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 1zeb_1_A DATA FIRST_RESID 1 DATA SEQUENCE IIPVEEENPD FWNREAAEAL GAAKKLQPAQ TAAKNLIIFL GDGMGVSTVT DATA SEQUENCE AARILKGQKK DKLGPEIPLA MDRFPYVALS KTYNVDKHVP DXGATATAYL DATA SEQUENCE CGVKGNFQTI GLSAAARFNQ cNTTRGNEVI SVMNRAKKAG KSVGVVTTTR DATA SEQUENCE VQHASPAGTY AHTVNRNWYS DADVPASARQ EGcQDIATQL ISNMDIDVIL DATA SEQUENCE GGGRKYMFRM GTPDPEYPDD YSQGGTRLDG KNLVQEWLAK RQGARYVWNR DATA SEQUENCE TELMQASLDP SVTHLMGLFE PGDMKYEIHR DSTLDPSLME MTEAALRLLS DATA SEQUENCE RNPRGFFLFV EGGRIDHGHH ESRAYRALTE TIMFDDAIER AGQLTSEEDT DATA SEQUENCE LSLVTADHSH VFSFGGYPLR GSSIFGLAPG KARDRKAYTV LLYGNGPGYV DATA SEQUENCE LKDGARPDVT ESESGSPEYR QQSAVPLDEE THAGEDVAVF ARGPQAHLVH DATA SEQUENCE GVQEQTFIAH VMAFAAcLEP YTAcDLAPPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.119 176.117 0.003 0.000 1.063 1 I CA 0.000 61.302 61.300 0.004 0.000 1.566 1 I CB 0.000 38.000 38.000 0.001 0.000 1.214 2 I N 7.840 128.409 120.570 -0.002 0.000 2.291 2 I HA 0.442 4.611 4.170 -0.002 0.000 0.292 2 I C -1.714 174.389 176.117 -0.023 0.000 1.064 2 I CA -1.620 59.678 61.300 -0.003 0.000 1.269 2 I CB 1.544 39.543 38.000 -0.001 0.000 1.418 2 I HN 0.654 nan 8.210 nan 0.000 0.485 3 P HA 0.041 nan 4.420 nan 0.000 0.271 3 P C 1.037 178.269 177.300 -0.113 0.000 1.233 3 P CA -0.131 62.918 63.100 -0.085 0.000 0.764 3 P CB 1.283 32.907 31.700 -0.126 0.000 0.825 4 V N 4.230 124.088 119.914 -0.093 0.000 2.332 4 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 4 V C 2.593 178.614 176.094 -0.123 0.000 1.055 4 V CA 2.412 64.665 62.300 -0.079 0.000 1.038 4 V CB -1.375 30.416 31.823 -0.054 0.000 0.651 4 V HN 0.661 nan 8.190 nan 0.000 0.450 5 E N 0.971 121.055 120.200 -0.194 0.000 2.171 5 E HA -0.303 4.046 4.350 -0.002 0.000 0.197 5 E C 1.778 178.078 176.600 -0.501 0.000 0.997 5 E CA 1.913 58.145 56.400 -0.280 0.000 0.810 5 E CB -0.414 29.104 29.700 -0.303 0.000 0.738 5 E HN 0.748 nan 8.360 nan 0.000 0.467 6 E N 0.656 120.506 120.200 -0.583 0.000 2.435 6 E HA -0.059 4.290 4.350 -0.002 0.000 0.195 6 E C 1.548 178.206 176.600 0.097 0.000 1.029 6 E CA 0.318 56.423 56.400 -0.493 0.000 0.865 6 E CB 0.134 29.678 29.700 -0.260 0.000 0.833 6 E HN 0.446 nan 8.360 nan 0.000 0.510 7 E N 0.941 121.152 120.200 0.018 0.000 2.347 7 E HA -0.074 4.275 4.350 -0.002 0.000 0.196 7 E C 0.536 177.205 176.600 0.114 0.000 1.008 7 E CA 0.167 56.616 56.400 0.081 0.000 0.852 7 E CB -0.106 29.610 29.700 0.027 0.000 0.783 7 E HN 0.157 nan 8.360 nan 0.000 0.505 8 N N 1.161 119.924 118.700 0.104 0.000 2.419 8 N HA 0.038 4.777 4.740 -0.002 0.000 0.264 8 N C -2.016 173.638 175.510 0.240 0.000 1.031 8 N CA -1.861 51.266 53.050 0.128 0.000 0.951 8 N CB 1.233 39.770 38.487 0.083 0.000 1.101 8 N HN -0.261 nan 8.380 nan 0.000 0.488 9 P HA -0.151 nan 4.420 nan 0.000 0.218 9 P C 0.446 177.906 177.300 0.266 0.000 1.146 9 P CA 1.032 64.315 63.100 0.306 0.000 0.813 9 P CB 0.237 32.043 31.700 0.176 0.000 0.778 10 D N -1.847 118.651 120.400 0.164 0.000 2.218 10 D HA -0.170 4.469 4.640 -0.002 0.000 0.204 10 D C 1.574 177.911 176.300 0.061 0.000 0.976 10 D CA 0.524 54.584 54.000 0.099 0.000 0.853 10 D CB -0.705 40.130 40.800 0.058 0.000 0.939 10 D HN 0.028 nan 8.370 nan 0.000 0.481 11 F N -0.545 119.343 119.950 -0.103 0.000 2.091 11 F HA -0.175 4.351 4.527 -0.002 0.000 0.299 11 F C 1.556 177.133 175.800 -0.372 0.000 1.103 11 F CA 1.719 59.531 58.000 -0.313 0.000 1.228 11 F CB -0.440 38.244 39.000 -0.527 0.000 0.984 11 F HN 0.048 nan 8.300 nan 0.000 0.477 12 W N 0.443 121.843 121.300 0.167 0.000 2.409 12 W HA -0.096 4.563 4.660 -0.002 0.000 0.299 12 W C 2.329 178.832 176.519 -0.026 0.000 1.203 12 W CA 0.764 58.148 57.345 0.066 0.000 1.298 12 W CB -0.800 28.747 29.460 0.145 0.000 1.127 12 W HN -0.082 nan 8.180 nan 0.000 0.528 13 N N 0.494 119.304 118.700 0.183 0.000 2.166 13 N HA -0.154 4.585 4.740 -0.002 0.000 0.186 13 N C 1.698 177.209 175.510 0.002 0.000 1.019 13 N CA 1.355 54.459 53.050 0.090 0.000 0.856 13 N CB -0.698 37.838 38.487 0.082 0.000 0.993 13 N HN 0.209 nan 8.380 nan 0.000 0.426 14 R N 1.199 121.658 120.500 -0.069 0.000 2.073 14 R HA -0.100 4.239 4.340 -0.002 0.000 0.234 14 R C 1.943 178.149 176.300 -0.157 0.000 1.134 14 R CA 1.225 57.251 56.100 -0.124 0.000 0.952 14 R CB -0.074 30.118 30.300 -0.180 0.000 0.850 14 R HN 0.130 nan 8.270 nan 0.000 0.433 15 E N 0.480 120.531 120.200 -0.248 0.000 2.051 15 E HA -0.182 4.167 4.350 -0.002 0.000 0.192 15 E C 1.664 178.217 176.600 -0.080 0.000 0.991 15 E CA 1.612 57.876 56.400 -0.228 0.000 0.799 15 E CB -0.117 29.383 29.700 -0.333 0.000 0.748 15 E HN 0.465 nan 8.360 nan 0.000 0.449 16 A N 1.152 123.964 122.820 -0.013 0.000 1.929 16 A HA 0.030 4.349 4.320 -0.002 0.000 0.216 16 A C 2.448 180.033 177.584 0.003 0.000 1.176 16 A CA 1.867 53.919 52.037 0.025 0.000 0.628 16 A CB -0.663 18.377 19.000 0.067 0.000 0.816 16 A HN 0.355 nan 8.150 nan 0.000 0.444 17 A N 0.089 122.903 122.820 -0.009 0.000 1.908 17 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 17 A C 1.899 179.468 177.584 -0.025 0.000 1.181 17 A CA 1.844 53.872 52.037 -0.015 0.000 0.627 17 A CB -0.572 18.417 19.000 -0.019 0.000 0.818 17 A HN 0.637 nan 8.150 nan 0.000 0.445 18 E N -0.345 119.828 120.200 -0.044 0.000 2.077 18 E HA -0.076 4.273 4.350 -0.002 0.000 0.193 18 E C 2.332 178.912 176.600 -0.034 0.000 0.989 18 E CA 0.942 57.313 56.400 -0.048 0.000 0.800 18 E CB -0.307 29.349 29.700 -0.074 0.000 0.746 18 E HN 0.627 nan 8.360 nan 0.000 0.452 19 A N 1.150 123.954 122.820 -0.026 0.000 1.883 19 A HA -0.184 4.136 4.320 -0.002 0.000 0.217 19 A C 2.194 179.775 177.584 -0.006 0.000 1.186 19 A CA 1.168 53.199 52.037 -0.011 0.000 0.624 19 A CB -0.700 18.303 19.000 0.005 0.000 0.822 19 A HN 0.146 nan 8.150 nan 0.000 0.444 20 L N -0.739 120.482 121.223 -0.002 0.000 2.083 20 L HA -0.133 4.206 4.340 -0.002 0.000 0.209 20 L C 2.838 179.706 176.870 -0.004 0.000 1.083 20 L CA 1.038 55.879 54.840 0.001 0.000 0.752 20 L CB -0.802 41.259 42.059 0.004 0.000 0.899 20 L HN 0.509 nan 8.230 nan 0.000 0.433 21 G N -0.421 108.373 108.800 -0.011 0.000 2.421 21 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.216 21 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.216 21 G C 1.755 176.646 174.900 -0.014 0.000 1.171 21 G CA 0.825 45.917 45.100 -0.013 0.000 0.775 21 G HN 0.471 nan 8.290 nan 0.000 0.543 22 A N 1.043 123.851 122.820 -0.019 0.000 1.930 22 A HA 0.333 4.652 4.320 -0.002 0.000 0.217 22 A C 2.799 180.369 177.584 -0.023 0.000 1.175 22 A CA 2.101 54.123 52.037 -0.025 0.000 0.627 22 A CB -0.705 18.276 19.000 -0.031 0.000 0.815 22 A HN 0.769 nan 8.150 nan 0.000 0.443 23 A N -0.003 122.808 122.820 -0.015 0.000 1.902 23 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 23 A C 2.070 179.657 177.584 0.005 0.000 1.181 23 A CA 1.834 53.867 52.037 -0.007 0.000 0.623 23 A CB -0.395 18.608 19.000 0.005 0.000 0.818 23 A HN 0.537 nan 8.150 nan 0.000 0.443 24 K N -0.237 120.165 120.400 0.003 0.000 2.288 24 K HA -0.039 4.280 4.320 -0.002 0.000 0.201 24 K C 1.777 178.380 176.600 0.005 0.000 1.048 24 K CA 1.212 57.503 56.287 0.006 0.000 0.956 24 K CB -0.039 32.462 32.500 0.003 0.000 0.746 24 K HN 0.419 nan 8.250 nan 0.000 0.461 25 K N 0.239 120.639 120.400 -0.001 0.000 2.305 25 K HA 0.009 4.328 4.320 -0.002 0.000 0.199 25 K C 0.021 176.624 176.600 0.006 0.000 1.047 25 K CA 0.041 56.327 56.287 -0.002 0.000 0.976 25 K CB 0.077 32.571 32.500 -0.010 0.000 0.765 25 K HN -0.042 nan 8.250 nan 0.000 0.474 26 L N 2.546 123.776 121.223 0.012 0.000 2.601 26 L HA -0.069 4.270 4.340 -0.002 0.000 0.277 26 L C -0.071 176.836 176.870 0.061 0.000 1.219 26 L CA 1.341 56.207 54.840 0.044 0.000 0.915 26 L CB -0.212 41.879 42.059 0.054 0.000 1.160 26 L HN 0.147 nan 8.230 nan 0.000 0.494 27 Q N 4.660 124.496 119.800 0.060 0.000 2.372 27 Q HA 0.527 4.866 4.340 -0.002 0.000 0.273 27 Q C -2.170 173.811 176.000 -0.032 0.000 1.078 27 Q CA -1.777 54.029 55.803 0.005 0.000 0.806 27 Q CB 2.226 30.959 28.738 -0.009 0.000 1.332 27 Q HN 0.460 nan 8.270 nan 0.000 0.435 28 P HA 0.220 nan 4.420 nan 0.000 0.275 28 P C -1.169 176.030 177.300 -0.167 0.000 1.227 28 P CA -0.255 62.572 63.100 -0.456 0.000 0.781 28 P CB 0.786 31.905 31.700 -0.968 0.000 0.906 29 A N 2.514 125.320 122.820 -0.025 0.000 2.407 29 A HA 0.106 4.425 4.320 -0.002 0.000 0.248 29 A C 0.981 178.593 177.584 0.047 0.000 1.082 29 A CA -0.196 51.863 52.037 0.037 0.000 0.785 29 A CB 0.044 19.093 19.000 0.081 0.000 1.020 29 A HN 0.643 nan 8.150 nan 0.000 0.489 30 Q N -0.199 119.620 119.800 0.031 0.000 2.282 30 Q HA 0.065 4.404 4.340 -0.002 0.000 0.206 30 Q C 0.107 176.126 176.000 0.030 0.000 0.878 30 Q CA 0.572 56.398 55.803 0.038 0.000 0.944 30 Q CB 0.349 29.099 28.738 0.020 0.000 1.100 30 Q HN 0.939 nan 8.270 nan 0.000 0.509 31 T N -2.486 112.082 114.554 0.024 0.000 2.945 31 T HA 0.740 5.089 4.350 -0.002 0.000 0.286 31 T C 0.049 174.741 174.700 -0.013 0.000 1.025 31 T CA -0.842 61.259 62.100 0.001 0.000 1.039 31 T CB 2.029 70.897 68.868 0.001 0.000 1.068 31 T HN 0.091 nan 8.240 nan 0.000 0.497 32 A N 1.147 123.939 122.820 -0.046 0.000 2.296 32 A HA 0.736 5.055 4.320 -0.002 0.000 0.264 32 A C 0.643 178.194 177.584 -0.055 0.000 1.097 32 A CA -0.538 51.450 52.037 -0.082 0.000 0.811 32 A CB -0.412 18.521 19.000 -0.111 0.000 1.072 32 A HN 1.429 nan 8.150 nan 0.000 0.495 33 A N 0.062 122.843 122.820 -0.065 0.000 2.309 33 A HA 0.422 4.742 4.320 -0.002 0.000 0.290 33 A C 1.108 178.645 177.584 -0.078 0.000 1.206 33 A CA -0.191 51.809 52.037 -0.061 0.000 0.850 33 A CB 0.308 19.277 19.000 -0.053 0.000 1.118 33 A HN 0.959 nan 8.150 nan 0.000 0.523 34 K N 2.177 122.524 120.400 -0.088 0.000 2.057 34 K HA -0.074 4.245 4.320 -0.002 0.000 0.206 34 K C -0.056 176.432 176.600 -0.187 0.000 1.050 34 K CA 1.103 57.329 56.287 -0.101 0.000 0.935 34 K CB -0.048 32.403 32.500 -0.081 0.000 0.715 34 K HN 0.791 nan 8.250 nan 0.000 0.439 35 N N 0.329 118.849 118.700 -0.299 0.000 2.335 35 N HA 0.350 5.089 4.740 -0.002 0.000 0.304 35 N C -1.196 174.075 175.510 -0.398 0.000 1.135 35 N CA -0.471 52.214 53.050 -0.608 0.000 0.817 35 N CB 1.930 39.759 38.487 -1.095 0.000 1.294 35 N HN 0.002 nan 8.380 nan 0.000 0.497 36 L N 1.726 122.708 121.223 -0.402 0.000 2.409 36 L HA 0.605 4.944 4.340 -0.002 0.000 0.272 36 L C -0.725 175.903 176.870 -0.403 0.000 0.980 36 L CA -0.564 54.121 54.840 -0.257 0.000 0.826 36 L CB 1.907 43.924 42.059 -0.070 0.000 1.268 36 L HN 0.339 nan 8.230 nan 0.000 0.407 37 I N 4.288 124.666 120.570 -0.321 0.000 2.466 37 I HA 0.452 4.621 4.170 -0.002 0.000 0.289 37 I C -0.760 175.108 176.117 -0.416 0.000 1.026 37 I CA -0.472 60.558 61.300 -0.450 0.000 1.078 37 I CB 2.779 40.538 38.000 -0.402 0.000 1.249 37 I HN 0.502 nan 8.210 nan 0.000 0.429 38 I N 6.080 126.364 120.570 -0.476 0.000 2.339 38 I HA 0.435 4.604 4.170 -0.002 0.000 0.290 38 I C -1.239 174.657 176.117 -0.369 0.000 0.994 38 I CA -0.396 60.777 61.300 -0.211 0.000 1.191 38 I CB 0.776 38.817 38.000 0.068 0.000 1.343 38 I HN 0.338 nan 8.210 nan 0.000 0.458 39 F N 7.996 127.947 119.950 0.002 0.000 2.405 39 F HA 0.381 4.907 4.527 -0.001 0.000 0.355 39 F C -0.238 175.658 175.800 0.160 0.000 1.121 39 F CA -0.671 57.366 58.000 0.062 0.000 1.112 39 F CB 1.202 40.171 39.000 -0.052 0.000 1.126 39 F HN 0.238 nan 8.300 nan 0.000 0.481 40 L N 4.067 125.360 121.223 0.118 0.000 2.316 40 L HA 0.548 4.888 4.340 -0.002 0.000 0.280 40 L C -0.042 176.516 176.870 -0.520 0.000 1.006 40 L CA -0.175 54.567 54.840 -0.162 0.000 0.836 40 L CB 0.871 42.786 42.059 -0.241 0.000 1.221 40 L HN 0.702 nan 8.230 nan 0.000 0.418 41 G N 3.960 112.352 108.800 -0.681 0.000 2.391 41 G HA2 0.075 4.034 3.960 -0.002 0.000 0.305 41 G HA3 0.075 4.034 3.960 -0.002 0.000 0.305 41 G C -0.165 174.433 174.900 -0.503 0.000 1.072 41 G CA -0.363 44.114 45.100 -1.038 0.000 1.016 41 G HN 0.671 nan 8.290 nan 0.000 0.418 42 D N 2.152 122.298 120.400 -0.422 0.000 2.358 42 D HA 0.338 4.977 4.640 -0.002 0.000 0.258 42 D C 1.412 177.582 176.300 -0.217 0.000 1.223 42 D CA 1.211 55.052 54.000 -0.266 0.000 0.886 42 D CB 0.793 41.523 40.800 -0.115 0.000 1.120 42 D HN 0.724 nan 8.370 nan 0.000 0.482 43 G N 4.184 112.765 108.800 -0.365 0.000 2.176 43 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.253 43 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.253 43 G C 0.680 175.651 174.900 0.117 0.000 0.979 43 G CA 0.246 45.325 45.100 -0.035 0.000 0.641 43 G HN 0.560 nan 8.290 nan 0.000 0.530 44 M N 2.393 121.959 119.600 -0.056 0.000 3.422 44 M HA 0.446 4.925 4.480 -0.002 0.000 0.248 44 M C 1.121 177.463 176.300 0.070 0.000 1.433 44 M CA 0.506 55.814 55.300 0.014 0.000 1.592 44 M CB -0.721 31.838 32.600 -0.068 0.000 1.078 44 M HN 0.287 nan 8.290 nan 0.000 0.578 45 G N 1.056 109.932 108.800 0.127 0.000 2.588 45 G HA2 0.268 4.228 3.960 -0.002 0.000 0.278 45 G HA3 0.268 4.228 3.960 -0.002 0.000 0.278 45 G C 0.756 175.749 174.900 0.155 0.000 1.307 45 G CA -0.738 44.440 45.100 0.129 0.000 1.016 45 G HN 0.413 nan 8.290 nan 0.000 0.503 46 V N 0.700 120.694 119.914 0.133 0.000 2.407 46 V HA -0.210 3.909 4.120 -0.002 0.000 0.248 46 V C 3.215 179.409 176.094 0.166 0.000 1.055 46 V CA 2.629 65.008 62.300 0.133 0.000 1.049 46 V CB -0.601 31.275 31.823 0.088 0.000 0.662 46 V HN 0.846 nan 8.190 nan 0.000 0.455 47 S N -0.807 115.009 115.700 0.193 0.000 2.402 47 S HA -0.190 4.279 4.470 -0.002 0.000 0.229 47 S C 1.905 176.747 174.600 0.403 0.000 1.021 47 S CA 1.697 60.038 58.200 0.236 0.000 0.974 47 S CB -0.665 62.625 63.200 0.151 0.000 0.800 47 S HN 0.568 nan 8.310 nan 0.000 0.484 48 T N 2.420 117.222 114.554 0.413 0.000 2.777 48 T HA 0.007 4.356 4.350 -0.002 0.000 0.266 48 T C 1.927 176.734 174.700 0.178 0.000 1.040 48 T CA 1.347 63.636 62.100 0.315 0.000 1.141 48 T CB -0.572 68.437 68.868 0.236 0.000 0.868 48 T HN 0.280 nan 8.240 nan 0.000 0.444 49 V N 1.713 121.723 119.914 0.160 0.000 2.255 49 V HA -0.212 3.908 4.120 -0.002 0.000 0.247 49 V C 2.809 178.953 176.094 0.083 0.000 1.051 49 V CA 2.162 64.530 62.300 0.113 0.000 1.018 49 V CB -1.232 30.692 31.823 0.168 0.000 0.641 49 V HN 0.524 nan 8.190 nan 0.000 0.445 50 T N 0.385 115.006 114.554 0.112 0.000 2.708 50 T HA -0.174 4.175 4.350 -0.002 0.000 0.266 50 T C 2.070 176.765 174.700 -0.008 0.000 1.037 50 T CA 1.686 63.836 62.100 0.083 0.000 1.146 50 T CB -0.508 68.446 68.868 0.145 0.000 0.865 50 T HN 0.573 nan 8.240 nan 0.000 0.435 51 A N 1.567 124.375 122.820 -0.020 0.000 1.908 51 A HA 0.086 4.405 4.320 -0.002 0.000 0.218 51 A C 2.671 180.153 177.584 -0.169 0.000 1.181 51 A CA 1.987 53.908 52.037 -0.193 0.000 0.627 51 A CB -1.202 17.809 19.000 0.019 0.000 0.818 51 A HN 0.518 nan 8.150 nan 0.000 0.445 52 A N -0.377 122.400 122.820 -0.072 0.000 1.908 52 A HA -0.208 4.112 4.320 -0.002 0.000 0.218 52 A C 2.268 179.796 177.584 -0.094 0.000 1.181 52 A CA 1.856 53.841 52.037 -0.087 0.000 0.627 52 A CB -0.548 18.422 19.000 -0.050 0.000 0.818 52 A HN 0.575 nan 8.150 nan 0.000 0.445 53 R N -0.299 120.159 120.500 -0.069 0.000 2.083 53 R HA -0.115 4.224 4.340 -0.002 0.000 0.237 53 R C 1.984 178.241 176.300 -0.072 0.000 1.137 53 R CA 1.865 57.929 56.100 -0.059 0.000 0.951 53 R CB -0.408 29.878 30.300 -0.023 0.000 0.851 53 R HN 0.562 nan 8.270 nan 0.000 0.434 54 I N 0.758 121.266 120.570 -0.104 0.000 2.179 54 I HA -0.299 3.870 4.170 -0.002 0.000 0.242 54 I C 2.376 178.410 176.117 -0.138 0.000 1.088 54 I CA 0.759 61.987 61.300 -0.120 0.000 1.357 54 I CB -0.294 37.590 38.000 -0.192 0.000 1.051 54 I HN 0.248 nan 8.210 nan 0.000 0.409 55 L N 1.244 122.353 121.223 -0.189 0.000 2.012 55 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 55 L C 2.464 179.274 176.870 -0.100 0.000 1.073 55 L CA 1.989 56.725 54.840 -0.173 0.000 0.748 55 L CB -0.733 41.200 42.059 -0.212 0.000 0.891 55 L HN 0.105 nan 8.230 nan 0.000 0.431 56 K N -1.046 119.299 120.400 -0.092 0.000 