 8.190 nan 0.000 0.455 376 E N 0.458 120.649 120.200 -0.016 0.000 2.077 376 E HA -0.157 4.509 4.350 0.526 0.000 0.193 376 E C 2.492 179.061 176.600 -0.052 0.000 0.989 376 E CA 1.445 57.827 56.400 -0.030 0.000 0.800 376 E CB -0.205 29.520 29.700 0.042 0.000 0.746 376 E HN 0.592 nan 8.360 nan 0.000 0.452 377 R N 0.882 121.354 120.500 -0.046 0.000 2.096 377 R HA -0.099 4.557 4.340 0.526 0.000 0.235 377 R C 2.217 178.490 176.300 -0.045 0.000 1.127 377 R CA 1.032 57.091 56.100 -0.068 0.000 0.968 377 R CB -0.137 30.135 30.300 -0.047 0.000 0.861 377 R HN 0.078 nan 8.270 nan 0.000 0.440 378 K N 0.862 121.242 120.400 -0.032 0.000 2.063 378 K HA -0.153 4.482 4.320 0.526 0.000 0.208 378 K C 2.175 178.753 176.600 -0.037 0.000 1.048 378 K CA 1.130 57.401 56.287 -0.027 0.000 0.928 378 K CB -0.249 32.237 32.500 -0.024 0.000 0.713 378 K HN 0.150 nan 8.250 nan 0.000 0.442 379 L N 1.233 122.422 121.223 -0.055 0.000 2.046 379 L HA -0.175 4.480 4.340 0.526 0.000 0.208 379 L C 2.130 178.972 176.870 -0.046 0.000 1.077 379 L CA 1.300 56.102 54.840 -0.064 0.000 0.747 379 L CB -0.117 41.885 42.059 -0.095 0.000 0.896 379 L HN 0.143 nan 8.230 nan 0.000 0.432 380 I N -0.403 120.135 120.570 -0.053 0.000 2.226 380 I HA -0.287 4.198 4.170 0.526 0.000 0.245 380 I C 2.715 178.837 176.117 0.008 0.000 1.100 380 I CA 1.119 62.403 61.300 -0.028 0.000 1.374 380 I CB -0.283 37.658 38.000 -0.097 0.000 1.057 380 I HN 0.296 nan 8.210 nan 0.000 0.413 381 R N 1.739 122.239 120.500 -0.001 0.000 2.075 381 R HA -0.203 4.453 4.340 0.526 0.000 0.232 381 R C 2.114 178.423 176.300 0.015 0.000 1.126 381 R CA 1.742 57.849 56.100 0.013 0.000 0.963 381 R CB -0.415 29.887 30.300 0.004 0.000 0.858 381 R HN 0.047 nan 8.270 nan 0.000 0.435 382 K N 0.078 120.481 120.400 0.005 0.000 2.097 382 K HA -0.088 4.547 4.320 0.526 0.000 0.206 382 K C 1.842 178.451 176.600 0.015 0.000 1.049 382 K CA 1.410 57.704 56.287 0.013 0.000 0.933 382 K CB -0.604 31.899 32.500 0.005 0.000 0.717 382 K HN 0.248 nan 8.250 nan 0.000 0.442 383 L N 0.309 121.533 121.223 0.003 0.000 2.046 383 L HA 0.006 4.662 4.340 0.526 0.000 0.208 383 L C 2.072 178.906 176.870 -0.061 0.000 1.077 383 L CA 2.194 57.018 54.840 -0.027 0.000 0.747 383 L CB -1.089 40.957 42.059 -0.023 0.000 0.896 383 L HN 0.209 nan 8.230 nan 0.000 0.432 384 A N -0.677 122.144 122.820 0.002 0.000 1.877 384 A HA -0.236 4.399 4.320 0.526 0.000 0.216 384 A C 2.165 179.786 177.584 0.062 0.000 1.186 384 A CA 1.871 53.935 52.037 0.045 0.000 0.620 384 A CB -0.695 18.358 19.000 0.088 0.000 0.822 384 A HN 0.619 nan 8.150 nan 0.000 0.443 385 E N -0.256 119.975 120.200 0.053 0.000 2.077 385 E HA -0.163 4.503 4.350 0.526 0.000 0.193 385 E C 1.970 178.591 176.600 0.035 0.000 0.989 385 E CA 1.204 57.644 56.400 0.066 0.000 0.800 385 E CB -0.301 29.429 29.700 0.050 0.000 0.746 385 E HN 0.623 nan 8.360 nan 0.000 0.452 386 L N 0.378 121.601 121.223 -0.001 0.000 2.046 386 L HA -0.178 4.477 4.340 0.526 0.000 0.208 386 L C 2.452 179.252 176.870 -0.116 0.000 1.077 386 L CA 0.729 55.562 54.840 -0.012 0.000 0.747 386 L CB -0.285 41.799 42.059 0.042 0.000 0.896 386 L HN 0.056 nan 8.230 nan 0.000 0.432 387 V N -0.111 119.655 119.914 -0.247 0.000 2.358 387 V HA -0.172 4.263 4.120 0.526 0.000 0.246 387 V C 2.569 178.580 176.094 -0.139 0.000 1.047 387 V CA 1.938 64.055 62.300 -0.306 0.000 1.035 387 V CB -1.083 30.525 31.823 -0.358 0.000 0.658 387 V HN 0.561 nan 8.190 nan 0.000 0.452 388 G N -0.594 108.169 108.800 -0.061 0.000 2.402 388 G HA2 -0.217 4.058 3.960 0.526 0.000 0.216 388 G HA3 -0.217 4.058 3.960 0.526 0.000 0.216 388 G C 1.703 176.552 174.900 -0.085 0.000 1.162 388 G CA 1.494 46.510 45.100 -0.141 0.000 0.777 388 G HN 0.464 nan 8.290 nan 0.000 0.539 389 T N 0.035 114.578 114.554 -0.019 0.000 2.777 389 T HA -0.050 4.615 4.350 0.526 0.000 0.266 389 T C 2.313 177.002 174.700 -0.018 0.000 1.040 389 T CA 