2.057 56 K HA -0.121 4.198 4.320 -0.002 0.000 0.207 56 K C 1.991 178.559 176.600 -0.053 0.000 1.049 56 K CA 1.308 57.554 56.287 -0.070 0.000 0.931 56 K CB -0.608 31.848 32.500 -0.074 0.000 0.714 56 K HN 0.501 nan 8.250 nan 0.000 0.440 57 G N 0.600 109.369 108.800 -0.051 0.000 2.440 57 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.218 57 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.218 57 G C 1.272 176.156 174.900 -0.027 0.000 1.154 57 G CA 0.693 45.773 45.100 -0.032 0.000 0.767 57 G HN 0.419 nan 8.290 nan 0.000 0.552 58 Q N -0.264 119.515 119.800 -0.034 0.000 2.187 58 Q HA 0.052 4.391 4.340 -0.002 0.000 0.199 58 Q C 2.421 178.413 176.000 -0.014 0.000 0.957 58 Q CA 0.926 56.716 55.803 -0.022 0.000 0.857 58 Q CB -0.086 28.635 28.738 -0.028 0.000 0.929 58 Q HN 0.511 nan 8.270 nan 0.000 0.453 59 K N 1.460 121.847 120.400 -0.020 0.000 2.074 59 K HA -0.154 4.165 4.320 -0.002 0.000 0.209 59 K C 0.705 177.298 176.600 -0.013 0.000 1.048 59 K CA 1.072 57.351 56.287 -0.013 0.000 0.926 59 K CB 0.185 32.670 32.500 -0.026 0.000 0.713 59 K HN -0.002 nan 8.250 nan 0.000 0.444 60 K N -0.308 120.081 120.400 -0.019 0.000 2.774 60 K HA -0.004 4.315 4.320 -0.002 0.000 0.297 60 K C 0.912 177.506 176.600 -0.011 0.000 1.044 60 K CA 0.800 57.077 56.287 -0.016 0.000 1.011 60 K CB 0.027 32.514 32.500 -0.020 0.000 1.214 60 K HN 0.221 nan 8.250 nan 0.000 0.477 61 D N 1.250 121.644 120.400 -0.009 0.000 2.587 61 D HA 0.070 4.709 4.640 -0.002 0.000 0.233 61 D C -0.197 176.100 176.300 -0.006 0.000 1.213 61 D CA 0.006 54.002 54.000 -0.006 0.000 0.827 61 D CB 0.030 40.826 40.800 -0.006 0.000 1.006 61 D HN 0.093 nan 8.370 nan 0.000 0.490 62 K N -0.718 119.678 120.400 -0.006 0.000 2.313 62 K HA 0.592 4.911 4.320 -0.002 0.000 0.235 62 K C 1.045 177.643 176.600 -0.002 0.000 1.035 62 K CA -0.778 55.507 56.287 -0.003 0.000 0.868 62 K CB 1.738 34.237 32.500 -0.001 0.000 1.232 62 K HN 0.064 nan 8.250 nan 0.000 0.459 63 L N 0.237 121.463 121.223 0.004 0.000 2.240 63 L HA -0.027 4.312 4.340 -0.002 0.000 0.211 63 L C 1.400 178.275 176.870 0.008 0.000 1.106 63 L CA 1.524 56.369 54.840 0.008 0.000 0.793 63 L CB -0.229 41.840 42.059 0.017 0.000 0.927 63 L HN 1.081 nan 8.230 nan 0.000 0.446 64 G N -0.853 107.953 108.800 0.009 0.000 2.169 64 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.173 64 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.173 64 G C -1.835 173.075 174.900 0.016 0.000 2.429 64 G CA 0.148 45.246 45.100 -0.004 0.000 1.467 64 G HN 0.033 nan 8.290 nan 0.000 0.454 65 P HA 0.037 nan 4.420 nan 0.000 0.226 65 P C 1.322 178.676 177.300 0.090 0.000 1.153 65 P CA 1.774 64.916 63.100 0.070 0.000 0.777 65 P CB -0.002 31.762 31.700 0.105 0.000 0.794 66 E N -0.117 120.143 120.200 0.099 0.000 2.435 66 E HA -0.031 4.318 4.350 -0.002 0.000 0.195 66 E C 0.560 177.205 176.600 0.076 0.000 1.029 66 E CA 0.344 56.817 56.400 0.122 0.000 0.865 66 E CB -0.363 29.426 29.700 0.148 0.000 0.833 66 E HN 0.195 nan 8.360 nan 0.000 0.510 67 I N 3.698 124.294 120.570 0.044 0.000 2.312 67 I HA 0.282 4.451 4.170 -0.002 0.000 0.291 67 I C -2.302 173.819 176.117 0.005 0.000 1.031 67 I CA -2.939 58.371 61.300 0.017 0.000 1.293 67 I CB 0.497 38.497 38.000 -0.000 0.000 1.403 67 I HN -0.208 nan 8.210 nan 0.000 0.484 68 P HA 0.202 nan 4.420 nan 0.000 0.271 68 P C -0.033 177.239 177.300 -0.047 0.000 1.216 68 P CA -0.285 62.806 63.100 -0.014 0.000 0.771 68 P CB 0.622 32.316 31.700 -0.009 0.000 0.864 69 L N 1.915 123.093 121.223 -0.075 0.000 2.473 69 L HA 0.104 4.443 4.340 -0.002 0.000 0.268 69 L C 1.924 178.707 176.870 -0.145 0.000 1.215 69 L CA -0.168 54.593 54.840 -0.130 0.000 0.823 69 L CB -0.015 41.933 42.059 -0.184 0.000 1.099 69 L HN 0.437 nan 8.230 nan 0.000 0.483 70 A N 3.048 125.765 122.820 -0.172 0.000 1.917 70 A HA -0.246 4.073 4.320 -0.002 0.000 0.219 70 A C 2.109 179.599 177.584 -0.156 0.000 1.182 70 A CA 2.304 54.255 52.037 -0.142 0.000 0.633 70 A CB -0.679 18.214 19.000 -0.178 0.000 0.819 70 A HN 0.919 nan 8.150 nan 0.000 0.448 71 M N -1.398 117.927 119.600 -0.458 0.000 2.213 71 M HA -0.132 4.347 4.480 -0.002 0.000 0.263 71 M C 0.853 176.764 176.300 -0.648 0.000 1.062 71 M CA 2.260 57.012 55.300 -0.913 0.000 1.105 71 M CB -0.886 30.904 32.600 -1.350 0.000 1.385 71 M HN 0.111 nan 8.290 nan 0.000 0.417 72 D N 1.397 121.596 120.400 -0.335 0.000 2.263 72 D HA -0.079 4.560 4.640 -0.002 0.000 0.208 72 D C 1.950 178.290 176.300 0.068 0.000 0.971 72 D CA 1.019 54.980 54.000 -0.066 0.000 0.867 72 D CB -0.275 40.511 40.800 -0.023 0.000 0.929 72 D HN 0.565 nan 8.370 nan 0.000 0.492 73 R N -0.405 120.146 120.500 0.085 0.000 2.275 73 R HA 0.036 4.375 4.340 -0.002 0.000 0.199 73 R C 0.232 176.637 176.300 0.175 0.000 0.989 73 R CA -0.154 56.008 56.100 0.102 0.000 1.016 73 R CB -0.002 30.327 30.300 0.048 0.000 0.918 73 R HN 0.062 nan 8.270 nan 0.000 0.473 74 F N 2.438 122.373 119.950 -0.024 0.000 2.538 74 F HA 0.069 4.595 4.527 -0.001 0.000 0.371 74 F C -0.927 174.882 175.800 0.016 0.000 1.087 74 F CA -2.249 55.771 58.000 0.033 0.000 1.250 74 F CB 0.466 39.548 39.000 0.137 0.000 1.110 74 F HN -0.097 nan 8.300 nan 0.000 0.570 75 P HA -0.127 nan 4.420 nan 0.000 0.220 75 P C -0.558 176.522 177.300 -0.366 0.000 1.152 75 P CA 1.377 64.293 63.100 -0.307 0.000 0.812 75 P CB 0.183 31.484 31.700 -0.664 0.000 0.792 76 Y N -0.680 119.752 120.300 0.221 0.000 2.352 76 Y HA 0.463 5.012 4.550 -0.002 0.000 0.339 76 Y C 0.282 176.281 175.900 0.165 0.000 0.992 76 Y CA -1.094 57.116 58.100 0.183 0.000 1.100 76 Y CB 1.799 40.371 38.460 0.187 0.000 1.192 76 Y HN -0.364 nan 8.280 nan 0.000 0.458 77 V N 2.659 122.708 119.914 0.225 0.000 2.709 77 V HA 0.930 5.049 4.120 -0.002 0.000 0.308 77 V C -0.505 175.590 176.094 0.002 0.000 1.062 77 V CA -0.826 61.486 62.300 0.018 0.000 0.901 77 V CB 1.719 33.495 31.823 -0.079 0.000 1.003 77 V HN 0.902 nan 8.190 nan 0.000 0.425 78 A N 4.240 127.011 122.820 -0.081 0.000 2.527 78 A HA 0.937 5.256 4.320 -0.002 0.000 0.293 78 A C -1.425 176.079 177.584 -0.132 0.000 1.117 78 A CA -0.685 51.291 52.037 -0.103 0.000 0.723 78 A CB 1.557 20.485 19.000 -0.120 0.000 1.313 78 A HN 0.732 nan 8.150 nan 0.000 0.411 79 L N 1.129 122.280 121.223 -0.119 0.000 2.307 79 L HA 0.585 4.924 4.340 -0.002 0.000 0.282 79 L C 0.445 177.273 176.870 -0.071 0.000 1.051 79 L CA -0.429 54.357 54.840 -0.090 0.000 0.804 79 L CB 1.857 43.876 42.059 -0.068 0.000 1.197 79 L HN 0.659 nan 8.230 nan 0.000 0.431 80 S N 3.186 118.867 115.700 -0.031 0.000 2.449 80 S HA 0.384 4.853 4.470 -0.002 0.000 0.310 80 S C -0.519 174.103 174.600 0.038 0.000 1.096 80 S CA -0.851 57.354 58.200 0.008 0.000 1.095 80 S CB 0.673 63.894 63.200 0.035 0.000 1.007 80 S HN 0.458 nan 8.310 nan 0.000 0.474 81 K N 3.346 123.779 120.400 0.055 0.000 2.285 81 K HA 0.197 4.516 4.320 -0.002 0.000 0.286 81 K C 0.992 177.641 176.600 0.082 0.000 1.072 81 K CA -0.218 56.138 56.287 0.115 0.000 0.913 81 K CB 0.812 33.424 32.500 0.187 0.000 1.067 81 K HN 0.789 nan 8.250 nan 0.000 0.479 82 T N -1.176 113.455 114.554 0.129 0.000 3.086 82 T HA -0.017 4.333 4.350 -0.002 0.000 0.250 82 T C 0.660 175.418 174.700 0.096 0.000 1.074 82 T CA -0.384 61.777 62.100 0.103 0.000 0.988 82 T CB -0.445 68.518 68.868 0.158 0.000 0.988 82 T HN 0.504 nan 8.240 nan 0.000 0.530 83 Y N 2.419 122.797 120.300 0.129 0.000 2.903 83 Y HA 0.349 4.898 4.550 -0.002 0.000 0.338 83 Y C 0.038 176.027 175.900 0.148 0.000 1.265 83 Y CA -1.759 56.431 58.100 0.150 0.000 1.532 83 Y CB -0.224 38.331 38.460 0.158 0.000 1.293 83 Y HN -0.102 nan 8.280 nan 0.000 0.609 84 N N 2.025 120.868 118.700 0.238 0.000 2.408 84 N HA 0.111 4.850 4.740 -0.002 0.000 0.260 84 N C 1.047 176.709 175.510 0.253 0.000 1.242 84 N CA -0.429 52.719 53.050 0.162 0.000 0.959 84 N CB 1.319 39.934 38.487 0.212 0.000 1.201 84 N HN 0.635 nan 8.380 nan 0.000 0.511 85 V N 0.393 120.408 119.914 0.168 0.000 2.343 85 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 85 V C 1.567 177.753 176.094 0.153 0.000 1.051 85 V CA 2.131 64.546 62.300 0.191 0.000 1.036 85 V CB -0.529 31.363 31.823 0.117 0.000 0.654 85 V HN 0.736 nan 8.190 nan 0.000 0.451 86 D N -1.125 119.336 120.400 0.102 0.000 2.367 86 D HA 0.030 4.669 4.640 -0.002 0.000 0.207 86 D C 0.639 176.901 176.300 -0.063 0.000 1.034 86 D CA 0.277 54.289 54.000 0.019 0.000 0.861 86 D CB 0.246 41.053 40.800 0.013 0.000 0.943 86 D HN 0.373 nan 8.370 nan 0.000 0.515 87 K N -0.492 119.902 120.400 -0.010 0.000 2.501 87 K HA 0.269 4.588 4.320 -0.002 0.000 0.252 87 K C -0.097 176.556 176.600 0.088 0.000 0.934 87 K CA -0.650 55.574 56.287 -0.104 0.000 0.797 87 K CB 1.931 34.273 32.500 -0.263 0.000 1.270 87 K HN -0.079 nan 8.250 nan 0.000 0.431 88 H N -0.134 118.960 119.070 0.040 0.000 2.389 88 H HA -0.026 4.529 4.556 -0.001 0.000 0.299 88 H C 0.441 175.846 175.328 0.129 0.000 1.081 88 H CA 0.592 56.692 56.048 0.087 0.000 1.345 88 H CB 0.487 30.260 29.762 0.017 0.000 1.393 88 H HN 0.036 nan 8.280 nan 0.000 0.520 89 V N 4.178 124.218 119.914 0.209 0.000 2.333 89 V HA 0.178 4.297 4.120 -0.002 0.000 0.274 89 V C -1.866 174.380 176.094 0.253 0.000 1.028 89 V CA -1.578 60.835 62.300 0.188 0.000 0.851 89 V CB 1.442 33.341 31.823 0.128 0.000 1.000 89 V HN 0.158 nan 8.190 nan 0.000 0.456 90 P HA 0.402 nan 4.420 nan 0.000 0.287 90 P C -1.152 176.341 177.300 0.321 0.000 1.296 90 P CA -0.352 62.965 63.100 0.362 0.000 0.811 90 P CB 1.482 33.326 31.700 0.240 0.000 1.211 94 A N 1.096 123.855 122.820 -0.103 0.000 2.014 94 A HA 0.190 4.509 4.320 -0.002 0.000 0.218 94 A C 2.540 180.107 177.584 -0.028 0.000 1.163 94 A CA 2.903 54.905 52.037 -0.058 0.000 0.652 94 A CB -0.994 17.997 19.000 -0.015 0.000 0.808 94 A HN 1.002 nan 8.150 nan 0.000 0.449 95 T N -1.856 112.720 114.554 0.038 0.000 2.821 95 T HA 0.030 4.379 4.350 -0.002 0.000 0.267 95 T C 1.990 176.622 174.700 -0.114 0.000 1.046 95 T CA 1.496 63.669 62.100 0.121 0.000 1.139 95 T CB -0.659 68.404 68.868 0.324 0.000 0.871 95 T HN 0.531 nan 8.240 nan 0.000 0.454 96 A N 1.981 124.633 122.820 -0.279 0.000 1.892 96 A HA -0.132 4.187 4.320 -0.002 0.000 0.218 96 A C 2.645 179.847 177.584 -0.636 0.000 1.188 96 A CA 2.445 53.989 52.037 -0.822 0.000 0.631 96 A CB -1.710 17.069 19.000 -0.370 0.000 0.822 96 A HN 0.568 nan 8.150 nan 0.000 0.447 97 T N 0.281 114.644 114.554 -0.317 0.000 2.720 97 T HA -0.074 4.276 4.350 -0.002 0.000 0.268 97 T C 2.189 176.795 174.700 -0.157 0.000 1.037 97 T CA 1.792 63.773 62.100 -0.198 0.000 1.144 97 T CB -0.514 68.289 68.868 -0.109 0.000 0.864 97 T HN 0.648 nan 8.240 nan 0.000 0.444 98 A N 1.665 124.409 122.820 -0.128 0.000 1.845 98 A HA -0.080 4.239 4.320 -0.002 0.000 0.215 98 A C 2.150 179.754 177.584 0.034 0.000 1.195 98 A CA 1.832 53.860 52.037 -0.016 0.000 0.616 98 A CB -1.059 17.963 19.000 0.035 0.000 0.832 98 A HN 0.777 nan 8.150 nan 0.000 0.443 99 Y N -1.450 118.907 120.300 0.094 0.000 2.546 99 Y HA 0.420 4.969 4.550 -0.001 0.000 0.287 99 Y C 1.346 177.332 175.900 0.142 0.000 1.158 99 Y CA 0.450 58.629 58.100 0.131 0.000 1.307 99 Y CB -0.363 38.187 38.460 0.150 0.000 1.036 99 Y HN 0.132 nan 8.280 nan 0.000 0.532 100 L N -1.620 119.518 121.223 -0.142 0.000 2.577 100 L HA 0.120 4.459 4.340 -0.002 0.000 0.225 100 L C 1.271 178.095 176.870 -0.076 0.000 1.053 100 L CA 0.262 55.076 54.840 -0.044 0.000 0.866 100 L CB 0.101 42.058 42.059 -0.170 0.000 1.132 100 L HN 0.230 nan 8.230 nan 0.000 0.486 101 C N -0.365 118.872 119.300 -0.104 0.000 3.188 101 C HA 0.458 4.917 4.460 -0.002 0.000 0.315 101 C C 1.617 176.564 174.990 -0.072 0.000 1.285 101 C CA 0.082 59.048 59.018 -0.086 0.000 1.729 101 C CB -0.039 27.659 27.740 -0.069 0.000 2.257 101 C HN 0.735 nan 8.230 nan 0.000 0.645 102 G N 1.091 109.882 108.800 -0.015 0.000 2.137 102 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.237 102 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.237 102 G C -0.226 174.796 174.900 0.204 0.000 1.002 102 G CA 0.451 45.609 45.100 0.097 0.000 0.702 102 G HN 0.495 nan 8.290 nan 0.000 0.515 103 V N 0.209 120.177 119.914 0.090 0.000 2.733 103 V HA 0.454 4.573 4.120 -0.002 0.000 0.306 103 V C 0.256 176.367 176.094 0.027 0.000 1.084 103 V CA -1.351 60.992 62.300 0.072 0.000 0.905 103 V CB 2.004 33.857 31.823 0.049 0.000 1.010 103 V HN 0.294 nan 8.190 nan 0.000 0.424 104 K N 2.056 122.467 120.400 0.018 0.000 2.154 104 K HA 0.691 5.010 4.320 -0.002 0.000 0.264 104 K C 0.307 176.912 176.600 0.009 0.000 1.008 104 K CA -0.087 56.194 56.287 -0.010 0.000 0.937 104 K CB 1.706 34.173 32.500 -0.055 0.000 1.002 104 K HN 0.912 nan 8.250 nan 0.000 0.469 105 G N 1.026 109.831 108.800 0.008 0.000 2.949 105 G HA2 0.249 4.208 3.960 -0.002 0.000 0.285 105 G HA3 0.249 4.208 3.960 -0.002 0.000 0.285 105 G C -1.070 173.858 174.900 0.047 0.000 1.395 105 G CA -0.706 44.407 45.100 0.021 0.000 0.901 105 G HN 0.468 nan 8.290 nan 0.000 0.519 106 N N -0.137 118.597 118.700 0.056 0.000 2.498 106 N HA 0.238 4.977 4.740 -0.002 0.000 0.287 106 N C -0.312 175.262 175.510 0.107 0.000 1.097 106 N CA -0.395 52.712 53.050 0.095 0.000 0.973 106 N CB 1.615 40.156 38.487 0.091 0.000 1.153 106 N HN 0.382 nan 8.380 nan 0.000 0.472 107 F N 2.048 121.967 119.950 -0.051 0.000 2.369 107 F HA -0.277 4.248 4.527 -0.002 0.000 0.425 107 F C 1.444 177.133 175.800 -0.185 0.000 0.929 107 F CA 1.371 59.305 58.000 -0.111 0.000 1.127 107 F CB 0.117 39.028 39.000 -0.147 0.000 0.883 107 F HN 0.622 nan 8.300 nan 0.000 0.528 108 Q N 0.545 120.061 119.800 -0.473 0.000 2.342 108 Q HA -0.246 4.093 4.340 -0.002 0.000 0.196 108 Q C 0.362 176.294 176.000 -0.113 0.000 0.629 108 Q CA 1.141 56.697 55.803 -0.411 0.000 1.365 108 Q CB -1.722 26.600 28.738 -0.693 0.000 1.406 108 Q HN 0.828 nan 8.270 nan 0.000 0.840 109 T N -1.495 113.021 114.554 -0.063 0.000 2.927 109 T HA 0.776 5.125 4.350 -0.002 0.000 0.281 109 T C 0.149 174.780 174.700 -0.115 0.000 0.998 109 T CA -0.731 61.330 62.100 -0.066 0.000 1.019 109 T CB 1.567 70.424 68.868 -0.017 0.000 1.061 109 T HN 0.230 nan 8.240 nan 0.000 0.518 110 I N 0.561 121.055 120.570 -0.127 0.000 2.569 110 I HA 0.538 4.707 4.170 -0.002 0.000 0.290 110 I C 1.049 177.096 176.117 -0.116 0.000 1.088 110 I CA -0.888 60.318 61.300 -0.156 0.000 1.047 110 I CB 1.909 39.777 38.000 -0.220 0.000 1.237 110 I HN 1.058 nan 8.210 nan 0.000 0.421 111 G N 5.209 113.943 108.800 -0.110 0.000 2.225 111 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.267 111 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.267 111 G C -0.364 174.624 174.900 0.146 0.000 1.024 111 G CA 0.215 45.315 45.100 0.001 0.000 0.784 111 G HN 0.457 nan 8.290 nan 0.000 0.507 112 L N 0.291 121.536 121.223 0.037 0.000 2.370 112 L HA 0.651 4.990 4.340 -0.002 0.000 0.266 112 L C 1.043 177.917 176.870 0.005 0.000 1.002 112 L CA -0.608 54.245 54.840 0.022 0.000 0.818 112 L CB 2.074 44.138 42.059 0.009 0.000 1.325 112 L HN 0.323 nan 8.230 nan 0.000 0.418 113 S N 0.991 116.692 115.700 0.002 0.000 2.596 113 S HA 0.298 4.767 4.470 -0.002 0.000 0.260 113 S C 0.971 175.580 174.600 0.014 0.000 1.336 113 S CA 0.050 58.255 58.200 0.008 0.000 0.993 113 S CB 1.272 64.475 63.200 0.005 0.000 0.923 113 S HN 0.726 nan 8.310 nan 0.000 0.567 114 A N 0.193 123.027 122.820 0.024 0.000 2.252 114 A HA 0.475 4.795 4.320 -0.002 0.000 0.207 114 A C 1.934 179.535 177.584 0.028 0.000 1.194 114 A CA 0.610 52.667 52.037 0.033 0.000 0.809 114 A CB -1.331 17.696 19.000 0.045 0.000 0.814 114 A HN 1.206 nan 8.150 nan 0.000 0.482 115 A N -0.359 122.472 122.820 0.019 0.000 2.067 115 A HA 0.533 4.852 4.320 -0.002 0.000 0.217 115 A C 1.482 179.074 177.584 0.013 0.000 1.156 115 A CA 0.816 52.862 52.037 0.015 0.000 0.683 115 A CB -0.482 18.523 19.000 0.008 0.000 0.808 115 A HN 0.859 nan 8.150 nan 0.000 0.455 116 A N 0.067 122.894 122.820 0.012 0.000 2.313 116 A HA 0.618 4.937 4.320 -0.002 0.000 0.261 116 A C 0.300 177.898 177.584 0.023 0.000 