1.131 63.218 62.100 -0.021 0.000 1.141 389 T CB -0.080 68.796 68.868 0.014 0.000 0.868 389 T HN 0.295 nan 8.240 nan 0.000 0.444 390 R N 0.957 121.460 120.500 0.004 0.000 2.081 390 R HA -0.055 4.600 4.340 0.526 0.000 0.235 390 R C 2.574 178.893 176.300 0.032 0.000 1.131 390 R CA 1.451 57.578 56.100 0.044 0.000 0.960 390 R CB -0.443 29.915 30.300 0.096 0.000 0.856 390 R HN 0.364 nan 8.270 nan 0.000 0.436 391 A N 0.760 123.581 122.820 0.002 0.000 1.902 391 A HA -0.118 4.517 4.320 0.526 0.000 0.217 391 A C 2.372 179.996 177.584 0.067 0.000 1.181 391 A CA 1.741 53.792 52.037 0.025 0.000 0.623 391 A CB -0.818 18.182 19.000 -0.000 0.000 0.818 391 A HN 0.549 nan 8.150 nan 0.000 0.443 392 A N -0.280 122.537 122.820 -0.004 0.000 1.902 392 A HA -0.166 4.469 4.320 0.526 0.000 0.217 392 A C 2.247 179.804 177.584 -0.044 0.000 1.181 392 A CA 1.603 53.544 52.037 -0.160 0.000 0.623 392 A CB -0.441 18.233 19.000 -0.543 0.000 0.818 392 A HN 0.557 nan 8.150 nan 0.000 0.443 393 R N -0.642 119.849 120.500 -0.016 0.000 2.092 393 R HA 0.054 4.709 4.340 0.526 0.000 0.231 393 R C 1.976 178.325 176.300 0.081 0.000 1.119 393 R CA 1.232 57.344 56.100 0.020 0.000 0.970 393 R CB -0.386 29.924 30.300 0.018 0.000 0.864 393 R HN 0.496 nan 8.270 nan 0.000 0.440 394 L N -0.383 120.911 121.223 0.118 0.000 2.109 394 L HA -0.100 4.556 4.340 0.526 0.000 0.207 394 L C 2.205 179.262 176.870 0.313 0.000 1.086 394 L CA 1.124 56.101 54.840 0.228 0.000 0.760 394 L CB -0.517 41.665 42.059 0.205 0.000 0.910 394 L HN 0.187 nan 8.230 nan 0.000 0.437 395 T N 0.083 114.753 114.554 0.193 0.000 2.720 395 T HA -0.162 4.504 4.350 0.526 0.000 0.268 395 T C 1.853 176.693 174.700 0.233 0.000 1.037 395 T CA 1.750 63.994 62.100 0.240 0.000 1.144 395 T CB -0.264 68.746 68.868 0.238 0.000 0.864 395 T HN 0.348 nan 8.240 nan 0.000 0.444 396 V N -0.577 119.429 119.914 0.154 0.000 3.078 396 V HA -0.066 4.370 4.120 0.526 0.000 0.265 396 V C 2.345 178.458 176.094 0.032 0.000 1.122 396 V CA 0.809 63.169 62.300 0.099 0.000 1.141 396 V CB -1.727 30.145 31.823 0.081 0.000 0.735 396 V HN 0.525 nan 8.190 nan 0.000 0.498 397 C N 1.735 121.072 119.300 0.061 0.000 2.435 397 C HA 0.090 4.865 4.460 0.526 0.000 0.279 397 C C 2.998 177.798 174.990 -0.318 0.000 1.321 397 C CA 0.984 59.984 59.018 -0.031 0.000 1.752 397 C CB -1.722 26.097 27.740 0.132 0.000 1.959 397 C HN 0.703 nan 8.230 nan 0.000 0.500 398 G N 0.340 108.904 108.800 -0.392 0.000 2.402 398 G HA2 -0.127 4.149 3.960 0.526 0.000 0.216 398 G HA3 -0.127 4.149 3.960 0.526 0.000 0.216 398 G C 1.668 176.245 174.900 -0.539 0.000 1.162 398 G CA 1.235 45.716 45.100 -1.031 0.000 0.777 398 G HN 0.391 nan 8.290 nan 0.000 0.539 399 V N 0.818 120.625 119.914 -0.179 0.000 2.295 399 V HA -0.180 4.255 4.120 0.526 0.000 0.246 399 V C 3.027 179.086 176.094 -0.059 0.000 1.049 399 V CA 2.269 64.544 62.300 -0.042 0.000 1.024 399 V CB -0.484 31.385 31.823 0.077 0.000 0.648 399 V HN 0.487 nan 8.190 nan 0.000 0.447 400 S N -0.240 115.426 115.700 -0.058 0.000 2.382 400 S HA -0.167 4.619 4.470 0.526 0.000 0.228 400 S C 2.104 176.635 174.600 -0.115 0.000 1.027 400 S CA 1.579 59.784 58.200 0.009 0.000 0.991 400 S CB -0.314 62.835 63.200 -0.085 0.000 0.823 400 S HN 0.602 nan 8.310 nan 0.000 0.469 401 A N 1.267 123.896 122.820 -0.318 0.000 1.902 401 A HA 0.029 4.665 4.320 0.526 0.000 0.217 401 A C 2.121 179.489 177.584 -0.360 0.000 1.181 401 A CA 1.456 53.263 52.037 -0.382 0.000 0.623 401 A CB -0.745 17.845 19.000 -0.683 0.000 0.818 401 A HN 0.615 nan 8.150 nan 0.000 0.443 402 I N -0.673 119.653 120.570 -0.407 0.000 2.179 402 I HA -0.323 4.163 4.170 0.526 0.000 0.242 402 I C 2.524 178.445 176.117 -0.327 0.000 1.088 402 I CA 1.194 62.218 61.300 -0.459 0.000 1.357 402 I CB -0.374 37.347 38.000 -0.465 0.000 1.051 402 I HN 0.392 nan 8.210 nan 0.000 0.409 403 C N 0.576 119.803 119.300 -0.123 0.000 2.432 403 C HA -0.166 4.610 4.460 0.526 0.000 0.277 403 C C 2.427 177.338 174.990 -0.133 0.000 1.249 403 C CA 0.846 59.852 59.018 -0.020 0.000 1.725 403 C CB -1.026 26.808 27.740 0.156 0.000 2.028 403 C HN 0.522 nan 8.230 nan 0.000 0.477 404 D N 0.526 120.884 120.400 -0.070 0.000 2.144 404 D HA -0.116 4.840 4.640 0.526 0.000 0.200 404 D C 2.156 178.371 176.300 -0.141 0.000 0.978 404 D CA 0.908 54.874 54.000 -0.058 0.000 0.833 404 D CB -0.493 40.302 40.800 -0.008 0.000 0.961 404 D HN 0.514 nan 8.370 nan 0.000 0.470 405 K N 0.469 120.746 120.400 -0.205 0.000 2.063 405 K HA -0.123 4.513 4.320 0.526 0.000 0.208 405 K C 1.522 177.982 176.600 -0.234 0.000 1.048 405 K CA 1.004 57.169 56.287 -0.203 0.000 0.928 405 K CB 0.250 32.604 32.500 -0.243 0.000 0.713 405 K HN -0.063 nan 8.250 nan 0.000 0.442 406 R N -0.910 119.342 120.500 -0.413 0.000 2.317 406 R HA 0.071 4.727 4.340 0.526 0.000 0.208 406 R C 0.815 176.821 176.300 -0.490 0.000 0.914 406 R CA 0.794 56.566 56.100 -0.547 0.000 1.060 406 R CB 0.440 30.096 30.300 -1.074 0.000 1.015 406 R HN 0.528 nan 8.270 nan 0.000 0.498 407 G N 1.479 110.084 108.800 -0.325 0.000 2.198 407 G HA2 -0.276 3.999 3.960 0.526 0.000 0.257 407 G HA3 -0.276 3.999 3.960 0.526 0.000 0.257 407 G C -0.647 174.251 174.900 -0.004 0.000 1.042 407 G CA -0.130 44.896 45.100 -0.123 0.000 0.791 407 G HN 0.216 nan 8.290 nan 0.000 0.502 408 Y N 0.516 120.811 120.300 -0.008 0.000 2.539 408 Y HA 0.383 5.215 4.550 0.469 0.000 0.352 408 Y C 1.653 177.530 175.900 -0.038 0.000 1.004 408 Y CA -1.100 56.987 58.100 -0.022 0.000 1.278 408 Y CB 0.736 39.187 38.460 -0.014 0.000 1.136 408 Y HN 0.195 nan 8.280 nan 0.000 0.528 409 K N 0.979 121.438 120.400 0.098 0.000 2.243 409 K HA 0.035 4.670 4.320 0.526 0.000 0.201 409 K C 0.426 177.006 176.600 -0.034 0.000 1.051 409 K CA 0.971 57.265 56.287 0.011 0.000 0.970 409 K CB 0.237 32.739 32.500 0.003 0.000 0.755 409 K HN 0.661 nan 8.250 nan 0.000 0.465 410 T N -1.588 112.951 114.554 -0.026 0.000 2.906 410 T HA 0.781 5.447 4.350 0.526 0.000 0.295 410 T C -0.977 173.686 174.700 -0.061 0.000 1.061 410 T CA -1.049 61.008 62.100 -0.073 0.000 1.000 410 T CB 2.409 71.208 68.868 -0.116 0.000 1.103 410 T HN 0.071 nan 8.240 nan 0.000 0.486 411 A N 1.243 124.039 122.820 -0.039 0.000 2.594 411 A HA 0.596 5.232 4.320 0.526 0.000 0.296 411 A C -1.339 176.315 177.584 0.117 0.000 1.056 411 A CA -0.957 51.056 52.037 -0.040 0.000 0.693 411 A CB 0.649 19.654 19.000 0.009 0.000 1.278 411 A HN 1.026 nan 8.150 nan 0.000 0.408 412 H N 1.641 120.671 119.070 -0.067 0.000 2.489 412 H HA 0.472 5.340 4.556 0.520 0.000 0.322 412 H C -0.628 174.691 175.328 -0.015 0.000 1.091 412 H CA -0.682 55.347 56.048 -0.030 0.000 1.291 412 H CB 1.328 31.066 29.762 -0.040 0.000 1.436 412 H HN 0.398 nan 8.280 nan 0.000 0.480 413 I N 2.868 123.507 120.570 0.114 0.000 2.359 413 I HA 0.181 4.667 4.170 0.526 0.000 0.284 413 I C 0.352 176.465 176.117 -0.008 0.000 1.018 413 I CA -0.518 60.820 61.300 0.063 0.000 1.173 413 I CB 0.682 38.728 38.000 0.076 0.000 1.326 413 I HN 0.604 nan 8.210 nan 0.000 0.462 414 A N 5.977 128.794 122.820 -0.004 0.000 2.376 414 A HA 0.694 5.329 4.320 0.526 0.000 0.298 414 A C 0.402 177.905 177.584 -0.135 0.000 1.271 414 A CA -0.261 51.750 52.037 -0.044 0.000 0.926 414 A CB 0.010 19.021 19.000 0.019 0.000 1.141 414 A HN 0.807 nan 8.150 nan 0.000 0.539 415 A N 2.869 125.491 122.820 -0.331 0.000 2.340 415 A HA 0.788 5.423 4.320 0.526 0.000 0.331 415 A C -0.502 176.815 177.584 -0.446 0.000 1.140 415 A CA -0.461 51.227 52.037 -0.580 0.000 0.801 415 A CB 1.193 19.374 19.000 -1.365 0.000 1.234 415 A HN 0.777 nan 8.150 nan 0.000 0.469 416 D N -0.837 119.440 120.400 -0.205 0.000 2.664 416 D HA 0.684 5.640 4.640 0.526 0.000 0.292 416 D C -0.244 176.103 176.300 0.077 0.000 1.214 416 D CA 0.928 54.944 54.000 0.027 0.000 0.932 416 D CB 2.009 42.827 40.800 0.030 0.000 1.420 