1.090 116 A CA -0.310 51.733 52.037 0.010 0.000 0.807 116 A CB 0.337 19.338 19.000 0.002 0.000 1.055 116 A HN 0.323 nan 8.150 nan 0.000 0.492 117 R N -0.294 120.217 120.500 0.018 0.000 2.686 117 R HA 0.316 4.655 4.340 -0.002 0.000 0.283 117 R C -1.101 175.221 176.300 0.037 0.000 0.978 117 R CA -0.646 55.480 56.100 0.045 0.000 0.897 117 R CB 1.362 31.682 30.300 0.034 0.000 1.192 117 R HN 0.703 nan 8.270 nan 0.000 0.457 118 F N 3.082 122.997 119.950 -0.058 0.000 2.607 118 F HA -0.065 4.462 4.527 -0.001 0.000 0.374 118 F C 1.156 176.884 175.800 -0.119 0.000 1.104 118 F CA 0.326 58.260 58.000 -0.109 0.000 1.296 118 F CB 0.291 39.251 39.000 -0.067 0.000 1.085 118 F HN 0.788 nan 8.300 nan 0.000 0.584 119 N N 2.702 120.752 118.700 -1.083 0.000 2.708 119 N HA -0.271 4.468 4.740 -0.002 0.000 0.251 119 N C -1.052 174.274 175.510 -0.306 0.000 1.123 119 N CA 1.442 53.938 53.050 -0.923 0.000 0.739 119 N CB -1.178 36.615 38.487 -1.156 0.000 1.113 119 N HN 0.838 nan 8.380 nan 0.000 0.561 120 Q N -0.431 119.259 119.800 -0.185 0.000 2.607 120 Q HA 0.278 4.617 4.340 -0.002 0.000 0.247 120 Q C 0.922 176.928 176.000 0.010 0.000 1.033 120 Q CA -0.203 55.574 55.803 -0.043 0.000 0.769 120 Q CB 0.602 29.322 28.738 -0.030 0.000 1.169 120 Q HN 0.423 nan 8.270 nan 0.000 0.508 121 c N 2.859 121.521 118.600 0.104 0.000 2.396 121 c HA -0.176 4.393 4.570 -0.002 0.000 0.277 121 c C 1.939 176.068 174.090 0.064 0.000 1.231 121 c CA 1.887 58.303 56.329 0.145 0.000 1.775 121 c CB -0.493 42.117 42.510 0.167 0.000 2.036 121 c HN 0.928 nan 8.230 nan 0.000 0.484 122 N N 0.415 119.137 118.700 0.036 0.000 2.521 122 N HA -0.054 4.685 4.740 -0.002 0.000 0.188 122 N C 0.932 176.448 175.510 0.010 0.000 1.146 122 N CA 1.431 54.492 53.050 0.018 0.000 0.893 122 N CB -1.092 37.401 38.487 0.010 0.000 0.975 122 N HN 0.728 nan 8.380 nan 0.000 0.451 123 T N -5.656 108.903 114.554 0.010 0.000 3.145 123 T HA 0.199 4.548 4.350 -0.002 0.000 0.255 123 T C 1.055 175.756 174.700 0.002 0.000 1.039 123 T CA -0.198 61.904 62.100 0.003 0.000 0.928 123 T CB -0.188 68.681 68.868 0.002 0.000 1.029 123 T HN -0.026 nan 8.240 nan 0.000 0.554 124 T N 1.756 116.315 114.554 0.008 0.000 2.770 124 T HA 0.128 4.477 4.350 -0.002 0.000 0.258 124 T C 1.050 175.743 174.700 -0.011 0.000 1.039 124 T CA 0.456 62.559 62.100 0.006 0.000 1.143 124 T CB -0.043 68.843 68.868 0.030 0.000 0.866 124 T HN 0.356 nan 8.240 nan 0.000 0.428 125 R N 1.013 121.507 120.500 -0.011 0.000 2.491 125 R HA 0.376 4.715 4.340 -0.002 0.000 0.283 125 R C 1.351 177.633 176.300 -0.031 0.000 1.072 125 R CA 0.761 56.846 56.100 -0.025 0.000 1.048 125 R CB 0.325 30.615 30.300 -0.017 0.000 0.983 125 R HN 0.591 nan 8.270 nan 0.000 0.450 126 G N 2.714 111.486 108.800 -0.047 0.000 2.241 126 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.244 126 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.244 126 G C 0.471 175.340 174.900 -0.051 0.000 0.998 126 G CA 0.302 45.375 45.100 -0.044 0.000 0.621 126 G HN 0.721 nan 8.290 nan 0.000 0.519 127 N N 0.564 119.231 118.700 -0.055 0.000 2.203 127 N HA 0.311 5.050 4.740 -0.002 0.000 0.207 127 N C -0.205 175.260 175.510 -0.074 0.000 1.130 127 N CA -0.224 52.797 53.050 -0.047 0.000 0.861 127 N CB 0.460 38.932 38.487 -0.024 0.000 1.005 127 N HN 0.427 nan 8.380 nan 0.000 0.507 128 E N 1.381 121.491 120.200 -0.151 0.000 2.376 128 E HA 0.091 4.440 4.350 -0.002 0.000 0.266 128 E C -0.299 176.170 176.600 -0.218 0.000 1.009 128 E CA -0.130 56.080 56.400 -0.316 0.000 0.902 128 E CB 0.810 30.133 29.700 -0.629 0.000 0.972 128 E HN 0.024 nan 8.360 nan 0.000 0.439 129 V N 1.086 120.945 119.914 -0.093 0.000 2.448 129 V HA 0.462 4.581 4.120 -0.002 0.000 0.295 129 V C -0.321 175.825 176.094 0.087 0.000 1.025 129 V CA -1.103 61.185 62.300 -0.020 0.000 0.859 129 V CB 1.201 33.024 31.823 -0.000 0.000 0.988 129 V HN 0.403 nan 8.190 nan 0.000 0.431 130 I N 4.531 125.125 120.570 0.039 0.000 2.395 130 I HA 0.370 4.540 4.170 -0.002 0.000 0.289 130 I C 1.088 177.201 176.117 -0.006 0.000 1.023 130 I CA 0.413 61.761 61.300 0.080 0.000 1.350 130 I CB 1.376 39.383 38.000 0.011 0.000 1.409 130 I HN 1.053 nan 8.210 nan 0.000 0.507 131 S N 5.128 120.805 115.700 -0.039 0.000 2.593 131 S HA 0.162 4.631 4.470 -0.002 0.000 0.269 131 S C 1.234 175.734 174.600 -0.167 0.000 1.334 131 S CA -0.277 57.846 58.200 -0.128 0.000 1.015 131 S CB 1.584 64.670 63.200 -0.190 0.000 0.912 131 S HN 0.577 nan 8.310 nan 0.000 0.541 132 V N 3.022 122.820 119.914 -0.194 0.000 2.626 132 V HA -0.117 4.002 4.120 -0.002 0.000 0.252 132 V C 2.012 177.837 176.094 -0.448 0.000 1.067 132 V CA 2.181 64.358 62.300 -0.205 0.000 1.081 132 V CB -0.956 30.841 31.823 -0.043 0.000 0.686 132 V HN 0.994 nan 8.190 nan 0.000 0.468 133 M N 0.857 119.964 119.600 -0.822 0.000 2.086 133 M HA -0.213 4.266 4.480 -0.002 0.000 0.261 133 M C 2.115 178.204 176.300 -0.351 0.000 1.067 133 M CA 2.736 57.455 55.300 -0.969 0.000 1.116 133 M CB -0.499 31.578 32.600 -0.872 0.000 1.348 133 M HN 0.654 nan 8.290 nan 0.000 0.407 134 N N -0.251 118.316 118.700 -0.220 0.000 2.069 134 N HA -0.194 4.545 4.740 -0.002 0.000 0.191 134 N C 1.654 177.120 175.510 -0.072 0.000 1.031 134 N CA 1.775 54.772 53.050 -0.090 0.000 0.852 134 N CB 0.001 38.463 38.487 -0.042 0.000 1.018 134 N HN 0.319 nan 8.380 nan 0.000 0.423 135 R N -0.165 120.278 120.500 -0.095 0.000 2.092 135 R HA -0.002 4.337 4.340 -0.002 0.000 0.231 135 R C 2.300 178.576 176.300 -0.040 0.000 1.119 135 R CA 1.127 57.191 56.100 -0.060 0.000 0.970 135 R CB -0.307 29.955 30.300 -0.064 0.000 0.864 135 R HN 0.281 nan 8.270 nan 0.000 0.440 136 A N 1.608 124.392 122.820 -0.060 0.000 1.902 136 A HA -0.237 4.083 4.320 -0.002 0.000 0.217 136 A C 2.056 179.656 177.584 0.027 0.000 1.181 136 A CA 1.696 53.736 52.037 0.006 0.000 0.623 136 A CB -0.312 18.717 19.000 0.049 0.000 0.818 136 A HN 0.089 nan 8.150 nan 0.000 0.443 137 K N 0.430 120.838 120.400 0.012 0.000 2.026 137 K HA -0.110 4.209 4.320 -0.002 0.000 0.208 137 K C 1.804 178.422 176.600 0.030 0.000 1.048 137 K CA 2.059 58.368 56.287 0.037 0.000 0.929 137 K CB -0.381 32.141 32.500 0.038 0.000 0.713 137 K HN 0.461 nan 8.250 nan 0.000 0.439 138 K N -0.326 120.081 120.400 0.013 0.000 2.152 138 K HA -0.070 4.249 4.320 -0.002 0.000 0.206 138 K C 1.653 178.260 176.600 0.013 0.000 1.048 138 K CA 1.269 57.562 56.287 0.010 0.000 0.933 138 K CB -0.179 32.321 32.500 -0.001 0.000 0.721 138 K HN 0.263 nan 8.250 nan 0.000 0.447 139 A N 0.049 122.878 122.820 0.015 0.000 2.259 139 A HA 0.231 4.550 4.320 -0.002 0.000 0.208 139 A C 1.318 178.918 177.584 0.027 0.000 1.201 139 A CA 0.727 52.774 52.037 0.017 0.000 0.824 139 A CB -0.303 18.706 19.000 0.015 0.000 0.838 139 A HN 0.414 nan 8.150 nan 0.000 0.485 140 G N -0.656 108.165 108.800 0.035 0.000 2.175 140 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.244 140 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.244 140 G C 0.266 175.202 174.900 0.060 0.000 0.982 140 G CA 0.359 45.484 45.100 0.043 0.000 0.641 140 G HN 0.560 nan 8.290 nan 0.000 0.527 141 K N 0.968 121.411 120.400 0.072 0.000 2.202 141 K HA 0.513 4.832 4.320 -0.002 0.000 0.264 141 K C 0.466 177.143 176.600 0.128 0.000 1.010 141 K CA -0.034 56.317 56.287 0.107 0.000 0.940 141 K CB 0.753 33.327 32.500 0.123 0.000 0.983 141 K HN 0.168 nan 8.250 nan 0.000 0.475 142 S N 0.857 116.655 115.700 0.163 0.000 2.584 142 S HA 0.281 4.750 4.470 -0.002 0.000 0.273 142 S C -0.323 174.411 174.600 0.224 0.000 1.311 142 S CA -0.987 57.301 58.200 0.147 0.000 1.034 142 S CB 1.038 64.302 63.200 0.107 0.000 0.939 142 S HN 0.446 nan 8.310 nan 0.000 0.513 143 V N -0.384 119.642 119.914 0.186 0.000 2.789 143 V HA 1.033 5.152 4.120 -0.002 0.000 0.311 143 V C -0.099 176.131 176.094 0.227 0.000 1.073 143 V CA -0.663 61.796 62.300 0.264 0.000 0.921 143 V CB 1.505 33.458 31.823 0.217 0.000 1.009 143 V HN 0.917 nan 8.190 nan 0.000 0.426 144 G N 2.073 111.049 108.800 0.294 0.000 2.638 144 G HA2 0.654 4.613 3.960 -0.002 0.000 0.302 144 G HA3 0.654 4.613 3.960 -0.002 0.000 0.302 144 G C -1.598 173.491 174.900 0.315 0.000 1.365 144 G CA -0.759 44.478 45.100 0.228 0.000 0.987 144 G HN 1.094 nan 8.290 nan 0.000 0.495 145 V N 1.771 121.852 119.914 0.279 0.000 2.444 145 V HA 0.613 4.732 4.120 -0.002 0.000 0.294 145 V C -0.501 175.793 176.094 0.334 0.000 1.022 145 V CA -0.613 61.912 62.300 0.375 0.000 0.850 145 V CB 1.566 33.554 31.823 0.274 0.000 0.992 145 V HN 0.595 nan 8.190 nan 0.000 0.426 146 V N 3.916 124.071 119.914 0.402 0.000 2.623 146 V HA 0.818 4.937 4.120 -0.002 0.000 0.304 146 V C -0.257 175.996 176.094 0.264 0.000 1.054 146 V CA -0.239 62.219 62.300 0.263 0.000 0.882 146 V CB 2.089 34.010 31.823 0.163 0.000 1.002 146 V HN 0.944 nan 8.190 nan 0.000 0.424 147 T N 1.292 115.989 114.554 0.238 0.000 2.840 147 T HA 0.344 4.693 4.350 -0.002 0.000 0.317 147 T C 0.754 175.537 174.700 0.137 0.000 1.401 147 T CA 0.395 62.611 62.100 0.192 0.000 1.028 147 T CB 2.015 71.064 68.868 0.301 0.000 1.317 147 T HN 0.849 nan 8.240 nan 0.000 0.495 148 T N -0.110 114.481 114.554 0.061 0.000 3.113 148 T HA 0.206 4.555 4.350 -0.002 0.000 0.256 148 T C 1.178 175.870 174.700 -0.013 0.000 1.131 148 T CA 0.799 62.911 62.100 0.019 0.000 1.074 148 T CB -0.619 68.223 68.868 -0.043 0.000 0.944 148 T HN 0.859 nan 8.240 nan 0.000 0.516 149 T N -0.078 114.469 114.554 -0.012 0.000 2.849 149 T HA 0.481 4.830 4.350 -0.002 0.000 0.276 149 T C 0.164 174.920 174.700 0.094 0.000 0.971 149 T CA -1.136 60.946 62.100 -0.032 0.000 0.949 149 T CB 0.698 69.460 68.868 -0.178 0.000 1.093 149 T HN 0.208 nan 8.240 nan 0.000 0.545 150 R N 0.560 121.130 120.500 0.116 0.000 2.566 150 R HA 0.139 4.478 4.340 -0.002 0.000 0.273 150 R C 1.727 178.181 176.300 0.256 0.000 0.981 150 R CA 0.354 56.576 56.100 0.204 0.000 1.091 150 R CB 0.170 30.622 30.300 0.253 0.000 0.924 150 R HN 0.635 nan 8.270 nan 0.000 0.411 151 V N 0.566 120.621 119.914 0.235 0.000 3.078 151 V HA -0.179 3.941 4.120 -0.002 0.000 0.265 151 V C 0.883 177.164 176.094 0.312 0.000 1.122 151 V CA 1.229 63.677 62.300 0.247 0.000 1.141 151 V CB -0.303 31.616 31.823 0.160 0.000 0.735 151 V HN 0.692 nan 8.190 nan 0.000 0.498 152 Q N -0.904 119.086 119.800 0.317 0.000 2.280 152 Q HA 0.287 4.626 4.340 -0.002 0.000 0.201 152 Q C 0.659 176.869 176.000 0.351 0.000 0.890 152 Q CA 0.009 56.008 55.803 0.326 0.000 0.947 152 Q CB -0.146 28.753 28.738 0.267 0.000 1.081 152 Q HN 0.840 nan 8.270 nan 0.000 0.502 153 H N -0.385 118.844 119.070 0.265 0.000 2.660 153 H HA 0.290 4.845 4.556 -0.001 0.000 0.374 153 H C 1.187 176.608 175.328 0.155 0.000 1.291 153 H CA 0.592 56.813 56.048 0.289 0.000 1.437 153 H CB 0.918 30.828 29.762 0.247 0.000 1.509 153 H HN 0.148 nan 8.280 nan 0.000 0.614 154 A N 1.360 124.161 122.820 -0.031 0.000 1.908 154 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 154 A C 2.347 179.935 177.584 0.006 0.000 1.181 154 A CA 2.040 54.039 52.037 -0.063 0.000 0.627 154 A CB -0.881 18.072 19.000 -0.079 0.000 0.818 154 A HN 0.682 nan 8.150 nan 0.000 0.445 155 S N 0.392 116.204 115.700 0.186 0.000 2.338 155 S HA -0.080 4.389 4.470 -0.002 0.000 0.218 155 S C -0.203 174.367 174.600 -0.049 0.000 1.032 155 S CA 1.410 59.754 58.200 0.240 0.000 0.999 155 S CB -1.358 62.146 63.200 0.507 0.000 0.905 155 S HN 0.594 nan 8.310 nan 0.000 0.439 156 P HA -0.035 nan 4.420 nan 0.000 0.218 156 P C 1.284 178.325 177.300 -0.432 0.000 1.148 156 P CA 1.520 64.386 63.100 -0.389 0.000 0.822 156 P CB -0.160 31.608 31.700 0.113 0.000 0.784 157 A N 0.633 123.205 122.820 -0.413 0.000 1.978 157 A HA -0.074 4.245 4.320 -0.002 0.000 0.220 157 A C 2.610 179.680 177.584 -0.856 0.000 1.170 157 A CA 1.914 53.421 52.037 -0.884 0.000 0.636 157 A CB -1.963 16.763 19.000 -0.456 0.000 0.810 157 A HN 0.305 nan 8.150 nan 0.000 0.448 158 G N -0.360 108.121 108.800 -0.532 0.000 2.479 158 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.220 158 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.220 158 G C 1.623 176.254 174.900 -0.449 0.000 1.115 158 G CA 1.897 46.726 45.100 -0.451 0.000 0.757 158 G HN 0.721 nan 8.290 nan 0.000 0.560 159 T N -2.151 112.113 114.554 -0.483 0.000 2.995 159 T HA -0.011 4.338 4.350 -0.002 0.000 0.269 159 T C 1.867 176.448 174.700 -0.199 0.000 1.091 159 T CA 1.412 63.330 62.100 -0.304 0.000 1.128 159 T CB -0.320 68.428 68.868 -0.200 0.000 0.891 159 T HN 0.729 nan 8.240 nan 0.000 0.492 160 Y N -0.474 119.673 120.300 -0.255 0.000 2.438 160 Y HA 0.802 5.351 4.550 -0.002 0.000 0.274 160 Y C 0.752 176.438 175.900 -0.357 0.000 1.085 160 Y CA -0.930 57.030 58.100 -0.233 0.000 1.199 160 Y CB 0.003 38.386 38.460 -0.129 0.000 1.317 160 Y HN 0.308 nan 8.280 nan 0.000 0.545 161 A N 1.167 123.583 122.820 -0.674 0.000 2.256 161 A HA 0.759 5.078 4.320 -0.002 0.000 0.318 161 A C -1.579 175.548 177.584 -0.761 0.000 1.103 161 A CA -0.557 51.176 52.037 -0.507 0.000 0.860 161 A CB 0.192 18.942 19.000 -0.416 0.000 1.182 161 A HN 0.558 nan 8.150 nan 0.000 0.501 162 H N -0.843 118.183 119.070 -0.073 0.000 3.108 162 H HA 0.593 5.148 4.556 -0.002 0.000 0.329 162 H C -0.698 174.601 175.328 -0.047 0.000 0.978 162 H CA 0.010 56.017 56.048 -0.069 0.000 1.413 162 H CB 1.886 31.624 29.762 -0.040 0.000 1.670 162 H HN 0.690 nan 8.280 nan 0.000 0.512 163 T N 1.355 115.909 114.554 -0.000 0.000 2.982 163 T HA 0.182 4.531 4.350 -0.002 0.000 0.321 163 T C 0.859 175.473 174.700 -0.143 0.000 1.229 163 T CA -0.584 61.492 62.100 -0.039 0.000 1.044 163 T CB 1.156 69.994 68.868 -0.051 0.000 1.184 163 T HN 0.402 nan 8.240 nan 0.000 0.477 164 V N 1.456 121.245 119.914 -0.208 0.000 3.380 164 V HA 0.389 4.508 4.120 -0.002 0.000 0.268 164 V C 0.658 176.427 176.094 -0.541 0.000 1.168 164 V CA 0.695 62.820 62.300 -0.292 0.000 1.156 164 V CB -0.767 30.903 31.823 -0.256 0.000 0.785 164 V HN 0.696 nan 8.190 nan 0.000 0.487 165 N N 1.015 119.213 118.700 -0.836 0.000 2.571 165 N HA 0.256 4.996 4.740 -0.002 0.000 0.286 165 N C 1.012 176.087 175.510 -0.725 0.000 1.138 165 N CA -0.352 52.091 53.050 -1.012 0.000 0.859 165 N CB 1.923 39.106 38.487 -2.173 0.000 1.414 165 N HN 0.457 nan 8.380 nan 0.000 0.529 166 R N 2.278 122.536 120.500 -0.404 0.000 2.200 166 R HA -0.010 4.329 4.340 -0.002 0.000 0.234 166 R C 0.161 176.098 176.300 -0.605 0.000 1.127 166 R CA 1.133 56.989 56.100 -0.406 0.000 0.989 166 R CB -0.159 29.951 30.300 -0.316 0.000 0.869 166 R HN 0.309 nan 8.270 nan 0.000 0.459 167 N N 0.072 118.445 118.700 -0.546 0.000 2.515 167 N HA -0.071 4.668 4.740 -0.002 0.000 0.185 167 N C -0.444 174.790 175.510 -0.460 0.000 1.109 167 N CA 0.507 53.215 53.050 -0.570 0.000 0.903 167 N CB 0.075 38.454 38.487 -0.180 0.000 0.969 167 N HN 0.313 nan 8.380 nan 0.000 0.450 168 W N 1.657 122.657 121.300 -0.501 0.000 1.395 168 W HA 0.191 4.849 4.660 -0.003 0.000 0.451 168 W C 0.518 176.823 176.519 -0.357 0.000 0.619 168 W CA -1.241 55.904 57.345 -0.335 0.000 2.212 168 W CB -1.385 27.946 29.460 -0.214 0.000 1.537 168 W HN 0.068 nan 8.180 nan 0.000 0.275 169 Y N 0.494 120.742 120.300 -0.086 0.000 2.163 169 Y HA -0.167 4.383 4.550 -0.001 0.000 0.288 169 Y C 1.900 177.596 175.900 -0.340 0.000 1.136 169 Y CA 1.470 59.306 58.100 -0.439 0.000 1.147 169 Y CB -0.614 37.157 38.460 -1.148 0.000 0.987 169 Y HN 0.021 nan 8.280 nan 0.000 0.509 170 S N -0.943 114.751 115.700 -0.009 0.000 2.709 170 S HA 0.188 4.657 4.470 -0.002 0.000 0.302 170 S C 0.650 175.261 174.600 0.017 0.000 1.127 170 S CA -0.302 57.941 58.200 0.072 0.000 0.905 170 S CB 1.640 64.977 63.200 0.227 0.000 1.151 170 S HN 0.338 nan 8.310 nan 0.000 0.510 171 D N 0.917 121.315 120.400 -0.003 0.000 2.221 171 D HA -0.150 4.489 4.640 -0.002 0.000 0.204 171 D C 1.858 178.113 176.300 -0.073 0.000 0.982 171 D CA 1.479 55.439 54.000 -0.068 0.000 0.857 171 D CB -0.891 39.878 40.800 -0.051 0.000 0.934 171 D HN 0.666 nan 8.370 nan 0.000 0.475 172 A N 1.077 