416 D HN 1.710 nan 8.370 nan 0.000 0.471 417 G N -0.515 108.350 108.800 0.109 0.000 2.587 417 G HA2 0.044 4.320 3.960 0.526 0.000 0.686 417 G HA3 0.044 4.320 3.960 0.526 0.000 0.686 417 G C 0.700 175.657 174.900 0.094 0.000 1.236 417 G CA 0.483 45.633 45.100 0.082 0.000 0.820 417 G HN 0.801 nan 8.290 nan 0.000 0.645 418 S N -0.850 114.884 115.700 0.057 0.000 2.419 418 S HA -0.082 4.704 4.470 0.526 0.000 0.233 418 S C 2.285 176.902 174.600 0.028 0.000 1.016 418 S CA 2.251 60.480 58.200 0.048 0.000 0.974 418 S CB -0.088 63.139 63.200 0.046 0.000 0.786 418 S HN 1.344 nan 8.310 nan 0.000 0.492 419 V N 0.943 120.843 119.914 -0.024 0.000 2.283 419 V HA -0.018 4.418 4.120 0.526 0.000 0.243 419 V C 2.088 178.005 176.094 -0.294 0.000 1.039 419 V CA 1.809 64.018 62.300 -0.152 0.000 1.016 419 V CB -1.006 30.633 31.823 -0.307 0.000 0.650 419 V HN 0.539 nan 8.190 nan 0.000 0.449 420 F N 1.893 121.605 119.950 -0.398 0.000 2.126 420 F HA -0.202 4.650 4.527 0.542 0.000 0.299 420 F C 2.268 178.056 175.800 -0.019 0.000 1.096 420 F CA 1.973 59.838 58.000 -0.224 0.000 1.255 420 F CB -0.295 38.671 39.000 -0.056 0.000 0.997 420 F HN 0.189 nan 8.300 nan 0.000 0.479 421 N N 0.131 118.831 118.700 0.001 0.000 2.300 421 N HA -0.030 5.026 4.740 0.526 0.000 0.179 421 N C 1.519 176.980 175.510 -0.082 0.000 1.016 421 N CA 1.131 54.147 53.050 -0.057 0.000 0.876 421 N CB -0.130 38.402 38.487 0.075 0.000 0.979 421 N HN 0.432 nan 8.380 nan 0.000 0.432 422 R N -1.563 118.917 120.500 -0.034 0.000 2.513 422 R HA 0.121 4.776 4.340 0.526 0.000 0.245 422 R C -0.185 176.110 176.300 -0.008 0.000 0.908 422 R CA -0.340 55.747 56.100 -0.022 0.000 1.023 422 R CB 0.422 30.719 30.300 -0.005 0.000 1.338 422 R HN 0.102 nan 8.270 nan 0.000 0.575 423 Y N 4.432 124.698 120.300 -0.057 0.000 2.465 423 Y HA 0.139 5.005 4.550 0.526 0.000 0.331 423 Y C -2.211 173.715 175.900 0.044 0.000 1.102 423 Y CA -2.194 55.907 58.100 0.002 0.000 1.358 423 Y CB 0.661 39.130 38.460 0.015 0.000 1.213 423 Y HN -0.124 nan 8.280 nan 0.000 0.525 424 P HA 0.080 nan 4.420 nan 0.000 0.263 424 P C 0.373 177.717 177.300 0.073 0.000 1.195 424 P CA 1.649 64.647 63.100 -0.170 0.000 0.762 424 P CB 0.514 32.035 31.700 -0.299 0.000 0.799 425 G N 2.454 111.297 108.800 0.072 0.000 2.166 425 G HA2 -0.385 3.891 3.960 0.526 0.000 0.260 425 G HA3 -0.385 3.891 3.960 0.526 0.000 0.260 425 G C 0.862 175.855 174.900 0.156 0.000 0.986 425 G CA 0.417 45.573 45.100 0.093 0.000 0.683 425 G HN 0.524 nan 8.290 nan 0.000 0.527 426 Y N 0.894 121.269 120.300 0.124 0.000 2.181 426 Y HA -0.073 4.790 4.550 0.522 0.000 0.288 426 Y C 2.725 178.668 175.900 0.071 0.000 1.146 426 Y CA 2.551 60.728 58.100 0.127 0.000 1.164 426 Y CB -0.128 38.411 38.460 0.132 0.000 0.982 426 Y HN 0.387 nan 8.280 nan 0.000 0.515 427 K N -0.287 120.184 120.400 0.117 0.000 2.057 427 K HA -0.203 4.433 4.320 0.526 0.000 0.207 427 K C 1.785 178.414 176.600 0.048 0.000 1.049 427 K CA 1.855 58.191 56.287 0.082 0.000 0.931 427 K CB -0.133 32.357 32.500 -0.017 0.000 0.714 427 K HN 0.292 nan 8.250 nan 0.000 0.440 428 E N 1.035 121.248 120.200 0.022 0.000 2.072 428 E HA -0.116 4.549 4.350 0.526 0.000 0.191 428 E C 1.732 178.338 176.600 0.011 0.000 0.985 428 E CA 1.206 57.620 56.400 0.023 0.000 0.801 428 E CB 0.037 29.750 29.700 0.022 0.000 0.750 428 E HN 0.186 nan 8.360 nan 0.000 0.452 429 K N 0.318 120.692 120.400 -0.044 0.000 2.063 429 K HA -0.097 4.539 4.320 0.526 0.000 0.208 429 K C 2.146 178.673 176.600 -0.121 0.000 1.048 429 K CA 1.325 57.554 56.287 -0.096 0.000 0.928 429 K CB -0.203 32.188 32.500 -0.183 0.000 0.713 429 K HN 0.124 nan 8.250 nan 0.000 0.442 430 A N 1.296 124.007 122.820 -0.183 0.000 1.897 430 A HA -0.043 4.593 4.320 0.526 0.000 0.215 430 A C 2.353 179.991 177.584 0.091 0.000 1.181 430 A CA 1.625 53.615 52.037 -0.078 0.000 0.620 430 A CB -0.636 18.349 19.000 -0.027 0.000 0.821 430 