123.896 122.820 -0.001 0.000 2.024 172 A HA -0.188 4.131 4.320 -0.002 0.000 0.220 172 A C 1.768 179.350 177.584 -0.004 0.000 1.164 172 A CA 1.715 53.761 52.037 0.014 0.000 0.643 172 A CB -0.253 18.793 19.000 0.077 0.000 0.806 172 A HN 0.157 nan 8.150 nan 0.000 0.451 173 D N -0.827 119.565 120.400 -0.014 0.000 2.346 173 D HA 0.116 4.755 4.640 -0.002 0.000 0.206 173 D C 0.116 176.277 176.300 -0.231 0.000 1.001 173 D CA 0.304 54.302 54.000 -0.003 0.000 0.871 173 D CB 0.228 41.098 40.800 0.117 0.000 0.943 173 D HN 0.197 nan 8.370 nan 0.000 0.518 174 V N 3.391 123.024 119.914 -0.468 0.000 2.461 174 V HA 0.179 4.298 4.120 -0.002 0.000 0.275 174 V C -2.044 173.729 176.094 -0.536 0.000 1.047 174 V CA -1.550 60.180 62.300 -0.950 0.000 0.955 174 V CB 1.197 32.479 31.823 -0.902 0.000 0.988 174 V HN -0.111 nan 8.190 nan 0.000 0.471 175 P HA 0.108 nan 4.420 nan 0.000 0.267 175 P C 0.724 177.883 177.300 -0.234 0.000 1.200 175 P CA 0.051 63.010 63.100 -0.235 0.000 0.772 175 P CB 0.711 32.330 31.700 -0.136 0.000 0.855 176 A N 2.631 125.363 122.820 -0.146 0.000 1.917 176 A HA -0.240 4.079 4.320 -0.002 0.000 0.219 176 A C 2.205 179.720 177.584 -0.116 0.000 1.182 176 A CA 2.559 54.524 52.037 -0.120 0.000 0.633 176 A CB -1.795 17.158 19.000 -0.078 0.000 0.819 176 A HN 0.644 nan 8.150 nan 0.000 0.448 177 S N 0.075 115.716 115.700 -0.099 0.000 2.368 177 S HA 0.023 4.492 4.470 -0.002 0.000 0.225 177 S C 2.081 176.624 174.600 -0.095 0.000 1.030 177 S CA 1.420 59.574 58.200 -0.076 0.000 0.999 177 S CB -0.718 62.453 63.200 -0.048 0.000 0.844 177 S HN 0.965 nan 8.310 nan 0.000 0.459 178 A N 2.281 125.008 122.820 -0.154 0.000 1.929 178 A HA 0.071 4.390 4.320 -0.002 0.000 0.216 178 A C 2.403 179.856 177.584 -0.219 0.000 1.176 178 A CA 0.940 52.858 52.037 -0.197 0.000 0.628 178 A CB -0.516 18.240 19.000 -0.407 0.000 0.816 178 A HN 0.529 nan 8.150 nan 0.000 0.444 179 R N -0.869 119.482 120.500 -0.248 0.000 2.081 179 R HA -0.160 4.179 4.340 -0.002 0.000 0.235 179 R C 2.357 178.588 176.300 -0.114 0.000 1.131 179 R CA 1.709 57.695 56.100 -0.189 0.000 0.960 179 R CB -0.329 29.864 30.300 -0.180 0.000 0.856 179 R HN 0.513 nan 8.270 nan 0.000 0.436 180 Q N 0.728 120.469 119.800 -0.097 0.000 2.124 180 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 180 Q C 1.323 177.292 176.000 -0.052 0.000 0.977 180 Q CA 1.469 57.233 55.803 -0.065 0.000 0.850 180 Q CB 0.068 28.773 28.738 -0.056 0.000 0.901 180 Q HN 0.379 nan 8.270 nan 0.000 0.429 181 E N -1.308 118.860 120.200 -0.054 0.000 2.511 181 E HA 0.098 4.448 4.350 -0.002 0.000 0.196 181 E C 0.478 177.062 176.600 -0.027 0.000 1.066 181 E CA 0.333 56.714 56.400 -0.033 0.000 0.871 181 E CB 0.118 29.805 29.700 -0.022 0.000 0.863 181 E HN 0.475 nan 8.360 nan 0.000 0.520 182 G N 0.873 109.649 108.800 -0.041 0.000 2.136 182 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.242 182 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.242 182 G C 0.215 175.107 174.900 -0.012 0.000 0.989 182 G CA -0.125 44.959 45.100 -0.028 0.000 0.682 182 G HN 0.327 nan 8.290 nan 0.000 0.522 183 c N 1.996 120.585 118.600 -0.019 0.000 2.540 183 c HA 0.448 5.017 4.570 -0.002 0.000 0.377 183 c C 1.022 175.104 174.090 -0.014 0.000 1.274 183 c CA -0.334 56.016 56.329 0.034 0.000 1.718 183 c CB -0.337 42.247 42.510 0.124 0.000 2.391 183 c HN 0.560 nan 8.230 nan 0.000 0.565 184 Q N 3.107 122.929 119.800 0.037 0.000 2.288 184 Q HA 0.205 4.544 4.340 -0.002 0.000 0.254 184 Q C 0.317 176.349 176.000 0.054 0.000 0.932 184 Q CA -0.140 55.675 55.803 0.019 0.000 0.902 184 Q CB 1.071 29.832 28.738 0.038 0.000 1.203 184 Q HN 0.725 nan 8.270 nan 0.000 0.415 185 D N 1.859 122.265 120.400 0.009 0.000 2.378 185 D HA -0.065 4.574 4.640 -0.002 0.000 0.238 185 D C 0.747 177.090 176.300 0.073 0.000 1.180 185 D CA 0.022 54.049 54.000 0.045 0.000 0.895 185 D CB 1.153 41.952 40.800 -0.002 0.000 1.192 185 D HN 0.510 nan 8.370 nan 0.000 0.438 186 I N 0.998 121.615 120.570 0.077 0.000 2.286 186 I HA -0.274 3.895 4.170 -0.002 0.000 0.248 186 I C 2.689 178.894 176.117 0.148 0.000 1.115 186 I CA 1.486 62.853 61.300 0.112 0.000 1.392 186 I CB -0.328 37.712 38.000 0.067 0.000 1.065 186 I HN 0.563 nan 8.210 nan 0.000 0.418 187 A N 0.452 123.323 122.820 0.086 0.000 1.902 187 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 187 A C 2.396 179.987 177.584 0.012 0.000 1.181 187 A CA 2.463 54.535 52.037 0.058 0.000 0.623 187 A CB -1.089 17.955 19.000 0.073 0.000 0.818 187 A HN 0.375 nan 8.150 nan 0.000 0.443 188 T N 0.203 114.771 114.554 0.022 0.000 2.708 188 T HA -0.189 4.160 4.350 -0.002 0.000 0.266 188 T C 2.046 176.765 174.700 0.031 0.000 1.037 188 T CA 1.701 63.809 62.100 0.013 0.000 1.146 188 T CB -0.321 68.555 68.868 0.014 0.000 0.865 188 T HN 0.609 nan 8.240 nan 0.000 0.435 189 Q N 0.261 120.107 119.800 0.076 0.000 2.135 189 Q HA -0.088 4.251 4.340 -0.002 0.000 0.204 189 Q C 2.392 178.430 176.000 0.064 0.000 0.981 189 Q CA 1.020 56.896 55.803 0.123 0.000 0.856 189 Q CB -0.461 28.391 28.738 0.190 0.000 0.902 189 Q HN 0.358 nan 8.270 nan 0.000 0.425 190 L N 1.309 122.497 121.223 -0.057 0.000 2.043 190 L HA -0.185 4.154 4.340 -0.002 0.000 0.212 190 L C 2.055 178.737 176.870 -0.314 0.000 1.075 190 L CA 1.751 56.261 54.840 -0.550 0.000 0.752 190 L CB -0.319 41.489 42.059 -0.419 0.000 0.891 190 L HN 0.365 nan 8.230 nan 0.000 0.432 191 I N -5.036 115.474 120.570 -0.098 0.000 3.603 191 I HA 0.133 4.302 4.170 -0.002 0.000 0.297 191 I C 1.544 177.726 176.117 0.109 0.000 1.269 191 I CA 0.803 62.162 61.300 0.099 0.000 1.361 191 I CB -0.015 38.071 38.000 0.144 0.000 1.063 191 I HN 0.056 nan 8.210 nan 0.000 0.448 192 S N 0.673 116.402 115.700 0.048 0.000 2.599 192 S HA 0.151 4.620 4.470 -0.002 0.000 0.236 192 S C 1.559 176.191 174.600 0.053 0.000 1.077 192 S CA 0.142 58.370 58.200 0.048 0.000 0.906 192 S CB -0.274 62.949 63.200 0.039 0.000 0.804 192 S HN 0.480 nan 8.310 nan 0.000 0.497 193 N N 1.445 120.185 118.700 0.066 0.000 2.106 193 N HA 0.022 4.762 4.740 -0.002 0.000 0.188 193 N C 0.565 176.122 175.510 0.078 0.000 1.029 193 N CA 1.126 54.231 53.050 0.091 0.000 0.848 193 N CB -0.006 38.562 38.487 0.135 0.000 1.007 193 N HN 0.473 nan 8.380 nan 0.000 0.423 194 M N -1.434 118.207 119.600 0.068 0.000 2.644 194 M HA 0.343 4.822 4.480 -0.002 0.000 0.273 194 M C -2.012 174.338 176.300 0.083 0.000 1.253 194 M CA -0.945 54.395 55.300 0.067 0.000 0.852 194 M CB 2.079 34.720 32.600 0.068 0.000 1.708 194 M HN -0.329 nan 8.290 nan 0.000 0.471 195 D N 1.490 121.945 120.400 0.092 0.000 2.348 195 D HA 0.541 5.180 4.640 -0.002 0.000 0.253 195 D C -1.350 175.064 176.300 0.189 0.000 1.161 195 D CA 0.205 54.292 54.000 0.145 0.000 0.876 195 D CB 0.514 41.393 40.800 0.133 0.000 1.160 195 D HN 0.585 nan 8.370 nan 0.000 0.459 196 I N 3.324 124.065 120.570 0.285 0.000 2.447 196 I HA 0.188 4.357 4.170 -0.002 0.000 0.287 196 I C 0.274 176.598 176.117 0.345 0.000 1.023 196 I CA -0.621 60.828 61.300 0.248 0.000 1.083 196 I CB 2.052 40.146 38.000 0.156 0.000 1.245 196 I HN 0.349 nan 8.210 nan 0.000 0.434 197 D N 3.597 124.088 120.400 0.151 0.000 2.162 197 D HA 0.009 4.648 4.640 -0.002 0.000 0.203 197 D C 0.018 176.376 176.300 0.096 0.000 0.967 197 D CA 1.300 55.258 54.000 -0.071 0.000 0.840 197 D CB 0.379 41.086 40.800 -0.155 0.000 0.972 197 D HN 0.143 nan 8.370 nan 0.000 0.482 198 V N 1.155 121.149 119.914 0.134 0.000 2.623 198 V HA 0.393 4.512 4.120 -0.002 0.000 0.304 198 V C -0.845 175.317 176.094 0.115 0.000 1.054 198 V CA -0.679 61.696 62.300 0.126 0.000 0.882 198 V CB 2.308 34.180 31.823 0.081 0.000 1.002 198 V HN -0.018 nan 8.190 nan 0.000 0.424 199 I N 6.167 126.774 120.570 0.060 0.000 2.476 199 I HA 0.511 4.680 4.170 -0.002 0.000 0.281 199 I C -1.022 175.116 176.117 0.035 0.000 1.040 199 I CA -0.167 61.139 61.300 0.011 0.000 1.094 199 I CB 1.556 39.456 38.000 -0.166 0.000 1.219 199 I HN 0.339 nan 8.210 nan 0.000 0.450 200 L N 6.164 127.465 121.223 0.131 0.000 2.409 200 L HA 0.940 5.279 4.340 -0.002 0.000 0.272 200 L C 0.276 177.302 176.870 0.259 0.000 0.980 200 L CA -0.333 54.641 54.840 0.223 0.000 0.826 200 L CB 1.910 44.144 42.059 0.291 0.000 1.268 200 L HN 0.798 nan 8.230 nan 0.000 0.407 201 G N 1.649 110.624 108.800 0.291 0.000 2.404 201 G HA2 0.386 4.345 3.960 -0.002 0.000 0.253 201 G HA3 0.386 4.345 3.960 -0.002 0.000 0.253 201 G C -0.813 174.238 174.900 0.251 0.000 1.253 201 G CA -0.035 45.242 45.100 0.294 0.000 0.917 201 G HN 0.772 nan 8.290 nan 0.000 0.480 202 G N -1.962 106.954 108.800 0.193 0.000 2.532 202 G HA2 0.631 4.590 3.960 -0.002 0.000 0.291 202 G HA3 0.631 4.590 3.960 -0.002 0.000 0.291 202 G C 1.010 175.991 174.900 0.134 0.000 1.349 202 G CA 0.647 45.841 45.100 0.156 0.000 1.038 202 G HN 2.366 nan 8.290 nan 0.000 0.518 203 G N -1.484 107.379 108.800 0.106 0.000 2.145 203 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.176 203 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.176 203 G C 1.111 176.052 174.900 0.068 0.000 1.013 203 G CA 0.608 45.779 45.100 0.119 0.000 0.689 203 G HN 0.646 nan 8.290 nan 0.000 0.506 204 R N 0.645 121.187 120.500 0.071 0.000 2.113 204 R HA -0.181 4.158 4.340 -0.002 0.000 0.244 204 R C 2.836 179.221 176.300 0.141 0.000 1.142 204 R CA 2.151 58.353 56.100 0.171 0.000 0.953 204 R CB -0.312 30.116 30.300 0.214 0.000 0.860 204 R HN 0.702 nan 8.270 nan 0.000 0.438 205 K N -0.456 119.893 120.400 -0.086 0.000 2.147 205 K HA -0.179 4.140 4.320 -0.002 0.000 0.205 205 K C 1.486 178.034 176.600 -0.086 0.000 1.049 205 K CA 1.732 57.944 56.287 -0.125 0.000 0.936 205 K CB -0.423 31.880 32.500 -0.328 0.000 0.722 205 K HN 0.331 nan 8.250 nan 0.000 0.446 206 Y N 0.588 120.929 120.300 0.069 0.000 2.616 206 Y HA 0.083 4.632 4.550 -0.001 0.000 0.296 206 Y C 1.904 177.775 175.900 -0.049 0.000 1.154 206 Y CA -0.117 58.005 58.100 0.038 0.000 1.325 206 Y CB 0.050 38.549 38.460 0.065 0.000 1.007 206 Y HN 0.030 nan 8.280 nan 0.000 0.542 207 M N -1.050 118.516 119.600 -0.056 0.000 2.441 207 M HA 0.167 4.646 4.480 -0.002 0.000 0.244 207 M C -0.846 175.073 176.300 -0.636 0.000 1.122 207 M CA 0.520 55.568 55.300 -0.421 0.000 1.041 207 M CB -0.503 31.640 32.600 -0.762 0.000 1.438 207 M HN 0.001 nan 8.290 nan 0.000 0.484 208 F N 0.772 120.710 119.950 -0.020 0.000 2.577 208 F HA 0.478 5.004 4.527 -0.002 0.000 0.318 208 F C 0.701 176.487 175.800 -0.023 0.000 1.065 208 F CA -1.536 56.441 58.000 -0.039 0.000 0.929 208 F CB 1.009 39.972 39.000 -0.062 0.000 1.237 208 F HN -0.016 nan 8.300 nan 0.000 0.468 209 R N 1.672 122.274 120.500 0.170 0.000 2.641 209 R HA 0.408 4.747 4.340 -0.002 0.000 0.269 209 R C 0.010 176.345 176.300 0.059 0.000 1.074 209 R CA -0.719 55.430 56.100 0.082 0.000 1.133 209 R CB 0.620 30.950 30.300 0.049 0.000 1.029 209 R HN 0.847 nan 8.270 nan 0.000 0.488 210 M N 1.835 121.453 119.600 0.030 0.000 2.251 210 M HA 0.054 4.533 4.480 -0.002 0.000 0.343 210 M C 0.738 177.018 176.300 -0.032 0.000 1.245 210 M CA 2.352 57.653 55.300 0.001 0.000 1.061 210 M CB 0.325 32.925 32.600 -0.000 0.000 1.723 210 M HN 1.053 nan 8.290 nan 0.000 0.449 211 G N 2.453 111.208 108.800 -0.074 0.000 2.279 211 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.223 211 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.223 211 G C 0.162 174.987 174.900 -0.125 0.000 1.015 211 G CA 0.158 45.186 45.100 -0.121 0.000 0.621 211 G HN 0.741 nan 8.290 nan 0.000 0.506 212 T N 4.561 119.063 114.554 -0.086 0.000 2.751 212 T HA 0.471 4.820 4.350 -0.002 0.000 0.290 212 T C -2.185 172.418 174.700 -0.163 0.000 0.919 212 T CA -0.178 61.847 62.100 -0.124 0.000 1.136 212 T CB 1.386 70.191 68.868 -0.104 0.000 0.875 212 T HN 0.212 nan 8.240 nan 0.000 0.532 213 P HA 0.142 nan 4.420 nan 0.000 0.267 213 P C -0.147 177.018 177.300 -0.225 0.000 1.205 213 P CA -0.420 62.591 63.100 -0.148 0.000 0.765 213 P CB 0.383 32.011 31.700 -0.120 0.000 0.828 214 D N 4.617 124.916 120.400 -0.167 0.000 2.455 214 D HA -0.006 4.633 4.640 -0.002 0.000 0.241 214 D C -1.000 175.092 176.300 -0.348 0.000 1.138 214 D CA -1.300 52.564 54.000 -0.227 0.000 0.877 214 D CB 0.570 41.343 40.800 -0.044 0.000 1.187 214 D HN 0.249 nan 8.370 nan 0.000 0.451 215 P HA -0.131 nan 4.420 nan 0.000 0.221 215 P C 0.771 177.545 177.300 -0.877 0.000 1.150 215 P CA 1.022 63.614 63.100 -0.847 0.000 0.800 215 P CB 0.266 31.049 31.700 -1.529 0.000 0.787 216 E N -1.183 118.518 120.200 -0.831 0.000 2.307 216 E HA -0.038 4.311 4.350 -0.002 0.000 0.195 216 E C 0.064 176.210 176.600 -0.756 0.000 0.975 216 E CA 0.240 56.215 56.400 -0.709 0.000 0.878 216 E CB 0.223 29.547 29.700 -0.627 0.000 0.845 216 E HN 0.220 nan 8.360 nan 0.000 0.488 217 Y N 0.112 120.333 120.300 -0.132 0.000 2.480 217 Y HA 0.294 4.843 4.550 -0.001 0.000 0.356 217 Y C -2.000 173.860 175.900 -0.066 0.000 0.922 217 Y CA -2.099 55.960 58.100 -0.068 0.000 1.146 217 Y CB 1.026 39.459 38.460 -0.045 0.000 1.185 217 Y HN 0.102 nan 8.280 nan 0.000 0.624 218 P HA -0.144 nan 4.420 nan 0.000 0.228 218 P C 0.193 177.544 177.300 0.085 0.000 1.151 218 P CA 1.467 64.567 63.100 -0.001 0.000 0.770 218 P CB 0.264 31.935 31.700 -0.049 0.000 0.786 219 D N -2.045 118.404 120.400 0.082 0.000 2.395 219 D HA 0.065 4.704 4.640 -0.002 0.000 0.213 219 D C -0.106 176.188 176.300 -0.009 0.000 1.110 219 D CA -0.223 53.808 54.000 0.051 0.000 0.835 219 D CB -0.411 40.397 40.800 0.014 0.000 0.965 219 D HN -0.042 nan 8.370 nan 0.000 0.505 220 D N 0.000 120.440 120.400 0.066 0.000 2.462 220 D HA 0.066 4.706 4.640 -0.002 0.000 0.245 220 D C 0.060 176.438 176.300 0.130 0.000 1.122 220 D CA -0.764 53.243 54.000 0.011 0.000 0.864 220 D CB 0.443 41.241 40.800 -0.003 0.000 1.098 220 D HN -0.164 nan 8.370 nan 0.000 0.541 221 Y N 1.594 121.882 120.300 -0.020 0.000 2.352 221 Y HA -0.129 4.420 4.550 -0.002 0.000 0.292 221 Y C 2.553 178.436 175.900 -0.029 0.000 1.136 221 Y CA 1.013 59.099 58.100 -0.023 0.000 1.227 221 Y CB -1.000 37.450 38.460 -0.018 0.000 0.991 221 Y HN 0.457 nan 8.280 nan 0.000 0.545 222 S N -0.488 115.282 115.700 0.116 0.000 2.469 222 S HA -0.159 4.310 4.470 -0.002 0.000 0.238 222 S C 1.436 176.034 174.600 -0.002 0.000 0.998 222 S CA 0.926 59.150 58.200 0.041 0.000 0.957 222 S CB -0.212 62.990 63.200 0.003 0.000 0.764 222 S HN 0.372 nan 8.310 nan 0.000 0.514 223 Q N 1.120 120.918 119.800 -0.003 0.000 2.392 223 Q HA 0.340 4.679 4.340 -0.002 0.000 0.203 223 Q C 1.206 177.197 176.000 -0.016 0.000 0.917 223 Q CA 0.520 56.303 55.803 -0.033 0.000 0.939 223 Q CB -0.430 28.288 28.738 -0.032 0.000 1.063 223 Q HN 0.638 nan 8.270 nan 0.000 0.516 224 G N 0.116 108.918 108.800 0.003 0.000 2.611 224 G HA2 0.371 4.330 3.960 -0.002 0.000 0.273 224 G HA3 0.371 4.330 3.960 -0.002 0.000 0.273 224 G C 0.201 175.091 174.900 -0.016 0.000 1.305 224 G CA -0.053 45.033 45.100 -0.023 0.000 1.010 224 G HN 0.210 nan 8.290 nan 0.000 0.509 225 G N -1.897 106.907 108.800 0.005 0.000 2.559 225 G HA2 0.364 4.323 3.960 -0.002 0.000 0.235 225 G HA3 0.364 4.323 3.960 -0.002 0.000 0.235 225 G C 1.028 175.957 174.900 0.049 0.000 1.266 225 G CA 0.688 45.834 45.100 0.076 0.000 0.847 225 G HN 1.048 nan 8.290 nan 0.000 0.583 226 T N -1.481 113.119 114.554 0.077 0.000 2.985 226 T HA 0.219 4.568 4.350 -0.002 0.000 0.254 226 T C 0.998 175.754 174.700 0.093 0.000 1.021 226 T CA -0.343 61.813 62.100 0.092 0.000 0.957 226 T CB 0.222 69.189 68.868 0.164 0.000 1.047 226 T HN 0.443 nan 8.240 nan 0.000 0.511 227 R N 0.661 121.212 120.500 0.085 0.000 2.594 227 R HA 0.416 4.756 4.340 -0.002 0.000 0.272 227 R C 0.028 176.347 176.300 0.033 0.000 1.074 227 R CA -0.456 55.680 56.100 0.060 0.000 1.105 227 R CB 0.664 30.992 30.300 0.046 0.000 1.008 227 R HN 0.104 nan 8.270 nan 0.000 0.472 228 L N 1.675 122.908 121.223 0.016 0.000 2.664 228 L HA 0.038 4.377 4.340 -0.002 0.000 0.233 228 L C 1.006 177.872 176.870 -0.007 0.000 1.113 228 L CA 0.849 55.690 54.840 0.002 0.000 0.896 228 L CB -0.175 41.880 42.059 -0.006 0.000 1.163 228 L HN 0.645 nan 8.230 nan 0.000 0.497 229 D N -1.405 118.991 120.400 -0.008 0.000 2.349 229 D HA 0.176 4.815 4.640 -0.002 0.000 0.214 229 D C 1.598 177.893 176.300 -0.009 0.000 1.063 229 D CA 0.622 54.614 54.000 -0.014 0.000 0.847 229 D CB 0.139 40.926 40.800 -0.021 0.000 0.933 229 D HN 0.166 nan 8.370 nan 0.000 0.513 230 G N 0.420 109.219 108.800 -0.001 0.000 2.184 230 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.264 230 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.264 230 G C 0.180 175.084 174.900 0.005 0.000 0.975 230 G CA 0.268 45.370 45.100 0.003 0.000 0.642 230 G HN 0.463 nan 8.290 nan 0.000 0.536 231 K N 0.620 121.018 120.400 -0.003 0.000 2.298 231 K HA 0.297 4.616 4.320 -0.002 0.000 0.280 231 K C -0.154 176.432 176.600 -0.024 0.000 1.032 231 K CA -0.488 55.789 56.287 -0.015 0.000 0.958 231 K CB 0.580 33.063 32.500 -0.028 0.000 0.978 231 K HN 0.136 nan 8.250 nan 0.000 0.472 232 N N 4.177 122.860 118.700 -0.029 0.000 2.527 232 N HA 0.099 4.838 4.740 -0.002 0.000 0.236 232 N C 0.450 175.864 175.510 -0.159 0.000 0.999 232 N CA -0.104 52.899 53.050 -0.077 0.000 0.935 232 N CB 0.538 39.051 38.487 0.042 0.000 1.132 232 N HN 0.551 nan 8.380 nan 0.000 0.511 233 L N 2.454 123.514 121.223 -0.272 0.000 2.217 233 L HA -0.063 4.276 4.340 -0.002 0.000 0.211 233 L C 1.942 178.690 176.870 -0.203 0.000 1.107 233 L CA 0.532 55.251 54.840 -0.202 0.000 0.783 233 L CB -0.016 41.922 42.059 -0.202 0.000 0.919 233 L HN 0.326 nan 8.230 nan 0.000 0.442 234 V N -0.282 119.384 119.914 -0.414 0.000 2.295 234 V HA -0.329 3.790 4.120 -0.002 0.000 0.246 234 V C 2.476 178.533 176.094 -0.062 0.000 1.049 234 V CA 1.876 63.969 62.300 -0.345 0.000 1.024 234 V CB -0.451 30.934 31.823 -0.730 0.000 0.648 234 V HN 0.499 nan 8.190 nan 0.000 0.447 235 Q N -0.308 119.455 119.800 -0.062 0.000 2.084 235 Q HA -0.249 4.090 4.340 -0.002 0.000 0.202 235 Q C 2.286 178.302 176.000 0.027 0.000 0.978 235 Q CA 1.984 57.798 55.803 0.018 0.000 0.844 235 Q CB -0.065 28.689 28.738 0.026 0.000 0.898 235 Q HN 0.708 nan 8.270 nan 0.000 0.426 236 E N -0.681 119.527 120.200 0.013 0.000 2.077 236 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 236 E C 1.497 178.127 176.600 0.050 0.000 0.989 236 E CA 1.126 57.537 56.400 0.017 0.000 0.800 236 E CB -0.244 29.460 29.700 0.006 0.000 0.746 236 E HN 0.479 nan 8.360 nan 0.000 0.452 237 W N 1.522 122.761 121.300 -0.102 0.000 2.355 237 W HA -0.142 4.517 4.660 -0.002 0.000 0.309 237 W C 1.846 178.322 176.519 -0.073 0.000 1.206 237 W CA 1.264 58.554 57.345 -0.090 0.000 1.284 237 W CB -0.315 29.086 29.460 -0.097 0.000 1.145 237 W HN -0.053 nan 8.180 nan 0.000 0.502 238 L N 0.528 121.830 121.223 0.131 0.000 2.042 238 L HA -0.250 4.089 4.340 -0.002 0.000 0.210 238 L C 2.658 179.440 176.870 -0.146 0.000 1.076 238 L CA 1.581 56.404 54.840 -0.029 0.000 0.749 238 L CB -1.385 40.746 42.059 0.120 0.000 0.893 238 L HN 0.116 nan 8.230 nan 0.000 0.432 239 A N 0.618 123.386 122.820 -0.087 0.000 2.019 239 A HA -0.179 4.140 4.320 -0.002 0.000 0.219 239 A C 2.014 179.510 177.584 -0.146 0.000 1.164 239 A CA 1.584 53.567 52.037 -0.090 0.000 0.644 239 A CB -0.375 18.595 19.000 -0.049 0.000 0.805 239 A HN 0.550 nan 8.150 nan 0.000 0.449 240 K N -0.657 119.613 120.400 -0.216 0.000 2.446 240 K HA 0.269 4.588 4.320 -0.002 0.000 0.203 240 K C -0.389 175.992 176.600 -0.364 0.000 1.027 240 K CA -0.252 55.890 56.287 -0.241 0.000 1.166 240 K CB 0.231 32.612 32.500 -0.198 0.000 0.869 240 K HN 0.297 nan 8.250 nan 0.000 0.504 241 R N 1.195 121.436 120.500 -0.433 0.000 2.510 241 R HA 0.165 4.504 4.340 -0.002 0.000 0.287 241 R C -1.321 174.770 176.300 -0.347 0.000 1.084 241 R CA -0.510 55.262 56.100 -0.547 0.000 0.934 241 R CB 2.013 31.706 30.300 -1.012 0.000 1.201 241 R HN 0.127 nan 8.270 nan 0.000 0.431 242 Q N 0.681 120.344 119.800 -0.229 0.000 2.259 242 Q HA 0.324 4.664 4.340 -0.002 0.000 0.249 242 Q C 0.626 176.589 176.000 -0.061 0.000 0.914 242 Q CA 0.999 56.732 55.803 -0.116 0.000 0.904 242 Q CB 1.358 30.053 28.738 -0.071 0.000 1.213 242 Q HN 0.908 nan 8.270 nan 0.000 0.428 243 G N 1.877 110.668 108.800 -0.016 0.000 2.157 243 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.248 243 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.248 243 G C 0.022 174.963 174.900 0.068 0.000 0.979 243 G CA 0.060 45.185 45.100 0.041 0.000 0.650 243 G HN 0.850 nan 8.290 nan 0.000 0.529 244 A N -0.165 122.655 122.820 -0.000 0.000 2.363 244 A HA 0.827 5.146 4.320 -0.002 0.000 0.270 244 A C 0.473 178.152 177.584 0.159 0.000 1.121 244 A CA 0.586 52.635 52.037 0.021 0.000 0.800 244 A CB 0.572 19.405 19.000 -0.279 0.000 1.052 244 A HN 0.835 nan 8.150 nan 0.000 0.493 245 R N 1.019 121.702 120.500 0.304 0.000 2.673 245 R HA 0.501 4.840 4.340 -0.002 0.000 0.281 245 R C -2.076 174.471 176.300 0.412 0.000 0.991 245 R CA -0.557 55.720 56.100 0.295 0.000 0.896 245 R CB 1.441 31.851 30.300 0.183 0.000 1.201 245 R HN 0.780 nan 8.270 nan 0.000 0.457 246 Y N 4.796 125.227 120.300 0.217 0.000 2.364 246 Y HA 0.564 5.114 4.550 -0.001 0.000 0.340 246 Y C -1.198 174.770 175.900 0.114 0.000 0.975 246 Y CA -0.597 57.602 58.100 0.164 0.000 1.089 246 Y CB 1.513 40.092 38.460 0.198 0.000 1.192 246 Y HN 0.379 nan 8.280 nan 0.000 0.454 247 V N 4.237 123.800 119.914 -0.585 0.000 2.962 247 V HA 0.524 4.643 4.120 -0.002 0.000 0.313 247 V C -0.790 174.832 176.094 -0.787 0.000 1.099 247 V CA -0.767 61.195 62.300 -0.564 0.000 0.971 247 V CB 2.079 33.758 31.823 -0.241 0.000 1.028 247 V HN 1.053 nan 8.190 nan 0.000 0.430 248 W N 2.775 123.756 121.300 -0.531 0.000 2.534 248 W HA 0.439 5.098 4.660 -0.001 0.000 0.339 248 W C -0.317 176.221 176.519 0.031 0.000 0.961 248 W CA 0.244 57.353 57.345 -0.394 0.000 1.545 248 W CB -0.520 28.785 29.460 -0.258 0.000 1.104 248 W HN 0.880 nan 8.180 nan 0.000 0.538 249 N N -0.138 118.439 118.700 -0.205 0.000 2.647 249 N HA 0.277 5.016 4.740 -0.002 0.000 0.266 249 N C 0.444 175.954 175.510 0.001 0.000 1.373 249 N CA -0.808 52.195 53.050 -0.079 0.000 0.807 249 N CB 1.311 39.456 38.487 -0.571 0.000 1.513 249 N HN -0.172 nan 8.380 nan 0.000 0.505 250 R N -0.773 119.668 120.500 -0.099 0.000 2.081 250 R HA -0.114 4.225 4.340 -0.002 0.000 0.235 250 R C 1.065 177.295 176.300 -0.117 0.000 1.131 250 R CA 2.527 58.531 56.100 -0.159 0.000 0.960 250 R CB -0.695 29.503 30.300 -0.171 0.000 0.856 250 R HN 0.860 nan 8.270 nan 0.000 0.436 251 T N -0.731 113.744 114.554 -0.132 0.000 2.821 251 T HA -0.057 4.292 4.350 -0.002 0.000 0.267 251 T C 1.560 176.195 174.700 -0.108 0.000 1.046 251 T CA 0.925 62.957 62.100 -0.114 0.000 1.139 251 T CB -0.185 68.612 68.868 -0.118 0.000 0.871 251 T HN 0.202 nan 8.240 nan 0.000 0.454 252 E N 1.026 121.135 120.200 -0.151 0.000 2.106 252 E HA 0.018 4.367 4.350 -0.002 0.000 0.192 252 E C 2.162 178.730 176.600 -0.053 0.000 0.984 252 E CA 0.510 56.831 56.400 -0.131 0.000 0.806 252 E CB -0.506 29.052 29.700 -0.237 0.000 0.750 252 E HN 0.408 nan 8.360 nan 0.000 0.458 253 L N 0.735 121.957 121.223 -0.002 0.000 2.017 253 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 253 L C 2.279 179.156 176.870 0.011 0.000 1.073 253 L CA 1.687 56.566 54.840 0.064 0.000 0.745 253 L CB -0.525 41.604 42.059 0.116 0.000 0.894 253 L HN 0.067 nan 8.230 nan 0.000 0.432 254 M N -1.066 118.519 119.600 -0.025 0.000 2.073 254 M HA -0.308 4.171 4.480 -0.002 0.000 0.258 254 M C 2.416 178.705 176.300 -0.019 0.000 1.070 254 M CA 2.393 57.675 55.300 -0.030 0.000 1.103 254 M CB -0.737 31.836 32.600 -0.045 0.000 1.321 254 M HN 0.465 nan 8.290 nan 0.000 0.405 255 Q N 0.256 120.042 119.800 -0.024 0.000 2.061 255 Q HA -0.205 4.134 4.340 -0.002 0.000 0.204 255 Q C 2.067 178.066 176.000 -0.001 0.000 0.984 255 Q CA 2.080 57.874 55.803 -0.016 0.000 0.846 255 Q CB -0.136 28.587 28.738 -0.024 0.000 0.902 255 Q HN 0.545 nan 8.270 nan 0.000 0.421 256 A N 0.649 123.474 122.820 0.007 0.000 1.908 256 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 256 A C 2.208 179.808 177.584 0.027 0.000 1.181 256 A CA 2.069 54.122 52.037 0.028 0.000 0.627 256 A CB -0.906 18.121 19.000 0.045 0.000 0.818 256 A HN 0.639 nan 8.150 nan 0.000 0.445 257 S N -0.545 115.168 115.700 0.020 0.000 2.447 257 S HA 0.027 4.497 4.470 -0.002 0.000 0.233 257 S C 1.456 176.057 174.600 0.003 0.000 1.006 257 S CA 1.337 59.544 58.200 0.012 0.000 0.957 257 S CB -0.412 62.791 63.200 0.005 0.000 0.773 257 S HN 0.434 nan 8.310 nan 0.000 0.507 258 L N 0.789 122.013 121.223 0.002 0.000 2.640 258 L HA 0.338 4.677 4.340 -0.002 0.000 0.230 258 L C 0.331 177.203 176.870 0.004 0.000 1.123 258 L CA -0.090 54.749 54.840 -0.000 0.000 0.900 258 L CB 0.055 42.111 42.059 -0.005 0.000 1.146 258 L HN 0.197 nan 8.230 nan 0.000 0.484 259 D N 2.584 122.990 120.400 0.010 0.000 2.339 259 D HA 0.174 4.813 4.640 -0.002 0.000 0.241 259 D C -2.230 174.081 176.300 0.018 0.000 1.183 259 D CA -1.964 52.045 54.000 0.015 0.000 0.859 259 D CB 1.344 42.156 40.800 0.021 0.000 1.067 259 D HN -0.065 nan 8.370 nan 0.000 0.484 260 P HA 0.054 nan 4.420 nan 0.000 0.274 260 P C 0.393 177.705 177.300 0.021 0.000 1.231 260 P CA 0.156 63.265 63.100 0.016 0.000 0.790 260 P CB 1.046 32.753 31.700 0.012 0.000 0.951 261 S N -0.769 114.946 115.700 0.024 0.000 2.427 261 S HA -0.141 4.328 4.470 -0.002 0.000 0.253 261 S C 0.058 174.683 174.600 0.042 0.000 1.246 261 S CA 0.908 59.126 58.200 0.030 0.000 1.421 261 S CB -2.461 60.754 63.200 0.024 0.000 1.769 261 S HN 0.249 nan 8.310 nan 0.000 0.620 262 V N 3.739 123.680 119.914 0.045 0.000 2.387 262 V HA 0.477 4.596 4.120 -0.002 0.000 0.260 262 V C 1.877 178.009 176.094 0.063 0.000 1.054 262 V CA 0.723 63.063 62.300 0.066 0.000 0.967 262 V CB 0.523 32.387 31.823 0.068 0.000 1.036 262 V HN 0.809 nan 8.190 nan 0.000 0.481 263 T N 0.545 115.151 114.554 0.088 0.000 3.023 263 T HA 0.157 4.506 4.350 -0.002 0.000 0.249 263 T C 0.613 175.286 174.700 -0.046 0.000 1.050 263 T CA 0.300 62.433 62.100 0.056 0.000 1.088 263 T CB 0.147 69.090 68.868 0.126 0.000 0.946 263 T HN 0.594 nan 8.240 nan 0.000 0.480 264 H N 0.273 119.383 119.070 0.066 0.000 2.609 264 H HA 0.638 5.194 4.556 -0.002 0.000 0.344 264 H C -1.689 173.842 175.328 0.338 0.000 1.040 264 H CA -0.865 55.279 56.048 0.160 0.000 1.216 264 H CB 2.281 31.992 29.762 -0.085 0.000 1.529 264 H HN 0.125 nan 8.280 nan 0.000 0.519 265 L N 4.524 126.030 121.223 0.472 0.000 2.406 265 L HA 0.400 4.739 4.340 -0.002 0.000 0.272 265 L C -1.023 175.996 176.870 0.248 0.000 0.980 265 L CA -0.455 54.596 54.840 0.353 0.000 0.831 265 L CB 1.676 43.844 42.059 0.182 0.000 1.253 265 L HN 0.635 nan 8.230 nan 0.000 0.406 266 M N 4.574 124.255 119.600 0.135 0.000 2.125 266 M HA 0.702 5.181 4.480 -0.002 0.000 0.321 266 M C -0.580 175.666 176.300 -0.090 0.000 0.983 266 M CA -0.381 54.821 55.300 -0.163 0.000 0.934 266 M CB 1.212 33.452 32.600 -0.600 0.000 1.542 266 M HN 0.790 nan 8.290 nan 0.000 0.424 267 G N 6.755 115.433 108.800 -0.203 0.000 2.660 267 G HA2 0.599 4.558 3.960 -0.002 0.000 0.305 267 G HA3 0.599 4.558 3.960 -0.002 0.000 0.305 267 G C -1.323 173.037 174.900 -0.900 0.000 1.329 267 G CA -0.521 44.205 45.100 -0.625 0.000 1.000 267 G HN 0.724 nan 8.290 nan 0.000 0.514 268 L N 2.755 123.522 121.223 -0.759 0.000 2.294 268 L HA 0.419 4.758 4.340 -0.002 0.000 0.283 268 L C 0.019 176.669 176.870 -0.368 0.000 1.015 268 L CA -0.708 53.914 54.840 -0.364 0.000 0.831 268 L CB 1.385 43.477 42.059 0.054 0.000 1.217 268 L HN 0.560 nan 8.230 nan 0.000 0.420 269 F N -0.112 119.927 119.950 0.148 0.000 2.731 269 F HA 0.260 4.786 4.527 -0.001 0.000 0.298 269 F C 1.042 176.956 175.800 0.190 0.000 1.106 269 F CA -0.015 58.080 58.000 0.158 0.000 1.329 269 F CB 0.730 39.788 39.000 0.097 0.000 1.100 269 F HN 0.414 nan 8.300 nan 0.000 0.592 270 E N -0.723 119.648 120.200 0.285 0.000 2.429 270 E HA 0.260 4.610 4.350 -0.002 0.000 0.276 270 E C -1.997 174.697 176.600 0.155 0.000 0.953 270 E CA -1.879 54.674 56.400 0.254 0.000 0.787 270 E CB 1.502 31.323 29.700 0.202 0.000 1.307 270 E HN -0.261 nan 8.360 nan 0.000 0.458 271 P HA -0.096 nan 4.420 nan 0.000 0.215 271 P C 0.524 177.764 177.300 -0.102 0.000 1.157 271 P CA 1.598 64.696 63.100 -0.003 0.000 0.868 271 P CB 0.390 32.068 31.700 -0.036 0.000 0.788 272 G N -1.473 107.287 108.800 -0.066 0.000 3.310 272 G HA2 0.176 4.135 3.960 -0.002 0.000 0.176 272 G HA3 0.176 4.135 3.960 -0.002 0.000 0.176 272 G C -0.659 174.253 174.900 0.021 0.000 1.307 272 G CA -0.222 44.844 45.100 -0.057 0.000 0.935 272 G HN -0.067 nan 8.290 nan 0.000 0.628 273 D N 0.725 121.134 120.400 0.014 0.000 2.382 273 D HA 0.228 4.867 4.640 -0.002 0.000 0.240 273 D C 0.660 176.972 176.300 0.020 0.000 1.146 273 D CA 0.360 54.370 54.000 0.016 0.000 0.897 273 D CB 0.832 41.632 40.800 0.000 0.000 1.197 273 D HN 0.071 nan 8.370 nan 0.000 0.432 274 M N 0.808 120.424 119.600 0.027 0.000 2.226 274 M HA 0.068 4.547 4.480 -0.002 0.000 0.324 274 M C 0.941 177.229 176.300 -0.021 0.000 1.112 274 M CA 0.122 55.451 55.300 0.048 0.000 1.176 274 M CB 0.598 33.241 32.600 0.072 0.000 1.430 274 M HN -0.032 nan 8.290 nan 0.000 0.462 275 K N 1.069 121.490 120.400 0.035 0.000 2.319 275 K HA 0.111 4.430 4.320 -0.002 0.000 0.265 275 K C -0.974 175.625 176.600 -0.001 0.000 1.000 275 K CA -0.036 56.280 56.287 0.049 0.000 0.943 275 K CB 0.290 32.887 32.500 0.163 0.000 0.950 275 K HN 0.403 nan 8.250 nan 0.000 0.485 276 Y N 1.296 121.633 120.300 0.062 0.000 2.788 276 Y HA -0.187 4.362 4.550 -0.002 0.000 0.341 276 Y C 1.803 177.659 175.900 -0.073 0.000 1.258 276 Y CA 0.186 58.251 58.100 -0.058 0.000 1.503 276 Y CB 0.302 38.638 38.460 -0.207 0.000 1.325 276 Y HN 0.722 nan 8.280 nan 0.000 0.614 277 E N 2.628 122.889 120.200 0.102 0.000 2.097 277 E HA -0.246 4.104 4.350 -0.002 0.000 0.196 277 E C 1.620 178.237 176.600 0.028 0.000 1.000 277 E CA 2.179 58.605 56.400 0.044 0.000 0.804 277 E CB -0.436 29.277 29.700 0.022 0.000 0.740 277 E HN 0.718 nan 8.360 nan 0.000 0.454 278 I N -2.271 118.283 120.570 -0.027 0.000 2.567 278 I HA -0.157 4.012 4.170 -0.002 0.000 0.257 278 I C 1.277 177.422 176.117 0.046 0.000 1.184 278 I CA 1.612 62.891 61.300 -0.036 0.000 1.451 278 I CB -0.531 37.418 38.000 -0.084 0.000 1.089 278 I HN 0.112 nan 8.210 nan 0.000 0.441 279 H N 0.363 119.510 119.070 0.128 0.000 2.652 279 H HA 0.315 4.870 4.556 -0.002 0.000 0.274 279 H C 0.633 176.016 175.328 0.091 0.000 1.021 279 H CA -0.647 55.467 56.048 0.108 0.000 1.187 279 H CB 0.307 30.152 29.762 0.139 0.000 1.505 279 H HN 0.220 nan 8.280 nan 0.000 0.530 280 R N 2.326 122.925 120.500 0.165 0.000 2.489 280 R HA -0.050 4.289 4.340 -0.002 0.000 0.287 280 R C -0.553 175.800 176.300 0.088 0.000 1.053 280 R CA -0.221 55.944 56.100 0.109 0.000 1.036 280 R CB 0.348 30.682 30.300 0.057 0.000 0.966 280 R HN 0.133 nan 8.270 nan 0.000 0.432 281 D N 2.710 123.160 120.400 0.084 0.000 2.352 281 D HA -0.020 4.619 4.640 -0.002 0.000 0.245 281 D C 0.614 176.928 176.300 0.025 0.000 1.224 281 D CA 0.081 54.117 54.000 0.060 0.000 0.879 281 D CB 1.046 41.889 40.800 0.073 0.000 1.057 281 D HN 0.640 nan 8.370 nan 0.000 0.491 282 S N 1.464 117.171 115.700 0.012 0.000 2.555 282 S HA -0.139 4.330 4.470 -0.002 0.000 0.230 282 S C 1.692 176.276 174.600 -0.027 0.000 0.978 282 S CA 1.037 59.229 58.200 -0.013 0.000 0.934 282 S CB -0.271 62.923 63.200 -0.009 0.000 0.766 282 S HN 0.556 nan 8.310 nan 0.000 0.533 283 T N -0.445 114.099 114.554 -0.017 0.000 2.976 283 T HA 0.260 4.609 4.350 -0.002 0.000 0.257 283 T C 1.625 176.300 174.700 -0.042 0.000 1.051 283 T CA 0.087 62.170 62.100 -0.029 0.000 1.141 283 T CB -0.262 68.596 68.868 -0.017 0.000 0.881 283 T HN 0.252 nan 8.240 nan 0.000 0.461 284 L N 0.756 121.968 121.223 -0.020 0.000 2.298 284 L HA 0.403 4.742 4.340 -0.002 0.000 0.209 284 L C -0.335 176.524 176.870 -0.018 0.000 1.084 284 L CA 0.997 