A HN 0.321 nan 8.150 nan 0.000 0.443 431 A N -0.850 122.058 122.820 0.146 0.000 1.902 431 A HA -0.189 4.446 4.320 0.526 0.000 0.217 431 A C 2.151 179.938 177.584 0.337 0.000 1.181 431 A CA 2.093 54.308 52.037 0.296 0.000 0.623 431 A CB -0.497 18.622 19.000 0.198 0.000 0.818 431 A HN 0.522 nan 8.150 nan 0.000 0.443 432 Q N -0.127 119.790 119.800 0.194 0.000 2.119 432 Q HA 0.005 4.660 4.340 0.526 0.000 0.201 432 Q C 2.006 178.045 176.000 0.065 0.000 0.972 432 Q CA 1.960 57.851 55.803 0.146 0.000 0.847 432 Q CB -0.596 28.194 28.738 0.085 0.000 0.903 432 Q HN 0.554 nan 8.270 nan 0.000 0.433 433 A N 0.096 122.938 122.820 0.036 0.000 1.877 433 A HA -0.145 4.491 4.320 0.526 0.000 0.216 433 A C 2.104 179.655 177.584 -0.054 0.000 1.186 433 A CA 1.466 53.494 52.037 -0.014 0.000 0.620 433 A CB -0.798 18.192 19.000 -0.015 0.000 0.822 433 A HN 0.450 nan 8.150 nan 0.000 0.443 434 L N -0.695 120.537 121.223 0.015 0.000 2.046 434 L HA -0.190 4.466 4.340 0.526 0.000 0.208 434 L C 2.635 179.254 176.870 -0.419 0.000 1.077 434 L CA 1.905 56.712 54.840 -0.055 0.000 0.747 434 L CB -0.364 41.843 42.059 0.246 0.000 0.896 434 L HN 0.469 nan 8.230 nan 0.000 0.432 435 K N -0.016 120.236 120.400 -0.247 0.000 2.103 435 K HA -0.220 4.416 4.320 0.526 0.000 0.207 435 K C 1.599 178.011 176.600 -0.313 0.000 1.048 435 K CA 1.798 57.891 56.287 -0.325 0.000 0.930 435 K CB 0.020 32.511 32.500 -0.015 0.000 0.716 435 K HN 0.246 nan 8.250 nan 0.000 0.444 436 D N 0.702 120.981 120.400 -0.201 0.000 2.117 436 D HA -0.114 4.841 4.640 0.526 0.000 0.198 436 D C 1.921 178.060 176.300 -0.267 0.000 0.982 436 D CA 1.006 54.902 54.000 -0.174 0.000 0.828 436 D CB -0.098 40.640 40.800 -0.104 0.000 0.967 436 D HN 0.272 nan 8.370 nan 0.000 0.464 437 I N -0.172 120.178 120.570 -0.367 0.000 2.163 437 I HA -0.301 4.185 4.170 0.526 0.000 0.243 437 I C 1.698 177.418 176.117 -0.661 0.000 1.085 437 I CA 1.230 62.216 61.300 -0.523 0.000 1.347 437 I CB -0.171 37.416 38.000 -0.688 0.000 1.044 437 I HN 0.035 nan 8.210 nan 0.000 0.408 438 Y N -0.189 119.731 120.300 -0.634 0.000 2.482 438 Y HA 0.106 4.970 4.550 0.523 0.000 0.270 438 Y C 1.098 176.679 175.900 -0.531 0.000 1.152 438 Y CA 0.003 57.673 58.100 -0.716 0.000 1.292 438 Y CB -0.516 37.121 38.460 -1.371 0.000 1.070 438 Y HN 0.237 nan 8.280 nan 0.000 0.528 439 N N 0.161 118.677 118.700 -0.307 0.000 2.727 439 N HA -0.202 4.853 4.740 0.526 0.000 0.249 439 N C -1.025 174.497 175.510 0.020 0.000 1.048 439 N CA -0.296 52.683 53.050 -0.117 0.000 0.714 439 N CB -0.576 37.874 38.487 -0.063 0.000 0.959 439 N HN 0.239 nan 8.380 nan 0.000 0.544 440 W N 0.796 122.105 121.300 0.014 0.000 2.181 440 W HA 0.136 5.107 4.660 0.518 0.000 0.335 440 W C 0.942 177.450 176.519 -0.018 0.000 1.310 440 W CA -0.080 57.254 57.345 -0.019 0.000 1.226 440 W CB 0.061 29.468 29.460 -0.090 0.000 1.155 440 W HN 0.200 nan 8.180 nan 0.000 0.565 441 D N 2.500 123.039 120.400 0.231 0.000 2.524 441 D HA 0.287 5.242 4.640 0.526 0.000 0.222 441 D C -1.300 175.066 176.300 0.109 0.000 1.142 441 D CA 0.062 54.142 54.000 0.134 0.000 0.973 441 D CB 0.157 41.012 40.800 0.092 0.000 1.025 441 D HN 0.045 nan 8.370 nan 0.000 0.519 442 V N 3.342 123.332 119.914 0.128 0.000 2.777 442 V HA 0.255 4.690 4.120 0.526 0.000 0.306 442 V C 0.596 176.776 176.094 0.144 0.000 1.112 442 V CA -0.560 61.805 62.300 0.107 0.000 0.917 442 V CB 2.087 33.958 31.823 0.080 0.000 1.018 442 V HN 0.462 nan 8.190 nan 0.000 0.426 443 E N 4.244 124.508 120.200 0.106 0.000 2.030 443 E HA 0.112 4.777 4.350 0.526 0.000 0.189 443 E C 0.238 176.904 176.600 0.110 0.000 0.974 443 E CA 0.467 56.926 56.400 0.098 0.000 0.807 443 E CB 0.305 30.039 29.700 0.057 0.000 0.771 443 E HN 0.675 nan 8.360 nan 0.000 0.451 444 K N 0.996 121.441 120.400 0.076 0.000 2.156 444 K HA 0.158 4.794 4.320 0.526 0.000 0.271 444 K C 0.725 177.285 176.600 -0.067 0.000 0.995 444 K CA -0.323 55.974 56.287 0.015 0.000 0.890 444 K CB 1.532 34.026 32.500 -0.010 0.000 1.073 444 K HN 0.116 nan 8.250 nan 0.000 0.454 445 M N 2.657 122.127 119.600 -0.216 0.000 2.106 445 M HA -0.255 4.540 4.480 0.526 0.000 0.259 445 M C 1.889 177.927 176.300 -0.436 0.000 1.068 445 M CA 1.940 56.880 55.300 -0.600 0.000 1.100 445 M CB -0.027 32.383 32.600 -0.317 0.000 1.351 445 M HN 0.713 nan 8.290 nan 0.000 0.404 446 E N -1.107 118.976 120.200 -0.195 0.000 2.333 446 E HA -0.217 4.448 4.350 0.526 0.000 0.198 446 E C 0.434 176.982 176.600 -0.086 0.000 1.007 446 E CA 1.310 57.640 56.400 -0.118 0.000 0.845 446 E CB -0.347 29.310 29.700 -0.072 0.000 0.766 446 E HN 0.548 nan 8.360 nan 0.000 0.507 447 D N 0.444 120.801 120.400 -0.071 0.000 2.349 447 D HA 0.056 5.012 4.640 0.526 0.000 0.214 447 D C -0.274 175.997 176.300 -0.050 0.000 1.063 447 D CA 0.001 53.976 54.000 -0.043 0.000 0.847 447 D CB -0.154 40.632 40.800 -0.024 0.000 0.933 447 D HN 0.361 nan 8.370 nan 0.000 0.513 448 H N 1.032 119.978 119.070 -0.207 0.000 2.964 448 H HA -0.011 4.858 4.556 0.523 0.000 0.328 448 H C -1.260 173.712 175.328 -0.594 0.000 1.030 448 H CA -1.252 54.519 56.048 -0.461 0.000 1.445 448 H CB 1.237 30.880 29.762 -0.198 0.000 1.449 448 H HN -0.096 nan 8.280 nan 0.000 0.581 449 P HA -0.144 nan 4.420 nan 0.000 0.216 449 P C 0.003 177.129 177.300 -0.290 0.000 1.153 449 P CA 1.465 64.194 63.100 -0.619 0.000 0.858 449 P CB 0.373 31.581 31.700 -0.821 0.000 0.789 450 I N -0.320 120.126 120.570 -0.207 0.000 2.389 450 I HA 0.259 4.745 4.170 0.526 0.000 0.288 450 I C -0.092 176.173 176.117 0.246 0.000 0.999 450 I CA -0.640 60.745 61.300 0.142 0.000 1.129 450 I CB 1.506 39.684 38.000 0.297 0.000 1.288 450 I HN -0.067 nan 8.210 nan 0.000 0.444 451 Q N 5.801 125.713 119.800 0.187 0.000 2.340 451 Q HA 0.619 5.274 4.340 0.526 0.000 0.276 451 Q C -1.805 174.260 176.000 0.107 0.000 1.048 451 Q CA -1.122 54.779 55.803 0.164 0.000 0.832 451 Q CB 2.490 31.270 28.738 0.069 0.000 1.373 451 Q HN 0.317 nan 8.270 nan 0.000 0.409 452 L N 2.141 123.447 121.223 0.137 0.000 2.349 452 L HA 0.541 5.197 4.340 0.526 0.000 0.275 452 L C -0.149 176.775 176.870 0.090 0.000 1.115 452 L CA -0.110 54.791 54.840 0.102 0.000 0.820 452 L CB 1.498 43.677 42.059 0.201 0.000 1.135 452 L HN 0.628 nan 8.230 nan 0.000 0.445 453 V N 0.286 120.201 119.914 0.002 0.000 3.040 453 V HA 0.933 5.368 4.120 0.526 0.000 0.312 453 V C -0.003 176.125 176.094 0.058 0.000 1.115 453 V CA -1.270 61.048 62.300 0.030 0.000 0.998 453 V CB 1.554 33.302 31.823 -0.126 0.000 1.042 453 V HN 0.869 nan 8.190 nan 0.000 0.433 454 A N 2.202 125.129 122.820 0.178 0.000 2.488 454 A HA 0.734 5.370 4.320 0.526 0.000 0.249 454 A C 0.752 178.389 177.584 0.088 0.000 1.083 454 A CA 0.394 52.556 52.037 0.208 0.000 0.768 454 A CB -0.229 18.915 19.000 0.239 0.000 1.017 454 A HN 2.229 nan 8.150 nan 0.000 0.496 455 A N 2.788 125.636 122.820 0.047 0.000 2.332 455 A HA 0.529 5.165 4.320 0.526 0.000 0.258 455 A C 0.485 178.129 177.584 0.101 0.000 1.087 455 A CA -0.480 51.587 52.037 0.050 0.000 0.802 455 A CB 0.121 19.127 19.000 0.010 0.000 1.042 455 A HN 0.836 nan 8.150 nan 0.000 0.489 456 E N 0.481 120.753 120.200 0.121 0.000 2.369 456 E HA 0.104 4.769 4.350 0.526 0.000 0.255 456 E C -0.622 176.038 176.600 0.099 0.000 1.172 456 E CA -0.357 56.138 56.400 0.158 0.000 0.932 456 E CB 0.459 30.289 29.700 0.216 0.000 1.040 456 E HN 0.657 nan 8.360 nan 0.000 0.454 457 D N 0.200 120.657 120.400 0.095 0.000 2.368 457 D HA 0.034 4.989 4.640 0.526 0.000 0.268 457 D C 1.035 177.339 176.300 0.007 0.000 1.298 457 D CA 0.267 54.297 54.000 0.051 0.000 0.938 457 D CB 0.421 41.255 40.800 0.055 0.000 1.101 457 D HN 0.461 nan 8.370 nan 0.000 0.509 458 G N 2.474 111.280 108.800 0.011 0.000 2.396 458 G HA2 -0.205 4.070 3.960 0.526 0.000 0.214 458 G HA3 -0.205 4.070 3.960 0.526 0.000 0.214 458 G C 1.437 