55.832 54.840 -0.009 0.000 0.816 284 L CB -0.493 41.594 42.059 0.047 0.000 0.967 284 L HN 0.339 nan 8.230 nan 0.000 0.460 285 D N 0.366 120.739 120.400 -0.044 0.000 2.649 285 D HA 0.311 4.950 4.640 -0.002 0.000 0.249 285 D C -2.425 173.750 176.300 -0.210 0.000 1.112 285 D CA -1.312 52.618 54.000 -0.117 0.000 0.850 285 D CB 2.316 43.111 40.800 -0.009 0.000 1.399 285 D HN -0.047 nan 8.370 nan 0.000 0.503 286 P HA 0.119 nan 4.420 nan 0.000 0.279 286 P C -0.267 176.902 177.300 -0.218 0.000 1.239 286 P CA -0.544 62.356 63.100 -0.333 0.000 0.789 286 P CB 1.143 32.540 31.700 -0.506 0.000 0.933 287 S N 2.649 118.273 115.700 -0.127 0.000 2.596 287 S HA 0.024 4.493 4.470 -0.002 0.000 0.260 287 S C 1.373 175.937 174.600 -0.060 0.000 1.336 287 S CA -0.507 57.650 58.200 -0.071 0.000 0.993 287 S CB -0.121 63.051 63.200 -0.046 0.000 0.923 287 S HN 0.345 nan 8.310 nan 0.000 0.567 288 L N 1.136 122.349 121.223 -0.017 0.000 2.042 288 L HA -0.078 4.261 4.340 -0.002 0.000 0.210 288 L C 2.547 179.427 176.870 0.016 0.000 1.076 288 L CA 2.218 57.070 54.840 0.019 0.000 0.749 288 L CB -0.961 41.135 42.059 0.061 0.000 0.893 288 L HN 0.968 nan 8.230 nan 0.000 0.432 289 M N -1.042 118.557 119.600 -0.003 0.000 2.117 289 M HA -0.255 4.224 4.480 -0.002 0.000 0.262 289 M C 2.082 178.371 176.300 -0.018 0.000 1.065 289 M CA 1.977 57.270 55.300 -0.011 0.000 1.114 289 M CB -0.137 32.444 32.600 -0.031 0.000 1.361 289 M HN 0.337 nan 8.290 nan 0.000 0.408 290 E N -0.069 120.106 120.200 -0.041 0.000 2.077 290 E HA -0.207 4.142 4.350 -0.002 0.000 0.193 290 E C 2.004 178.572 176.600 -0.054 0.000 0.989 290 E CA 1.727 58.092 56.400 -0.058 0.000 0.800 290 E CB -0.187 29.458 29.700 -0.091 0.000 0.746 290 E HN 0.603 nan 8.360 nan 0.000 0.452 291 M N 0.391 119.957 119.600 -0.055 0.000 2.159 291 M HA -0.151 4.328 4.480 -0.002 0.000 0.263 291 M C 2.733 179.047 176.300 0.023 0.000 1.063 291 M CA 1.746 57.037 55.300 -0.015 0.000 1.110 291 M CB -0.495 32.112 32.600 0.013 0.000 1.374 291 M HN 0.204 nan 8.290 nan 0.000 0.411 292 T N -1.316 113.255 114.554 0.029 0.000 2.904 292 T HA -0.166 4.183 4.350 -0.002 0.000 0.267 292 T C 1.541 176.246 174.700 0.009 0.000 1.059 292 T CA 1.577 63.701 62.100 0.040 0.000 1.137 292 T CB -0.166 68.757 68.868 0.093 0.000 0.879 292 T HN 0.502 nan 8.240 nan 0.000 0.467 293 E N 0.872 121.072 120.200 0.000 0.000 2.077 293 E HA -0.054 4.295 4.350 -0.002 0.000 0.193 293 E C 2.447 179.030 176.600 -0.027 0.000 0.989 293 E CA 1.113 57.504 56.400 -0.016 0.000 0.800 293 E CB -0.609 29.081 29.700 -0.018 0.000 0.746 293 E HN 0.659 nan 8.360 nan 0.000 0.452 294 A N 1.176 123.985 122.820 -0.018 0.000 1.908 294 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 294 A C 2.424 179.999 177.584 -0.016 0.000 1.181 294 A CA 2.085 54.117 52.037 -0.009 0.000 0.627 294 A CB -0.965 18.043 19.000 0.013 0.000 0.818 294 A HN 0.447 nan 8.150 nan 0.000 0.445 295 A N -0.868 121.941 122.820 -0.017 0.000 1.877 295 A HA -0.001 4.318 4.320 -0.002 0.000 0.216 295 A C 2.008 179.502 177.584 -0.149 0.000 1.186 295 A CA 1.693 53.702 52.037 -0.047 0.000 0.620 295 A CB -0.524 18.463 19.000 -0.022 0.000 0.822 295 A HN 0.395 nan 8.150 nan 0.000 0.443 296 L N -0.169 120.953 121.223 -0.169 0.000 2.083 296 L HA -0.089 4.250 4.340 -0.002 0.000 0.209 296 L C 2.529 179.281 176.870 -0.196 0.000 1.083 296 L CA 1.601 56.279 54.840 -0.271 0.000 0.752 296 L CB -1.115 40.849 42.059 -0.159 0.000 0.899 296 L HN 0.376 nan 8.230 nan 0.000 0.433 297 R N -1.315 119.122 120.500 -0.105 0.000 2.096 297 R HA -0.215 4.124 4.340 -0.002 0.000 0.240 297 R C 2.041 178.301 176.300 -0.067 0.000 1.139 297 R CA 1.457 57.518 56.100 -0.065 0.000 0.952 297 R CB -0.508 29.770 30.300 -0.036 0.000 0.854 297 R HN 0.202 nan 8.270 nan 0.000 0.436 298 L N 0.562 121.740 121.223 -0.075 0.000 2.102 298 L HA -0.007 4.333 4.340 -0.002 0.000 0.202 298 L C 1.897 178.712 176.870 -0.092 0.000 1.076 298 L CA 1.479 56.283 54.840 -0.060 0.000 0.761 298 L CB -0.393 41.645 42.059 -0.034 0.000 0.921 298 L HN 0.123 nan 8.230 nan 0.000 0.444 299 L N -0.434 120.682 121.223 -0.179 0.000 2.141 299 L HA -0.152 4.187 4.340 -0.002 0.000 0.209 299 L C 2.497 179.266 176.870 -0.168 0.000 1.094 299 L CA 1.331 56.032 54.840 -0.233 0.000 0.763 299 L CB -0.744 40.988 42.059 -0.544 0.000 0.908 299 L HN 0.477 nan 8.230 nan 0.000 0.437 300 S N -0.484 115.090 115.700 -0.209 0.000 2.507 300 S HA -0.110 4.359 4.470 -0.002 0.000 0.235 300 S C 1.901 176.541 174.600 0.066 0.000 0.988 300 S CA 0.354 58.559 58.200 0.008 0.000 0.944 300 S CB -0.291 62.903 63.200 -0.009 0.000 0.762 300 S HN 0.401 nan 8.310 nan 0.000 0.526 301 R N 1.350 121.865 120.500 0.025 0.000 2.148 301 R HA 0.125 4.464 4.340 -0.002 0.000 0.223 301 R C 0.721 177.053 176.300 0.054 0.000 1.088 301 R CA 0.572 56.692 56.100 0.033 0.000 0.985 301 R CB -0.422 29.886 30.300 0.013 0.000 0.880 301 R HN 0.559 nan 8.270 nan 0.000 0.451 302 N N 2.064 120.811 118.700 0.077 0.000 2.431 302 N HA 0.006 4.745 4.740 -0.002 0.000 0.265 302 N C -1.633 173.932 175.510 0.091 0.000 1.184 302 N CA -1.283 51.817 53.050 0.084 0.000 0.943 302 N CB 1.036 39.587 38.487 0.107 0.000 1.080 302 N HN -0.084 nan 8.380 nan 0.000 0.477 303 P HA -0.135 nan 4.420 nan 0.000 0.222 303 P C 0.387 177.717 177.300 0.049 0.000 1.147 303 P CA 1.114 64.246 63.100 0.054 0.000 0.790 303 P CB 0.241 31.964 31.700 0.038 0.000 0.780 304 R N -0.615 119.917 120.500 0.053 0.000 2.299 304 R HA 0.288 4.627 4.340 -0.002 0.000 0.197 304 R C 1.241 177.567 176.300 0.043 0.000 0.971 304 R CA 0.563 56.688 56.100 0.042 0.000 1.030 304 R CB -0.202 30.123 30.300 0.042 0.000 0.932 304 R HN 0.237 nan 8.270 nan 0.000 0.477 305 G N 0.850 109.697 108.800 0.077 0.000 2.526 305 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.250 305 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.250 305 G C -0.759 174.251 174.900 0.183 0.000 1.289 305 G CA -0.428 44.711 45.100 0.065 0.000 0.947 305 G HN 0.242 nan 8.290 nan 0.000 0.517 306 F N -2.534 117.456 119.950 0.067 0.000 2.662 306 F HA 0.846 5.372 4.527 -0.002 0.000 0.312 306 F C -1.110 174.777 175.800 0.145 0.000 1.113 306 F CA -2.022 56.037 58.000 0.098 0.000 0.951 306 F CB 1.596 40.638 39.000 0.069 0.000 1.344 306 F HN 0.872 nan 8.300 nan 0.000 0.462 307 F N 3.653 123.763 119.950 0.266 0.000 2.467 307 F HA 0.782 5.308 4.527 -0.001 0.000 0.336 307 F C -1.845 174.158 175.800 0.338 0.000 1.123 307 F CA -1.256 56.866 58.000 0.204 0.000 0.964 307 F CB 1.659 40.738 39.000 0.132 0.000 1.136 307 F HN 0.685 nan 8.300 nan 0.000 0.447 308 L N 8.033 129.217 121.223 -0.066 0.000 2.385 308 L HA 0.558 4.897 4.340 -0.002 0.000 0.273 308 L C -2.034 174.705 176.870 -0.218 0.000 0.990 308 L CA -0.697 54.163 54.840 0.034 0.000 0.821 308 L CB 1.484 43.594 42.059 0.085 0.000 1.279 308 L HN 0.573 nan 8.230 nan 0.000 0.412 309 F N 6.003 125.941 119.950 -0.020 0.000 2.411 309 F HA 0.757 5.283 4.527 -0.001 0.000 0.352 309 F C -1.207 174.618 175.800 0.043 0.000 1.123 309 F CA -0.535 57.491 58.000 0.042 0.000 1.044 309 F CB 1.375 40.559 39.000 0.306 0.000 1.135 309 F HN 0.220 nan 8.300 nan 0.000 0.461 310 V N 6.211 125.813 119.914 -0.520 0.000 2.483 310 V HA 0.330 4.449 4.120 -0.002 0.000 0.297 310 V C -0.753 175.121 176.094 -0.367 0.000 1.027 310 V CA -0.777 61.354 62.300 -0.281 0.000 0.855 310 V CB 1.537 33.338 31.823 -0.036 0.000 0.995 310 V HN 0.783 nan 8.190 nan 0.000 0.424 311 E N 3.239 123.257 120.200 -0.304 0.000 2.165 311 E HA 0.524 4.873 4.350 -0.002 0.000 0.266 311 E C 0.335 176.870 176.600 -0.108 0.000 0.889 311 E CA -0.648 55.599 56.400 -0.257 0.000 0.756 311 E CB 1.820 31.414 29.700 -0.176 0.000 1.131 311 E HN 0.835 nan 8.360 nan 0.000 0.411 312 G N 3.037 111.635 108.800 -0.337 0.000 2.916 312 G HA2 0.163 4.122 3.960 -0.002 0.000 0.280 312 G HA3 0.163 4.122 3.960 -0.002 0.000 0.280 312 G C 0.734 175.414 174.900 -0.366 0.000 0.758 312 G CA 0.058 44.930 45.100 -0.380 0.000 1.993 312 G HN 0.617 nan 8.290 nan 0.000 0.564 313 G N 1.049 109.711 108.800 -0.229 0.000 2.623 313 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.214 313 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.214 313 G C 1.522 176.170 174.900 -0.421 0.000 1.138 313 G CA -0.152 44.803 45.100 -0.243 0.000 0.794 313 G HN 0.549 nan 8.290 nan 0.000 0.535 314 R N -0.422 119.854 120.500 -0.372 0.000 2.397 314 R HA 0.327 4.666 4.340 -0.002 0.000 0.241 314 R C 1.877 178.110 176.300 -0.113 0.000 0.914 314 R CA -0.320 55.542 56.100 -0.397 0.000 1.071 314 R CB 0.064 30.164 30.300 -0.334 0.000 1.116 314 R HN 0.339 nan 8.270 nan 0.000 0.524 315 I N 1.432 121.897 120.570 -0.175 0.000 2.113 315 I HA -0.370 3.799 4.170 -0.002 0.000 0.242 315 I C 2.167 178.162 176.117 -0.204 0.000 1.064 315 I CA 1.904 63.076 61.300 -0.214 0.000 1.320 315 I CB -0.329 37.517 38.000 -0.255 0.000 1.028 315 I HN 0.122 nan 8.210 nan 0.000 0.406 316 D N 0.210 120.570 120.400 -0.066 0.000 2.116 316 D HA -0.250 4.389 4.640 -0.002 0.000 0.193 316 D C 2.112 178.561 176.300 0.248 0.000 0.998 316 D CA 1.882 55.980 54.000 0.163 0.000 0.836 316 D CB -0.121 40.903 40.800 0.374 0.000 0.951 316 D HN 0.470 nan 8.370 nan 0.000 0.449 317 H N -1.140 118.051 119.070 0.201 0.000 2.353 317 H HA -0.007 4.548 4.556 -0.001 0.000 0.300 317 H C 2.184 177.651 175.328 0.231 0.000 1.090 317 H CA 0.592 56.815 56.048 0.292 0.000 1.327 317 H CB -0.183 29.697 29.762 0.197 0.000 1.383 317 H HN 0.275 nan 8.280 nan 0.000 0.508 318 G N 0.814 109.771 108.800 0.261 0.000 2.491 318 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.218 318 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.218 318 G C 1.288 176.121 174.900 -0.112 0.000 1.180 318 G CA 1.044 46.132 45.100 -0.020 0.000 0.774 318 G HN 0.429 nan 8.290 nan 0.000 0.562 319 H N 0.108 119.040 119.070 -0.230 0.000 2.353 319 H HA -0.035 4.520 4.556 -0.002 0.000 0.300 319 H C 2.475 177.586 175.328 -0.362 0.000 1.090 319 H CA 1.339 57.144 56.048 -0.406 0.000 1.327 319 H CB -0.457 28.729 29.762 -0.960 0.000 1.383 319 H HN 0.374 nan 8.280 nan 0.000 0.508 320 H N 0.903 120.007 119.070 0.055 0.000 2.422 320 H HA -0.074 4.482 4.556 -0.001 0.000 0.298 320 H C 1.651 176.968 175.328 -0.018 0.000 1.098 320 H CA 1.050 57.157 56.048 0.099 0.000 1.315 320 H CB 0.077 29.948 29.762 0.182 0.000 1.382 320 H HN 0.560 nan 8.280 nan 0.000 0.523 321 E N 0.361 120.611 120.200 0.082 0.000 2.481 321 E HA 0.002 4.351 4.350 -0.002 0.000 0.195 321 E C 0.376 176.900 176.600 -0.127 0.000 1.047 321 E CA 0.237 56.638 56.400 0.001 0.000 0.867 321 E CB 0.263 29.982 29.700 0.030 0.000 0.858 321 E HN 0.104 nan 8.360 nan 0.000 0.513 322 S N 0.717 116.227 115.700 -0.318 0.000 3.581 322 S HA -0.218 4.251 4.470 -0.002 0.000 0.354 322 S C -0.100 174.430 174.600 -0.116 0.000 1.059 322 S CA 0.635 58.452 58.200 -0.639 0.000 1.060 322 S CB -1.027 61.817 63.200 -0.593 0.000 0.908 322 S HN 0.331 nan 8.310 nan 0.000 0.475 323 R N 0.291 120.772 120.500 -0.032 0.000 2.423 323 R HA 0.483 4.822 4.340 -0.002 0.000 0.293 323 R C 1.366 177.731 176.300 0.108 0.000 1.196 323 R CA 0.305 56.427 56.100 0.037 0.000 1.262 323 R CB 0.456 30.713 30.300 -0.073 0.000 1.116 323 R HN 0.327 nan 8.270 nan 0.000 0.566 324 A N 1.952 124.974 122.820 0.338 0.000 2.024 324 A HA -0.247 4.072 4.320 -0.002 0.000 0.220 324 A C 1.687 179.436 177.584 0.274 0.000 1.164 324 A CA 1.158 53.390 52.037 0.325 0.000 0.643 324 A CB -0.397 18.962 19.000 0.599 0.000 0.806 324 A HN 0.768 nan 8.150 nan 0.000 0.451 325 Y N 0.428 120.746 120.300 0.031 0.000 2.165 325 Y HA -0.243 4.306 4.550 -0.002 0.000 0.286 325 Y C 2.553 178.342 175.900 -0.185 0.000 1.155 325 Y CA 2.238 60.172 58.100 -0.277 0.000 1.164 325 Y CB -0.160 37.922 38.460 -0.630 0.000 0.978 325 Y HN 0.292 nan 8.280 nan 0.000 0.513 326 R N -0.531 119.925 120.500 -0.074 0.000 2.073 326 R HA -0.070 4.269 4.340 -0.002 0.000 0.229 326 R C 2.560 178.715 176.300 -0.241 0.000 1.120 326 R CA 0.983 56.908 56.100 -0.291 0.000 0.967 326 R CB -0.651 29.243 30.300 -0.677 0.000 0.862 326 R HN 0.377 nan 8.270 nan 0.000 0.436 327 A N 1.442 124.088 122.820 -0.290 0.000 1.883 327 A HA -0.155 4.164 4.320 -0.002 0.000 0.217 327 A C 2.157 179.534 177.584 -0.346 0.000 1.186 327 A CA 1.365 53.112 52.037 -0.482 0.000 0.624 327 A CB -0.580 17.736 19.000 -1.141 0.000 0.822 327 A HN 0.177 nan 8.150 nan 0.000 0.444 328 L N -0.380 120.702 121.223 -0.235 0.000 2.131 328 L HA -0.101 4.238 4.340 -0.002 0.000 0.206 328 L C 2.930 179.716 176.870 -0.140 0.000 1.087 328 L CA 1.606 56.355 54.840 -0.151 0.000 0.767 328 L CB -1.065 40.958 42.059 -0.060 0.000 0.917 328 L HN 0.629 nan 8.230 nan 0.000 0.441 329 T N -3.244 111.200 114.554 -0.183 0.000 2.821 329 T HA -0.129 4.221 4.350 -0.002 0.000 0.267 329 T C 1.691 176.337 174.700 -0.091 0.000 1.046 329 T CA 0.787 62.785 62.100 -0.171 0.000 1.139 329 T CB -0.196 68.531 68.868 -0.234 0.000 0.871 329 T HN 0.193 nan 8.240 nan 0.000 0.454 330 E N 1.263 121.417 120.200 -0.076 0.000 2.110 330 E HA -0.070 4.279 4.350 -0.002 0.000 0.193 330 E C 2.458 179.046 176.600 -0.020 0.000 0.988 330 E CA 1.487 57.868 56.400 -0.032 0.000 0.804 330 E CB -0.820 28.863 29.700 -0.028 0.000 0.745 330 E HN 0.611 nan 8.360 nan 0.000 0.458 331 T N 1.598 116.120 114.554 -0.054 0.000 2.821 331 T HA -0.043 4.306 4.350 -0.002 0.000 0.267 331 T C 2.143 176.865 174.700 0.037 0.000 1.046 331 T CA 0.718 62.825 62.100 0.012 0.000 1.139 331 T CB -0.141 68.705 68.868 -0.038 0.000 0.871 331 T HN 0.102 nan 8.240 nan 0.000 0.454 332 I N 0.739 121.291 120.570 -0.031 0.000 2.226 332 I HA -0.174 3.995 4.170 -0.002 0.000 0.245 332 I C 2.515 178.607 176.117 -0.042 0.000 1.100 332 I CA 1.118 62.386 61.300 -0.053 0.000 1.374 332 I CB -0.320 37.637 38.000 -0.072 0.000 1.057 332 I HN 0.219 nan 8.210 nan 0.000 0.413 333 M N 0.697 120.289 119.600 -0.014 0.000 2.159 333 M HA -0.242 4.238 4.480 -0.002 0.000 0.263 333 M C 2.024 178.340 176.300 0.027 0.000 1.063 333 M CA 1.802 57.099 55.300 -0.004 0.000 1.110 333 M CB -0.778 31.827 32.600 0.007 0.000 1.374 333 M HN 0.214 nan 8.290 nan 0.000 0.411 334 F N 0.764 120.652 119.950 -0.102 0.000 2.095 334 F HA -0.191 4.336 4.527 -0.001 0.000 0.298 334 F C 1.898 177.595 175.800 -0.171 0.000 1.104 334 F CA 2.445 60.376 58.000 -0.115 0.000 1.232 334 F CB -1.030 37.898 39.000 -0.119 0.000 0.987 334 F HN 0.356 nan 8.300 nan 0.000 0.475 335 D N -0.134 120.096 120.400 -0.285 0.000 2.144 335 D HA -0.187 4.452 4.640 -0.002 0.000 0.199 335 D C 1.760 177.856 176.300 -0.339 0.000 0.984 335 D CA 1.625 55.371 54.000 -0.423 0.000 0.834 335 D CB -0.247 40.392 40.800 -0.267 0.000 0.955 335 D HN 0.267 nan 8.370 nan 0.000 0.465 336 D N -0.310 119.965 120.400 -0.208 0.000 2.144 336 D HA -0.102 4.537 4.640 -0.002 0.000 0.199 336 D C 1.954 178.155 176.300 -0.165 0.000 0.984 336 D CA 1.205 55.112 54.000 -0.155 0.000 0.834 336 D CB -0.401 40.342 40.800 -0.094 0.000 0.955 336 D HN 0.311 nan 8.370 nan 0.000 0.465 337 A N 0.664 123.378 122.820 -0.177 0.000 1.898 337 A HA -0.103 4.216 4.320 -0.002 0.000 0.216 337 A C 2.361 179.804 177.584 -0.235 0.000 1.181 337 A CA 0.714 52.675 52.037 -0.127 0.000 0.620 337 A CB -0.644 18.338 19.000 -0.031 0.000 0.819 337 A HN 0.171 nan 8.150 nan 0.000 0.442 338 I N -0.561 119.659 120.570 -0.582 0.000 2.163 338 I HA -0.283 3.886 4.170 -0.002 0.000 0.243 338 I C 2.573 178.435 176.117 -0.424 0.000 1.085 338 I CA 1.887 62.620 61.300 -0.945 0.000 1.347 338 I CB -0.312 36.982 38.000 -1.176 0.000 1.044 338 I HN 0.533 nan 8.210 nan 0.000 0.408 339 E N 0.874 120.899 120.200 -0.292 0.000 2.051 339 E HA -0.302 4.047 4.350 -0.002 0.000 0.192 339 E C 2.315 178.856 176.600 -0.098 0.000 0.991 339 E CA 1.244 57.549 56.400 -0.158 0.000 0.799 339 E CB 0.044 29.661 29.700 -0.139 0.000 0.748 339 E HN 0.129 nan 8.360 nan 0.000 0.449 340 R N 0.673 121.120 120.500 -0.088 0.000 2.073 340 R HA -0.059 4.281 4.340 -0.002 