176.331 174.900 -0.010 0.000 1.166 458 G CA 0.693 45.789 45.100 -0.006 0.000 0.793 458 G HN 0.565 nan 8.290 nan 0.000 0.533 459 S N 0.162 115.865 115.700 0.004 0.000 2.453 459 S HA 0.221 5.007 4.470 0.526 0.000 0.231 459 S C 2.005 176.621 174.600 0.026 0.000 1.005 459 S CA 1.133 59.344 58.200 0.019 0.000 0.949 459 S CB 0.044 63.261 63.200 0.028 0.000 0.774 459 S HN 0.440 nan 8.310 nan 0.000 0.510 460 G N 1.378 110.179 108.800 0.003 0.000 2.598 460 G HA2 0.185 4.460 3.960 0.526 0.000 0.225 460 G HA3 0.185 4.460 3.960 0.526 0.000 0.225 460 G C 1.215 176.074 174.900 -0.069 0.000 1.631 460 G CA 0.415 45.506 45.100 -0.014 0.000 0.821 460 G HN 0.299 nan 8.290 nan 0.000 0.610 461 V N 2.029 121.868 119.914 -0.126 0.000 2.282 461 V HA -0.123 4.312 4.120 0.526 0.000 0.249 461 V C 3.128 179.086 176.094 -0.228 0.000 1.057 461 V CA 2.412 64.546 62.300 -0.278 0.000 1.032 461 V CB -1.118 30.414 31.823 -0.486 0.000 0.645 461 V HN 0.469 nan 8.190 nan 0.000 0.447 462 G N -0.704 108.015 108.800 -0.134 0.000 2.418 462 G HA2 -0.183 4.092 3.960 0.526 0.000 0.217 462 G HA3 -0.183 4.092 3.960 0.526 0.000 0.217 462 G C 1.763 176.614 174.900 -0.081 0.000 1.158 462 G CA 0.992 46.035 45.100 -0.096 0.000 0.771 462 G HN 0.630 nan 8.290 nan 0.000 0.545 463 A N 1.114 123.905 122.820 -0.048 0.000 1.933 463 A HA 0.261 4.896 4.320 0.526 0.000 0.218 463 A C 2.786 180.347 177.584 -0.039 0.000 1.175 463 A CA 2.228 54.256 52.037 -0.015 0.000 0.628 463 A CB -0.682 18.343 19.000 0.042 0.000 0.814 463 A HN 0.744 nan 8.150 nan 0.000 0.444 464 A N -0.100 122.679 122.820 -0.068 0.000 1.898 464 A HA -0.026 4.610 4.320 0.526 0.000 0.216 464 A C 2.104 179.558 177.584 -0.218 0.000 1.181 464 A CA 1.429 53.428 52.037 -0.063 0.000 0.620 464 A CB -0.540 18.438 19.000 -0.036 0.000 0.819 464 A HN 0.489 nan 8.150 nan 0.000 0.442 465 I N -0.412 119.990 120.570 -0.280 0.000 2.315 465 I HA -0.221 4.264 4.170 0.526 0.000 0.248 465 I C 2.216 178.164 176.117 -0.280 0.000 1.117 465 I CA 1.135 62.206 61.300 -0.381 0.000 1.404 465 I CB -0.297 37.492 38.000 -0.353 0.000 1.071 465 I HN 0.282 nan 8.210 nan 0.000 0.419 466 I N 0.865 121.340 120.570 -0.158 0.000 2.286 466 I HA -0.276 4.210 4.170 0.526 0.000 0.248 466 I C 2.797 178.851 176.117 -0.105 0.000 1.115 466 I CA 1.178 62.421 61.300 -0.095 0.000 1.392 466 I CB -0.399 37.574 38.000 -0.045 0.000 1.065 466 I HN 0.182 nan 8.210 nan 0.000 0.418 467 A N -0.061 122.692 122.820 -0.113 0.000 1.908 467 A HA -0.310 4.326 4.320 0.526 0.000 0.218 467 A C 2.565 180.056 177.584 -0.154 0.000 1.181 467 A CA 1.962 53.960 52.037 -0.064 0.000 0.627 467 A CB -1.351 17.669 19.000 0.032 0.000 0.818 467 A HN 0.643 nan 8.150 nan 0.000 0.445 468 C N -0.265 118.735 119.300 -0.499 0.000 2.413 468 C HA -0.077 4.698 4.460 0.526 0.000 0.277 468 C C 2.598 177.419 174.990 -0.281 0.000 1.228 468 C CA 1.318 59.886 59.018 -0.751 0.000 1.731 468 C CB -1.576 25.303 27.740 -1.435 0.000 2.042 468 C HN 0.574 nan 8.230 nan 0.000 0.468 469 L N 0.513 121.611 121.223 -0.209 0.000 2.083 469 L HA -0.103 4.553 4.340 0.526 0.000 0.209 469 L C 2.825 179.669 176.870 -0.042 0.000 1.083 469 L CA 2.074 56.863 54.840 -0.086 0.000 0.752 469 L CB -1.151 40.885 42.059 -0.040 0.000 0.899 469 L HN 0.412 nan 8.230 nan 0.000 0.433 470 T N -1.151 113.379 114.554 -0.040 0.000 2.777 470 T HA -0.262 4.404 4.350 0.526 0.000 0.266 470 T C 1.855 176.555 174.700 0.000 0.000 1.040 470 T CA 1.312 63.408 62.100 -0.008 0.000 1.141 470 T CB -0.151 68.716 68.868 -0.001 0.000 0.868 470 T HN 0.336 nan 8.240 nan 0.000 0.444 471 Q N 0.906 120.711 119.800 0.007 0.000 2.135 471 Q HA -0.160 4.495 4.340 0.526 0.000 0.204 471 Q C 2.095 178.113 176.000 0.030 0.000 0.981 471 Q CA 1.333 57.159 55.803 0.037 0.000 0.856 471 Q CB -0.054 28.743 28.738 0.099 0.000 0.902 471 Q HN 0.474 nan 8.270 nan 0.000 0.425 472 K N -0.119 120.292 120.400 0.019 0.000 2.063 472 K HA -0.174 4.462 4.320 0.526 0.000 0.208 472 K C 2.233 178.840 176.600 0.012 0.000 1.048 472 K CA 1.559 57.858 56.287 0.019 0.000 0.928 472 K CB -0.097 32.409 32.500 0.010 0.000 0.713 472 K HN 0.201 nan 8.250 nan 0.000 0.442 473 R N 0.670 121.174 120.500 0.007 0.000 2.062 473 R HA 0.016 4.671 4.340 0.526 0.000 0.229 473 R C 2.463 178.764 176.300 0.001 0.000 1.128 473 R CA 0.847 56.950 56.100 0.005 0.000 0.960 473 R CB -0.377 29.927 30.300 0.007 0.000 0.855 473 R HN 0.124 nan 8.270 nan 0.000 0.432 474 L N 0.456 121.679 121.223 0.000 0.000 2.013 474 L HA -0.220 4.435 4.340 0.526 0.000 0.212 474 L C 2.674 179.542 176.870 -0.003 0.000 1.073 474 L CA 1.523 56.359 54.840 -0.006 0.000 0.753 474 L CB -0.687 41.368 42.059 -0.006 0.000 0.890 474 L HN 0.269 nan 8.230 nan 0.000 0.432 475 A N -0.258 122.566 122.820 0.007 0.000 2.024 475 A HA -0.116 4.519 4.320 0.526 0.000 0.220 475 A C 2.308 179.895 177.584 0.004 0.000 1.164 475 A CA 1.680 53.721 52.037 0.008 0.000 0.643 475 A CB -0.547 18.464 19.000 0.018 0.000 0.806 475 A HN 0.444 nan 8.150 nan 0.000 0.451 476 A N -1.930 120.892 122.820 0.003 0.000 2.251 476 A HA 0.423 5.058 4.320 0.526 0.000 0.209 476 A C 1.766 179.348 177.584 -0.004 0.000 1.187 476 A CA 1.123 53.161 52.037 0.001 0.000 0.823 476 A CB -0.834 18.167 19.000 0.003 0.000 0.846 476 A HN 1.854 nan 8.150 nan 0.000 0.486 477 G N -0.333 108.462 108.800 -0.007 0.000 2.153 477 G HA2 -0.269 4.007 3.960 0.526 0.000 0.252 477 G HA3 -0.269 4.007 3.960 0.526 0.000 0.252 477 G C 0.107 174.998 174.900 -0.014 0.000 0.994 477 G CA 0.626 45.718 45.100 -0.013 0.000 0.698 477 G HN 0.591 nan 8.290 nan 0.000 0.521 478 K N 0.704 121.098 120.400 -0.010 0.000 2.118 478 K HA 0.543 5.178 4.320 0.526 0.000 0.267 478 K C 0.612 177.205 176.600 -0.013 0.000 0.991 478 K CA -0.367 55.915 56.287 -0.008 0.000 0.916 478 K CB 1.041 33.540 32.500 -0.001 0.000 1.041 478 K HN 0.157 nan 8.250 nan 0.000 0.455 479 S N 0.816 116.509 115.700 -0.013 0.000 2.576 479 S HA 0.074 4.860 4.470 0.526 0.000 0.276 479 S C 0.506 175.101 174.600 -0.009 0.000 1.339 479 S CA -0.795 57.388 58.200 -0.029 0.000 1.039 479 S CB 0.770 63.954 63.200 -0.027 0.000 0.902 479 S HN 0.536 nan 8.310 nan 0.000 0.516 480 V N -1.044 118.838 119.914 -0.054 0.000 2.841 480 V HA 0.786 5.221 4.120 0.526 0.000 0.363 480 V C 0.334 176.296 176.094 -0.220 0.000 1.330 480 V CA 0.137 62.429 62.300 -0.013 0.000 1.207 480 V CB -0.389 31.432 31.823 -0.004 0.000 1.318 480 V HN 0.992 nan 8.190 nan 0.000 0.603 481 G N -0.102 108.453 108.800 -0.409 0.000 2.340 481 G HA2 0.464 4.739 3.960 0.526 0.000 0.299 481 G HA3 0.464 4.739 3.960 0.526 0.000 0.299 481 G C -1.254 173.228 174.900 -0.697 0.000 1.291 481 G CA -0.863 43.518 45.100 -1.198 0.000 0.841 481 G HN 0.093 nan 8.290 nan 0.000 0.500 482 I N 0.944 121.111 120.570 -0.671 0.000 2.754 482 I HA 0.149 4.634 4.170 0.526 0.000 0.285 482 I C 1.128 177.153 176.117 -0.154 0.000 1.166 482 I CA -0.082 61.083 61.300 -0.225 0.000 1.417 482 I CB 1.045 38.959 38.000 -0.142 0.000 1.382 482 I HN 0.554 nan 8.210 nan 0.000 0.588 483 K N 3.236 123.596 120.400 -0.065 0.000 2.484 483 K HA 0.150 4.785 4.320 0.526 0.000 0.280 483 K C 0.967 177.529 176.600 -0.063 0.000 1.013 483 K CA 0.995 57.250 56.287 -0.053 0.000 1.029 483 K CB 0.168 32.656 32.500 -0.021 0.000 0.902 483 K HN 0.909 nan 8.250 nan 0.000 0.481 484 G N 2.400 111.160 108.800 -0.066 0.000 2.176 484 G HA2 -0.198 4.077 3.960 0.526 0.000 0.253 484 G HA3 -0.198 4.077 3.960 0.526 0.000 0.253 484 G C -0.053 174.799 174.900 -0.079 0.000 0.979 484 G CA 0.145 45.208 45.100 -0.061 0.000 0.641 484 G HN 0.622 nan 8.290 nan 0.000 0.530 485 E N 0.000 120.133 120.200 -0.112 0.000 2.725 485 E HA 0.000 4.666 4.350 0.526 0.000 0.291 485 E CA 0.000 56.319 56.400 -0.134 0.000 0.976 485 E CB 0.000 29.588 29.700 -0.186 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440