0.000 0.234 340 R C 2.040 178.344 176.300 0.007 0.000 1.134 340 R CA 1.794 57.872 56.100 -0.037 0.000 0.952 340 R CB -1.014 29.267 30.300 -0.031 0.000 0.850 340 R HN 0.242 nan 8.270 nan 0.000 0.433 341 A N -0.455 122.394 122.820 0.049 0.000 1.908 341 A HA -0.076 4.243 4.320 -0.002 0.000 0.218 341 A C 2.373 180.028 177.584 0.119 0.000 1.181 341 A CA 1.838 53.967 52.037 0.153 0.000 0.627 341 A CB -1.415 17.831 19.000 0.409 0.000 0.818 341 A HN 0.523 nan 8.150 nan 0.000 0.445 342 G N -1.089 107.742 108.800 0.052 0.000 2.450 342 G HA2 -0.228 3.732 3.960 -0.002 0.000 0.220 342 G HA3 -0.228 3.732 3.960 -0.002 0.000 0.220 342 G C 1.573 176.473 174.900 -0.001 0.000 1.130 342 G CA 0.993 46.097 45.100 0.007 0.000 0.760 342 G HN 0.661 nan 8.290 nan 0.000 0.557 343 Q N -0.672 119.126 119.800 -0.003 0.000 2.230 343 Q HA 0.204 4.543 4.340 -0.002 0.000 0.202 343 Q C 2.216 178.222 176.000 0.011 0.000 0.963 343 Q CA 0.454 56.254 55.803 -0.005 0.000 0.866 343 Q CB 0.002 28.731 28.738 -0.014 0.000 0.931 343 Q HN 0.439 nan 8.270 nan 0.000 0.452 344 L N 0.116 121.358 121.223 0.030 0.000 2.585 344 L HA 0.146 4.485 4.340 -0.002 0.000 0.226 344 L C 0.649 177.561 176.870 0.071 0.000 1.113 344 L CA 0.067 54.931 54.840 0.040 0.000 0.876 344 L CB 0.405 42.484 42.059 0.033 0.000 1.072 344 L HN 0.147 nan 8.230 nan 0.000 0.468 345 T N -4.660 109.945 114.554 0.084 0.000 2.901 345 T HA 0.445 4.794 4.350 -0.002 0.000 0.293 345 T C -0.439 174.294 174.700 0.055 0.000 1.084 345 T CA -0.655 61.510 62.100 0.108 0.000 1.008 345 T CB 2.404 71.379 68.868 0.177 0.000 1.170 345 T HN -0.137 nan 8.240 nan 0.000 0.509 346 S N -0.187 115.538 115.700 0.042 0.000 2.451 346 S HA 0.267 4.736 4.470 -0.002 0.000 0.301 346 S C 1.097 175.694 174.600 -0.004 0.000 1.116 346 S CA -0.562 57.645 58.200 0.011 0.000 1.093 346 S CB 0.838 64.044 63.200 0.011 0.000 1.017 346 S HN 0.889 nan 8.310 nan 0.000 0.482 347 E N 3.055 123.241 120.200 -0.023 0.000 2.478 347 E HA -0.064 4.285 4.350 -0.002 0.000 0.198 347 E C 0.683 177.278 176.600 -0.009 0.000 1.046 347 E CA 0.500 56.883 56.400 -0.030 0.000 0.870 347 E CB 0.016 29.678 29.700 -0.063 0.000 0.818 347 E HN 0.567 nan 8.360 nan 0.000 0.527 348 E N 1.942 122.138 120.200 -0.006 0.000 2.153 348 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 348 E C 1.082 177.679 176.600 -0.003 0.000 0.988 348 E CA 1.616 58.016 56.400 -0.000 0.000 0.811 348 E CB -0.024 29.676 29.700 -0.001 0.000 0.746 348 E HN 0.684 nan 8.360 nan 0.000 0.466 349 D N -1.535 118.856 120.400 -0.013 0.000 2.525 349 D HA 0.021 4.661 4.640 -0.002 0.000 0.231 349 D C -0.300 175.962 176.300 -0.064 0.000 1.216 349 D CA -0.067 53.915 54.000 -0.031 0.000 0.813 349 D CB 0.079 40.862 40.800 -0.028 0.000 1.108 349 D HN -0.240 nan 8.370 nan 0.000 0.524 350 T N 1.551 116.073 114.554 -0.053 0.000 2.815 350 T HA 0.405 4.755 4.350 -0.002 0.000 0.289 350 T C -0.793 173.887 174.700 -0.034 0.000 1.000 350 T CA -0.622 61.428 62.100 -0.083 0.000 0.958 350 T CB 1.659 70.495 68.868 -0.052 0.000 0.944 350 T HN 0.054 nan 8.240 nan 0.000 0.442 351 L N 4.014 125.216 121.223 -0.035 0.000 2.278 351 L HA 0.557 4.896 4.340 -0.002 0.000 0.287 351 L C -0.274 176.631 176.870 0.058 0.000 1.072 351 L CA 0.280 55.138 54.840 0.030 0.000 0.819 351 L CB 0.463 42.545 42.059 0.037 0.000 1.176 351 L HN 0.509 nan 8.230 nan 0.000 0.435 352 S N 6.429 122.219 115.700 0.150 0.000 2.449 352 S HA 0.680 5.149 4.470 -0.002 0.000 0.310 352 S C -0.605 174.274 174.600 0.464 0.000 1.096 352 S CA -0.588 57.797 58.200 0.308 0.000 1.095 352 S CB 1.033 64.501 63.200 0.446 0.000 1.007 352 S HN 0.516 nan 8.310 nan 0.000 0.474 353 L N 3.201 124.660 121.223 0.394 0.000 2.341 353 L HA 0.648 4.987 4.340 -0.002 0.000 0.278 353 L C -0.849 176.255 176.870 0.391 0.000 1.005 353 L CA -0.992 54.080 54.840 0.388 0.000 0.818 353 L CB 1.674 43.888 42.059 0.260 0.000 1.259 353 L HN 0.307 nan 8.230 nan 0.000 0.418 354 V N 1.950 122.035 119.914 0.284 0.000 2.435 354 V HA 0.697 4.816 4.120 -0.002 0.000 0.290 354 V C 0.093 176.353 176.094 0.277 0.000 1.030 354 V CA -0.175 62.244 62.300 0.199 0.000 0.881 354 V CB 1.774 33.451 31.823 -0.243 0.000 0.983 354 V HN 0.912 nan 8.190 nan 0.000 0.445 355 T N 2.574 117.256 114.554 0.214 0.000 2.671 355 T HA 0.805 5.154 4.350 -0.002 0.000 0.300 355 T C -1.369 173.333 174.700 0.002 0.000 1.238 355 T CA 0.247 62.414 62.100 0.112 0.000 1.020 355 T CB 1.894 70.777 68.868 0.025 0.000 1.503 355 T HN 1.043 nan 8.240 nan 0.000 0.497 356 A N 0.668 123.441 122.820 -0.078 0.000 2.380 356 A HA 0.650 4.969 4.320 -0.002 0.000 0.315 356 A C 0.673 178.109 177.584 -0.246 0.000 1.101 356 A CA -0.167 51.760 52.037 -0.182 0.000 0.771 356 A CB 1.204 20.131 19.000 -0.121 0.000 1.287 356 A HN 0.885 nan 8.150 nan 0.000 0.436 357 D N 0.029 120.241 120.400 -0.313 0.000 2.183 357 D HA 0.067 4.706 4.640 -0.002 0.000 0.203 357 D C 0.495 176.785 176.300 -0.016 0.000 0.969 357 D CA 2.043 55.972 54.000 -0.118 0.000 0.842 357 D CB -0.320 40.546 40.800 0.109 0.000 0.957 357 D HN 0.850 nan 8.370 nan 0.000 0.484 358 H N -4.064 114.979 119.070 -0.045 0.000 2.876 358 H HA 0.559 5.114 4.556 -0.001 0.000 0.284 358 H C -1.088 174.199 175.328 -0.068 0.000 1.445 358 H CA -0.711 55.305 56.048 -0.052 0.000 1.141 358 H CB 0.512 30.207 29.762 -0.111 0.000 1.816 358 H HN -0.068 nan 8.280 nan 0.000 0.511 359 S N -1.220 114.568 115.700 0.146 0.000 2.713 359 S HA 0.523 4.992 4.470 -0.002 0.000 0.296 359 S C -0.961 173.700 174.600 0.102 0.000 1.114 359 S CA -0.502 57.781 58.200 0.139 0.000 0.997 359 S CB 0.724 64.005 63.200 0.136 0.000 1.249 359 S HN 0.674 nan 8.310 nan 0.000 0.534 360 H N -0.521 118.641 119.070 0.152 0.000 2.946 360 H HA 0.331 4.886 4.556 -0.001 0.000 0.365 360 H C -0.266 175.149 175.328 0.145 0.000 1.197 360 H CA -0.319 55.812 56.048 0.138 0.000 1.131 360 H CB 1.624 31.361 29.762 -0.042 0.000 1.849 360 H HN 0.475 nan 8.280 nan 0.000 0.555 361 V N 0.000 120.109 119.914 0.324 0.000 3.387 361 V HA 0.130 4.249 4.120 -0.002 0.000 0.353 361 V C 0.149 176.397 176.094 0.257 0.000 1.193 361 V CA 0.046 62.500 62.300 0.256 0.000 1.379 361 V CB -1.911 30.055 31.823 0.237 0.000 1.157 361 V HN 0.312 nan 8.190 nan 0.000 0.431 362 F N 2.788 122.724 119.950 -0.023 0.000 2.404 362 F HA 0.707 5.233 4.527 -0.002 0.000 0.345 362 F C 0.494 176.191 175.800 -0.172 0.000 1.110 362 F CA -0.430 57.383 58.000 -0.311 0.000 1.130 362 F CB 1.296 40.010 39.000 -0.476 0.000 1.129 362 F HN 0.369 nan 8.300 nan 0.000 0.500 363 S N 6.074 121.324 115.700 -0.750 0.000 2.570 363 S HA 0.694 5.163 4.470 -0.002 0.000 0.286 363 S C -1.427 172.816 174.600 -0.594 0.000 1.099 363 S CA -0.714 57.161 58.200 -0.542 0.000 0.913 363 S CB 1.941 64.993 63.200 -0.246 0.000 1.085 363 S HN 0.644 nan 8.310 nan 0.000 0.480 364 F N 1.541 121.183 119.950 -0.513 0.000 2.500 364 F HA 0.803 5.329 4.527 -0.002 0.000 0.349 364 F C 0.055 175.705 175.800 -0.250 0.000 1.127 364 F CA -0.546 57.224 58.000 -0.384 0.000 0.998 364 F CB 0.938 39.748 39.000 -0.316 0.000 1.237 364 F HN 1.029 nan 8.300 nan 0.000 0.439 365 G N 2.287 110.899 108.800 -0.313 0.000 3.107 365 G HA2 0.604 4.563 3.960 -0.002 0.000 0.233 365 G HA3 0.604 4.563 3.960 -0.002 0.000 0.233 365 G C 0.084 174.751 174.900 -0.387 0.000 1.168 365 G CA -0.189 44.647 45.100 -0.440 0.000 0.801 365 G HN 1.422 nan 8.290 nan 0.000 0.605 366 G N -1.380 107.210 108.800 -0.350 0.000 2.692 366 G HA2 -0.052 3.908 3.960 -0.002 0.000 0.248 366 G HA3 -0.052 3.908 3.960 -0.002 0.000 0.248 366 G C -0.637 173.836 174.900 -0.711 0.000 1.340 366 G CA 0.462 45.348 45.100 -0.357 0.000 0.896 366 G HN 1.191 nan 8.290 nan 0.000 0.570 367 Y N 1.167 121.422 120.300 -0.074 0.000 2.495 367 Y HA 0.423 4.972 4.550 -0.001 0.000 0.362 367 Y C -1.595 174.265 175.900 -0.066 0.000 0.956 367 Y CA -1.094 56.956 58.100 -0.083 0.000 1.127 367 Y CB 0.985 39.414 38.460 -0.052 0.000 1.173 367 Y HN 0.476 nan 8.280 nan 0.000 0.639 368 P HA 0.111 nan 4.420 nan 0.000 0.271 368 P C -0.008 177.323 177.300 0.052 0.000 1.218 368 P CA -0.090 63.028 63.100 0.030 0.000 0.780 368 P CB 1.565 33.301 31.700 0.060 0.000 0.901 369 L N 1.647 122.895 121.223 0.041 0.000 2.467 369 L HA 0.208 4.547 4.340 -0.002 0.000 0.270 369 L C 1.348 178.245 176.870 0.045 0.000 1.205 369 L CA -0.615 54.247 54.840 0.038 0.000 0.828 369 L CB -0.110 41.964 42.059 0.024 0.000 1.101 369 L HN 0.388 nan 8.230 nan 0.000 0.479 370 R N 1.471 121.997 120.500 0.043 0.000 2.504 370 R HA 0.152 4.491 4.340 -0.002 0.000 0.291 370 R C 0.916 177.235 176.300 0.032 0.000 0.974 370 R CA 1.233 57.361 56.100 0.046 0.000 1.077 370 R CB -0.225 30.100 30.300 0.042 0.000 0.926 370 R HN 0.817 nan 8.270 nan 0.000 0.407 371 G N 2.032 110.851 108.800 0.030 0.000 2.217 371 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.246 371 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.246 371 G C 0.006 174.912 174.900 0.011 0.000 0.990 371 G CA 0.267 45.377 45.100 0.016 0.000 0.627 371 G HN 0.691 nan 8.290 nan 0.000 0.522 372 S N 0.276 115.987 115.700 0.018 0.000 2.572 372 S HA 0.508 4.977 4.470 -0.002 0.000 0.279 372 S C 0.813 175.408 174.600 -0.007 0.000 1.341 372 S CA 0.545 58.753 58.200 0.013 0.000 1.043 372 S CB 1.502 64.716 63.200 0.023 0.000 0.887 372 S HN 1.043 nan 8.310 nan 0.000 0.516 373 S N 1.122 116.819 115.700 -0.005 0.000 2.549 373 S HA 0.052 4.522 4.470 -0.002 0.000 0.286 373 S C 1.208 175.745 174.600 -0.105 0.000 1.314 373 S CA -0.590 57.593 58.200 -0.028 0.000 1.062 373 S CB -0.064 63.172 63.200 0.059 0.000 0.865 373 S HN 0.575 nan 8.310 nan 0.000 0.498 374 I N 4.521 124.909 120.570 -0.303 0.000 2.567 374 I HA 0.024 4.194 4.170 -0.002 0.000 0.257 374 I C 0.722 176.580 176.117 -0.432 0.000 1.184 374 I CA 1.413 62.412 61.300 -0.501 0.000 1.451 374 I CB -0.239 37.292 38.000 -0.781 0.000 1.089 374 I HN 0.729 nan 8.210 nan 0.000 0.441 375 F N 0.150 120.120 119.950 0.033 0.000 2.693 375 F HA 0.393 4.919 4.527 -0.002 0.000 0.303 375 F C 1.584 177.401 175.800 0.029 0.000 1.097 375 F CA -0.155 57.892 58.000 0.079 0.000 1.330 375 F CB -1.199 37.882 39.000 0.136 0.000 1.067 375 F HN -0.048 nan 8.300 nan 0.000 0.565 376 G N 0.362 109.229 108.800 0.112 0.000 2.588 376 G HA2 0.476 4.435 3.960 -0.002 0.000 0.281 376 G HA3 0.476 4.435 3.960 -0.002 0.000 0.281 376 G C -0.334 174.567 174.900 0.003 0.000 1.236 376 G CA -0.652 44.476 45.100 0.046 0.000 0.969 376 G HN 0.043 nan 8.290 nan 0.000 0.504 377 L N 0.482 121.678 121.223 -0.045 0.000 2.350 377 L HA 0.482 4.821 4.340 -0.002 0.000 0.275 377 L C 1.084 177.845 176.870 -0.180 0.000 1.099 377 L CA -0.816 53.956 54.840 -0.114 0.000 0.808 377 L CB 1.240 43.239 42.059 -0.101 0.000 1.149 377 L HN 0.584 nan 8.230 nan 0.000 0.442 378 A N 4.156 126.747 122.820 -0.383 0.000 2.498 378 A HA 0.355 4.674 4.320 -0.002 0.000 0.239 378 A C -2.208 175.204 177.584 -0.286 0.000 1.068 378 A CA -0.887 50.881 52.037 -0.447 0.000 0.766 378 A CB -0.636 17.757 19.000 -1.012 0.000 1.003 378 A HN 0.462 nan 8.150 nan 0.000 0.497 379 P HA 0.380 nan 4.420 nan 0.000 0.265 379 P C 0.507 177.799 177.300 -0.013 0.000 1.193 379 P CA 1.812 64.885 63.100 -0.045 0.000 0.765 379 P CB 0.459 32.163 31.700 0.008 0.000 0.823 380 G N 1.693 110.500 108.800 0.012 0.000 2.767 380 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.686 380 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.686 380 G C -0.841 174.134 174.900 0.124 0.000 1.213 380 G CA -0.918 44.222 45.100 0.066 0.000 0.803 380 G HN 0.419 nan 8.290 nan 0.000 0.603 381 K N 0.751 121.228 120.400 0.128 0.000 2.168 381 K HA 0.715 5.034 4.320 -0.002 0.000 0.258 381 K C 1.141 177.872 176.600 0.219 0.000 1.010 381 K CA 0.252 56.637 56.287 0.164 0.000 0.929 381 K CB 1.177 33.734 32.500 0.095 0.000 0.998 381 K HN 1.204 nan 8.250 nan 0.000 0.479 382 A N 1.159 124.109 122.820 0.216 0.000 2.267 382 A HA 0.141 4.460 4.320 -0.002 0.000 0.271 382 A C 1.300 178.895 177.584 0.018 0.000 1.131 382 A CA 0.033 52.093 52.037 0.039 0.000 0.818 382 A CB 0.142 19.091 19.000 -0.085 0.000 1.118 382 A HN 0.645 nan 8.150 nan 0.000 0.501 383 R N -0.155 120.327 120.500 -0.029 0.000 2.237 383 R HA -0.093 4.247 4.340 -0.002 0.000 0.219 383 R C 0.483 176.783 176.300 -0.000 0.000 1.080 383 R CA 1.884 57.977 56.100 -0.011 0.000 0.995 383 R CB -0.338 29.948 30.300 -0.024 0.000 0.875 383 R HN 0.824 nan 8.270 nan 0.000 0.462 384 D N -0.926 119.474 120.400 -0.001 0.000 2.336 384 D HA 0.005 4.645 4.640 -0.002 0.000 0.228 384 D C -0.250 176.062 176.300 0.021 0.000 1.120 384 D CA -0.182 53.822 54.000 0.008 0.000 0.839 384 D CB -0.209 40.593 40.800 0.002 0.000 0.932 384 D HN 0.140 nan 8.370 nan 0.000 0.509 385 R N -0.892 119.627 120.500 0.031 0.000 3.758 385 R HA -0.183 4.156 4.340 -0.002 0.000 0.299 385 R C -0.394 175.935 176.300 0.049 0.000 1.182 385 R CA 0.848 56.972 56.100 0.040 0.000 0.809 385 R CB -1.915 28.402 30.300 0.028 0.000 1.249 385 R HN 0.356 nan 8.270 nan 0.000 0.497 386 K N -0.010 120.428 120.400 0.063 0.000 2.340 386 K HA 0.707 5.026 4.320 -0.002 0.000 0.244 386 K C 0.062 176.736 176.600 0.124 0.000 0.973 386 K CA -0.280 56.051 56.287 0.072 0.000 0.828 386 K CB 1.899 34.433 32.500 0.057 0.000 1.226 386 K HN 0.119 nan 8.250 nan 0.000 0.437 387 A N 1.063 123.948 122.820 0.109 0.000 2.346 387 A HA 0.424 4.743 4.320 -0.002 0.000 0.252 387 A C -0.870 176.851 177.584 0.229 0.000 1.089 387 A CA 0.155 52.267 52.037 0.124 0.000 0.797 387 A CB -0.084 18.940 19.000 0.040 0.000 1.047 387 A HN 0.697 nan 8.150 nan 0.000 0.494 388 Y N -1.825 118.495 120.300 0.033 0.000 2.625 388 Y HA 0.698 5.247 4.550 -0.002 0.000 0.338 388 Y C -0.031 175.903 175.900 0.056 0.000 1.123 388 Y CA -0.652 57.478 58.100 0.049 0.000 1.046 388 Y CB 0.507 38.990 38.460 0.039 0.000 1.299 388 Y HN 0.761 nan 8.280 nan 0.000 0.464 389 T N -1.094 113.542 114.554 0.138 0.000 2.928 389 T HA 0.390 4.739 4.350 -0.002 0.000 0.284 389 T C 1.082 175.804 174.700 0.038 0.000 1.008 389 T CA -0.162 61.975 62.100 0.063 0.000 1.057 389 T CB 1.428 70.425 68.868 0.216 0.000 1.018 389 T HN 1.320 nan 8.240 nan 0.000 0.493 390 V N 0.185 120.106 119.914 0.011 0.000 2.548 390 V HA 0.216 4.335 4.120 -0.002 0.000 0.249 390 V C 0.857 177.020 176.094 0.115 0.000 1.055 390 V CA 0.702 63.033 62.300 0.052 0.000 1.065 390 V CB -1.038 30.868 31.823 0.138 0.000 0.681 390 V HN 0.727 nan 8.190 nan 0.000 0.462 391 L N 1.758 123.050 121.223 0.114 0.000 2.276 391 L HA 0.562 4.901 4.340 -0.002 0.000 0.286 391 L C -0.443 176.458 176.870 0.051 0.000 1.061 391 L CA -0.293 54.567 54.840 0.033 0.000 0.807 391 L CB 1.370 43.538 42.059 0.182 0.000 1.177 391 L HN 0.182 nan 8.230 nan 0.000 0.429 392 L N 3.418 124.563 121.223 -0.131 0.000 2.409 392 L HA 0.553 4.892 4.340 -0.002 0.000 0.255 392 L C -0.944 175.794 176.870 -0.219 0.000 1.027 392 L CA -0.682 54.135 54.840 -0.038 0.000 0.834 392 L CB 2.139 44.221 42.059 0.038 0.000 1.426 392 L HN 0.213 nan 8.230 nan 0.000 0.411 393 Y N -0.867 119.526 120.300 0.154 0.000 2.485 393 Y HA 0.507 5.057 4.550 -0.001 0.000 0.345 393 Y C 1.117 177.091 175.900 0.123 0.000 0.998 393 Y CA -0.113 58.084 58.100 0.162 0.000 1.059 393 Y CB 2.133 40.708 38.460 0.192 0.000 1.234 393 Y HN 0.677 nan 8.280 nan 0.000 0.461 394 G N 1.394 110.352 108.800 0.263 0.000 2.402 394 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.216 394 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.216 394 G C -0.031 174.978 174.900 0.181 0.000 1.162 394 G CA 0.956 46.161 45.100 0.176 0.000 0.777 394 G HN 0.713 nan 8.290 nan 0.000 0.539 395 N N -2.409 116.417 118.700 0.210 0.000 2.647 395 N HA 0.624 5.363 4.740 -0.002 0.000 0.266 395 N C -0.247 175.354 175.510 0.152 0.000 1.373 395 N CA -0.006 53.136 53.050 0.153 0.000 0.807 395 N CB 1.357 39.903 38.487 0.098 0.000 1.513 395 N HN 0.770 nan 8.380 nan 0.000 0.505 396 G N -1.313 107.547 108.800 0.100 0.000 2.334 396 G HA2 0.073 4.032 3.960 -0.002 0.000 0.315 396 G HA3 0.073 4.032 3.960 -0.002 0.000 0.315 396 G C -2.708 172.229 174.900 0.061 0.000 1.284 396 G CA -0.420 44.713 45.100 0.054 0.000 0.985 396 G HN 0.573 nan 8.290 nan 0.000 0.504 397 P HA 0.168 nan 4.420 nan 0.000 0.253 397 P C 1.333 178.653 177.300 0.034 0.000 1.260 397 P CA 1.267 64.387 63.100 0.033 0.000 0.800 397 P CB 0.246 31.951 31.700 0.008 0.000 1.162 398 G N -1.151 107.670 108.800 0.035 0.000 3.042 398 G HA2 -0.127 3.833 3.960 -0.002 0.000 0.212 398 G HA3 -0.127 3.833 3.960 -0.002 0.000 0.212 398 G C 0.026 174.973 174.900 0.080 0.000 1.166 398 G CA -0.157 44.952 45.100 0.014 0.000 0.767 398 G HN 0.221 nan 8.290 nan 0.000 0.546 399 Y N 1.650 121.968 120.300 0.031 0.000 2.677 399 Y HA 0.351 4.900 4.550 -0.001 0.000 0.335 399 Y C -0.428 175.491 175.900 0.031 0.000 1.162 399 Y CA -0.007 58.117 58.100 0.041 0.000 1.483 399 Y CB 0.510 38.994 38.460 0.041 0.000 1.209 399 Y HN -0.102 nan 8.280 nan 0.000 0.528 400 V N 8.029 127.759 119.914 -0.305 0.000 2.841 400 V HA 0.393 4.513 4.120 -0.002 0.000 0.310 400 V C -0.757 175.164 176.094 -0.289 0.000 1.090 400 V CA -1.161 61.042 62.300 -0.162 0.000 0.930 400 V CB 2.083 33.871 31.823 -0.058 0.000 1.014 400 V HN 0.583 nan 8.190 nan 0.000 0.425 401 L N 4.500 125.656 121.223 -0.111 0.000 2.342 401 L HA 0.547 4.886 4.340 -0.002 0.000 0.276 401 L C -0.126 176.737 176.870 -0.011 0.000 0.997 401 L CA -0.448 54.352 54.840 -0.066 0.000 0.838 401 L CB 1.502 43.564 42.059 0.004 0.000 1.224 401 L HN 0.499 nan 8.230 nan 0.000 0.416 402 K N 2.113 122.504 120.400 -0.014 0.000 2.211 402 K HA 0.139 4.458 4.320 -0.002 0.000 0.275 402 K C -0.407 176.197 176.600 0.007 0.000 1.024 402 K CA -0.816 55.474 56.287 0.004 0.000 0.887 402 K CB 1.235 33.740 32.500 0.008 0.000 1.084 402 K HN 0.470 nan 8.250 nan 0.000 0.463 403 D N 2.472 122.880 120.400 0.013 0.000 3.025 403 D HA -0.220 4.419 4.640 -0.002 0.000 0.201 403 D C 0.843 177.151 176.300 0.014 0.000 1.267 403 D CA 1.859 55.868 54.000 0.014 0.000 0.736 403 D CB -0.812 39.996 40.800 0.013 0.000 0.883 403 D HN 0.925 nan 8.370 nan 0.000 0.388 404 G N 0.005 108.815 108.800 0.017 0.000 2.148 404 G HA2 0.063 4.022 3.960 -0.002 0.000 0.254 404 G HA3 0.063 4.022 3.960 -0.002 0.000 0.254 404 G C 0.360 175.268 174.900 0.013 0.000 0.981 404 G CA 0.578 45.690 45.100 0.021 0.000 0.670 404 G HN 1.486 nan 8.290 nan 0.000 0.528 405 A N -1.176 121.643 122.820 -0.001 0.000 2.609 405 A HA 0.838 5.157 4.320 -0.002 0.000 0.291 405 A C 0.047 177.607 177.584 -0.040 0.000 1.096 405 A CA 0.135 52.164 52.037 -0.013 0.000 0.684 405 A CB 0.880 19.879 19.000 -0.002 0.000 1.282 405 A HN 0.870 nan 8.150 nan 0.000 0.412 406 R N 1.250 121.718 120.500 -0.054 0.000 2.484 406 R HA 0.286 4.625 4.340 -0.002 0.000 0.293 406 R C -2.277 174.007 176.300 -0.027 0.000 1.023 406 R CA -0.956 55.098 56.100 -0.076 0.000 1.037 406 R CB 0.279 30.541 30.300 -0.064 0.000 0.951 406 R HN 0.501 nan 8.270 nan 0.000 0.418 407 P HA 0.039 nan 4.420 nan 0.000 0.278 407 P C -0.849 176.476 177.300 0.042 0.000 1.238 407 P CA -0.338 62.772 63.100 0.016 0.000 0.794 407 P CB 0.815 32.530 31.700 0.025 0.000 0.955 408 D N 0.482 120.907 120.400 0.041 0.000 2.362 408 D HA 0.172 4.811 4.640 -0.002 0.000 0.238 408 D C -0.705 175.628 176.300 0.056 0.000 1.212 408 D CA 0.237 54.267 54.000 0.049 0.000 0.902 408 D CB 0.784 41.605 40.800 0.035 0.000 1.180 408 D HN 0.080 nan 8.370 nan 0.000 0.445 409 V N 0.726 120.668 119.914 0.047 0.000 2.932 409 V HA 0.578 4.697 4.120 -0.002 0.000 0.307 409 V C -0.463 175.616 176.094 -0.027 0.000 1.147 409 V CA -0.202 62.108 62.300 0.016 0.000 0.951 409 V CB 1.981 33.830 31.823 0.043 0.000 1.031 409 V HN 0.801 nan 8.190 nan 0.000 0.426 410 T N 1.666 116.182 114.554 -0.064 0.000 2.948 410 T HA 0.528 4.877 4.350 -0.002 0.000 0.285 410 T C 0.708 175.347 174.700 -0.101 0.000 1.019 410 T CA -0.402 61.660 62.100 -0.064 0.000 1.013 410 T CB 1.727 70.566 68.868 -0.047 0.000 1.117 410 T HN 0.683 nan 8.240 nan 0.000 0.533 411 E N 0.784 120.942 120.200 -0.070 0.000 2.077 411 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 411 E C 2.495 179.048 176.600 -0.079 0.000 0.989 411 E CA 1.778 58.139 56.400 -0.064 0.000 0.800 411 E CB -0.459 29.223 29.700 -0.031 0.000 0.746 411 E HN 0.835 nan 8.360 nan 0.000 0.452 412 S N 0.833 116.491 115.700 -0.070 0.000 2.368 412 S HA -0.213 4.256 4.470 -0.002 0.000 0.225 412 S C 2.050 176.581 174.600 -0.114 0.000 1.030 412 S CA 1.525 59.682 58.200 -0.071 0.000 0.999 412 S CB -0.260 62.910 63.200 -0.051 0.000 0.844 412 S HN 0.312 nan 8.310 nan 0.000 0.459 413 E N 1.768 121.880 120.200 -0.147 0.000 2.028 413 E HA -0.180 4.169 4.350 -0.002 0.000 0.191 413 E C 2.214 178.527 176.600 -0.479 0.000 0.988 413 E CA 1.525 57.795 56.400 -0.216 0.000 0.799 413 E CB -0.398 29.195 29.700 -0.178 0.000 0.755 413 E HN 0.742 nan 8.360 nan 0.000 0.447 414 S N -0.480 114.870 115.700 -0.583 0.000 2.419 414 S HA -0.097 4.372 4.470 -0.002 0.000 0.235 414 S C 1.940 176.373 174.600 -0.279 0.000 1.019 414 S CA 1.169 58.922 58.200 -0.746 0.000 0.982 414 S CB -0.444 62.554 63.200 -0.337 0.000 0.789 414 S HN 0.362 nan 8.310 nan 0.000 0.490 415 G N 0.644 109.350 108.800 -0.158 0.000 3.042 415 G HA2 0.217 4.177 3.960 -0.002 0.000 0.212 415 G HA3 0.217 4.177 3.960 -0.002 0.000 0.212 415 G C 0.337 175.099 174.900 -0.231 0.000 1.166 415 G CA 0.213 45.273 45.100 -0.067 0.000 0.767 415 G HN 0.592 nan 8.290 nan 0.000 0.546 416 S N 0.826 116.388 115.700 -0.229 0.000 2.564 416 S HA 0.291 4.761 4.470 -0.002 0.000 0.278 416 S C -0.967 173.343 174.600 -0.484 0.000 1.333 416 S CA -1.073 56.956 58.200 -0.285 0.000 1.048 416 S CB 1.601 64.724 63.200 -0.128 0.000 0.900 416 S HN -0.035 nan 8.310 nan 0.000 0.505 417 P HA 0.010 nan 4.420 nan 0.000 0.223 417 P C 0.316 177.408 177.300 -0.348 0.000 1.144 417 P CA 0.879 63.411 63.100 -0.945 0.000 0.783 417 P CB 0.111 31.354 31.700 -0.762 0.000 0.771 418 E N -2.830 117.258 120.200 -0.186 0.000 2.481 418 E HA 0.052 4.401 4.350 -0.002 0.000 0.198 418 E C 0.009 176.602 176.600 -0.010 0.000 1.027 418 E CA -0.359 55.999 56.400 -0.071 0.000 0.900 418 E CB -0.578 29.099 29.700 -0.038 0.000 0.993 418 E HN 0.248 nan 8.360 nan 0.000 0.482 419 Y N 1.794 122.028 120.300 -0.110 0.000 2.442 419 Y HA 0.146 4.696 4.550 -0.001 0.000 0.330 419 Y C -0.099 175.818 175.900 0.029 0.000 1.129 419 Y CA -0.305 57.774 58.100 -0.035 0.000 1.365 419 Y CB 0.435 38.876 38.460 -0.033 0.000 1.233 419 Y HN -0.211 nan 8.280 nan 0.000 0.529 420 R N 5.337 125.384 120.500 -0.755 0.000 2.229 420 R HA 0.219 4.558 4.340 -0.002 0.000 0.332 420 R C -0.567 175.265 176.300 -0.780 0.000 0.989 420 R CA -0.944 54.847 56.100 -0.515 0.000 0.842 420 R CB 1.097 31.228 30.300 -0.282 0.000 1.119 420 R HN 0.684 nan 8.270 nan 0.000 0.456 421 Q N 1.797 121.490 119.800 -0.178 0.000 2.421 421 Q HA 0.030 4.369 4.340 -0.002 0.000 0.255 421 Q C -0.063 176.040 176.000 0.172 0.000 1.013 421 Q CA 0.367 56.252 55.803 0.135 0.000 0.895 421 Q CB 0.614 29.629 28.738 0.461 0.000 1.271 421 Q HN 0.349 nan 8.270 nan 0.000 0.460 422 Q N 0.410 120.327 119.800 0.195 0.000 2.454 422 Q HA 0.350 4.689 4.340 -0.002 0.000 0.247 422 Q C -0.362 175.780 176.000 0.237 0.000 1.028 422 Q CA -0.026 55.876 55.803 0.165 0.000 0.910 422 Q CB 0.818 29.633 28.738 0.129 0.000 1.276 422 Q HN 0.762 nan 8.270 nan 0.000 0.489 423 S N -0.864 114.979 115.700 0.237 0.000 2.697 423 S HA 0.675 5.144 4.470 -0.002 0.000 0.289 423 S C -0.001 174.795 174.600 0.327 0.000 1.149 423 S CA -0.345 58.023 58.200 0.280 0.000 0.850 423 S CB 1.449 64.820 63.200 0.285 0.000 1.151 423 S HN 0.615 nan 8.310 nan 0.000 0.491 424 A N 0.033 123.010 122.820 0.262 0.000 2.081 424 A HA 0.560 4.879 4.320 -0.002 0.000 0.214 424 A C 0.354 178.047 177.584 0.181 0.000 1.158 424 A CA 0.533 52.717 52.037 0.245 0.000 0.724 424 A CB -0.266 18.813 19.000 0.132 0.000 0.826 424 A HN 0.947 nan 8.150 nan 0.000 0.463 425 V N 1.652 121.611 119.914 0.074 0.000 2.612 425 V HA 0.313 4.432 4.120 -0.002 0.000 0.301 425 V C -2.890 173.100 176.094 -0.172 0.000 1.059 425 V CA -1.880 60.318 62.300 -0.171 0.000 0.886 425 V CB 2.247 34.029 31.823 -0.068 0.000 1.007 425 V HN 0.172 nan 8.190 nan 0.000 0.426 426 P HA 0.342 nan 4.420 nan 0.000 0.271 426 P C -1.105 176.153 177.300 -0.070 0.000 1.233 426 P CA 0.164 63.170 63.100 -0.156 0.000 0.764 426 P CB 0.930 32.492 31.700 -0.229 0.000 0.825 427 L N 2.751 123.973 121.223 -0.002 0.000 2.409 427 L HA 0.309 4.648 4.340 -0.002 0.000 0.262 427 L C 1.215 178.097 176.870 0.019 0.000 0.992 427 L CA -0.814 54.028 54.840 0.004 0.000 0.817 427 L CB 2.062 44.132 42.059 0.017 0.000 1.350 427 L HN 0.128 nan 8.230 nan 0.000 0.411 428 D N 0.652 121.059 120.400 0.012 0.000 2.158 428 D HA -0.109 4.530 4.640 -0.002 0.000 0.197 428 D C 0.077 176.389 176.300 0.021 0.000 0.995 428 D CA 1.638 55.646 54.000 0.013 0.000 0.846 428 D CB 0.423 41.226 40.800 0.005 0.000 0.941 428 D HN 0.475 nan 8.370 nan 0.000 0.456 429 E N 0.620 120.838 120.200 0.030 0.000 2.234 429 E HA 0.140 4.489 4.350 -0.002 0.000 0.266 429 E C -0.262 176.415 176.600 0.129 0.000 0.877 429 E CA -0.595 55.850 56.400 0.075 0.000 0.758 429 E CB 2.453 32.164 29.700 0.019 0.000 1.170 429 E HN 0.003 nan 8.360 nan 0.000 0.415 430 E N 1.938 122.236 120.200 0.163 0.000 2.418 430 E HA 0.025 4.374 4.350 -0.002 0.000 0.261 430 E C -0.783 176.021 176.600 0.340 0.000 1.070 430 E CA 0.526 57.031 56.400 0.175 0.000 0.931 430 E CB 1.086 30.795 29.700 0.015 0.000 0.954 430 E HN 0.298 nan 8.360 nan 0.000 0.439 431 T N 2.657 117.364 114.554 0.256 0.000 2.902 431 T HA 0.242 4.591 4.350 -0.002 0.000 0.283 431 T C -0.402 174.426 174.700 0.214 0.000 1.009 431 T CA -0.365 61.852 62.100 0.196 0.000 1.051 431 T CB 0.333 69.270 68.868 0.116 0.000 0.999 431 T HN 0.407 nan 8.240 nan 0.000 0.474 432 H N 0.371 119.444 119.070 0.004 0.000 2.895 432 H HA 0.393 4.948 4.556 -0.001 0.000 0.371 432 H C 0.356 175.645 175.328 -0.066 0.000 1.219 432 H CA -0.507 55.383 56.048 -0.263 0.000 1.431 432 H CB 0.474 29.996 29.762 -0.400 0.000 1.414 432 H HN 0.642 nan 8.280 nan 0.000 0.617 433 A N 0.391 123.272 122.820 0.103 0.000 2.384 433 A HA 0.517 4.836 4.320 -0.002 0.000 0.312 433 A C 1.050 178.713 177.584 0.132 0.000 1.113 433 A CA -0.151 51.960 52.037 0.124 0.000 0.779 433 A CB 1.278 20.356 19.000 0.130 0.000 1.307 433 A HN 0.845 nan 8.150 nan 0.000 0.436 434 G N 0.101 108.973 108.800 0.121 0.000 3.126 434 G HA2 0.268 4.227 3.960 -0.002 0.000 0.224 434 G HA3 0.268 4.227 3.960 -0.002 0.000 0.224 434 G C 0.413 175.379 174.900 0.110 0.000 1.142 434 G CA 0.338 45.517 45.100 0.132 0.000 0.759 434 G HN 0.802 nan 8.290 nan 0.000 0.550 435 E N 1.577 121.832 120.200 0.092 0.000 2.371 435 E HA 0.077 4.426 4.350 -0.002 0.000 0.257 435 E C -1.069 175.576 176.600 0.075 0.000 1.134 435 E CA -0.483 55.958 56.400 0.069 0.000 0.919 435 E CB 0.699 30.432 29.700 0.055 0.000 1.025 435 E HN -0.044 nan 8.360 nan 0.000 0.438 436 D N 0.634 121.067 120.400 0.055 0.000 2.449 436 D HA 0.135 4.774 4.640 -0.002 0.000 0.236 436 D C 0.264 176.585 176.300 0.036 0.000 1.149 436 D CA 0.058 54.085 54.000 0.044 0.000 0.878 436 D CB 0.819 41.629 40.800 0.018 0.000 1.198 436 D HN 0.410 nan 8.370 nan 0.000 0.446 437 V N -1.855 118.074 119.914 0.025 0.000 2.994 437 V HA 0.851 4.970 4.120 -0.002 0.000 0.318 437 V C -0.001 176.068 176.094 -0.041 0.000 1.085 437 V CA -1.224 61.082 62.300 0.010 0.000 0.998 437 V CB 1.498 33.329 31.823 0.014 0.000 1.063 437 V HN 0.590 nan 8.190 nan 0.000 0.447 438 A N 1.604 124.375 122.820 -0.081 0.000 2.351 438 A HA 0.727 5.047 4.320 -0.002 0.000 0.257 438 A C -0.236 177.215 177.584 -0.222 0.000 1.087 438 A CA -0.430 51.453 52.037 -0.257 0.000 0.798 438 A CB 0.698 19.381 19.000 -0.528 0.000 1.033 438 A HN 1.386 nan 8.150 nan 0.000 0.488 439 V N 1.964 121.711 119.914 -0.278 0.000 2.444 439 V HA 0.471 4.590 4.120 -0.002 0.000 0.294 439 V C -1.080 174.882 176.094 -0.220 0.000 1.022 439 V CA -0.211 62.023 62.300 -0.110 0.000 0.850 439 V CB 0.807 32.649 31.823 0.032 0.000 0.992 439 V HN 0.670 nan 8.190 nan 0.000 0.426 440 F N 2.679 122.660 119.950 0.050 0.000 2.450 440 F HA 0.873 5.399 4.527 -0.002 0.000 0.332 440 F C 0.443 176.419 175.800 0.293 0.000 1.093 440 F CA -0.621 57.429 58.000 0.083 0.000 1.003 440 F CB 1.969 40.832 39.000 -0.228 0.000 1.151 440 F HN 0.584 nan 8.300 nan 0.000 0.474 441 A N 3.369 126.602 122.820 0.688 0.000 2.488 441 A HA 0.901 5.220 4.320 -0.002 0.000 0.298 441 A C -1.017 176.897 177.584 0.551 0.000 1.044 441 A CA -0.923 51.498 52.037 0.639 0.000 0.693 441 A CB 1.864 21.126 19.000 0.436 0.000 1.272 441 A HN 0.927 nan 8.150 nan 0.000 0.402 442 R N 1.186 121.864 120.500 0.297 0.000 2.740 442 R HA 0.862 5.201 4.340 -0.002 0.000 0.273 442 R C 0.162 176.505 176.300 0.073 0.000 0.998 442 R CA -0.074 56.059 56.100 0.055 0.000 0.900 442 R CB 1.429 31.477 30.300 -0.421 0.000 1.223 442 R HN 2.549 nan 8.270 nan 0.000 0.466 443 G N 0.913 109.765 108.800 0.087 0.000 2.483 443 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.521 443 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.521 443 G C -2.912 172.054 174.900 0.110 0.000 1.278 443 G CA -0.925 44.216 45.100 0.068 0.000 0.965 443 G HN 0.541 nan 8.290 nan 0.000 0.504 444 P HA 0.338 nan 4.420 nan 0.000 0.267 444 P C 0.119 177.483 177.300 0.106 0.000 1.209 444 P CA 0.759 63.910 63.100 0.085 0.000 0.763 444 P CB 0.797 32.517 31.700 0.034 0.000 0.816 445 Q N 1.414 121.316 119.800 0.171 0.000 2.374 445 Q HA -0.273 4.066 4.340 -0.002 0.000 0.218 445 Q C 1.313 177.282 176.000 -0.051 0.000 0.691 445 Q CA 1.499 57.363 55.803 0.101 0.000 1.340 445 Q CB -2.810 26.015 28.738 0.146 0.000 1.498 445 Q HN 0.624 nan 8.270 nan 0.000 0.739 446 A N 1.129 123.985 122.820 0.060 0.000 1.978 446 A HA -0.231 4.088 4.320 -0.002 0.000 0.220 446 A C 1.795 179.181 177.584 -0.330 0.000 1.170 446 A CA 1.845 53.917 52.037 0.059 0.000 0.636 446 A CB -0.941 18.246 19.000 0.311 0.000 0.810 446 A HN 0.721 nan 8.150 nan 0.000 0.448 447 H N -0.158 118.470 119.070 -0.737 0.000 2.489 447 H HA -0.049 4.506 4.556 -0.001 0.000 0.295 447 H C 1.605 176.686 175.328 -0.413 0.000 1.082 447 H CA 1.418 56.770 56.048 -1.159 0.000 1.295 447 H CB -0.749 28.598 29.762 -0.692 0.000 1.380 447 H HN 0.475 nan 8.280 nan 0.000 0.548 448 L N 1.248 122.043 121.223 -0.714 0.000 2.275 448 L HA -0.014 4.325 4.340 -0.002 0.000 0.215 448 L C 0.724 177.707 176.870 0.189 0.000 1.119 448 L CA 0.119 54.804 54.840 -0.258 0.000 0.790 448 L CB -0.054 41.860 42.059 -0.243 0.000 0.919 448 L HN 0.025 nan 8.230 nan 0.000 0.443 449 V N 2.442 122.439 119.914 0.137 0.000 2.381 449 V HA 0.075 4.194 4.120 -0.002 0.000 0.257 449 V C 0.035 176.223 176.094 0.157 0.000 1.057 449 V CA -0.026 62.418 62.300 0.240 0.000 1.013 449 V CB -0.716 31.257 31.823 0.250 0.000 1.069 449 V HN 0.338 nan 8.190 nan 0.000 0.484 450 H N 3.140 122.157 119.070 -0.087 0.000 3.042 450 H HA 0.627 5.182 4.556 -0.001 0.000 0.346 450 H C 0.186 175.418 175.328 -0.159 0.000 1.294 450 H CA -0.061 55.938 56.048 -0.082 0.000 1.141 450 H CB 1.583 31.306 29.762 -0.066 0.000 1.872 450 H HN 0.854 nan 8.280 nan 0.000 0.541 451 G N 0.253 108.924 108.800 -0.215 0.000 2.564 451 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.273 451 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.273 451 G C -0.993 173.743 174.900 -0.272 0.000 1.242 451 G CA 0.202 45.146 45.100 -0.261 0.000 0.951 451 G HN 0.861 nan 8.290 nan 0.000 0.564 452 V N 2.099 121.855 119.914 -0.264 0.000 2.384 452 V HA 0.659 4.778 4.120 -0.002 0.000 0.287 452 V C -0.105 175.841 176.094 -0.246 0.000 1.020 452 V CA -0.514 61.671 62.300 -0.192 0.000 0.850 452 V CB 1.419 33.178 31.823 -0.108 0.000 0.987 452 V HN 0.737 nan 8.190 nan 0.000 0.436 453 Q N 2.183 121.847 119.800 -0.227 0.000 2.433 453 Q HA 0.507 4.846 4.340 -0.002 0.000 0.279 453 Q C -0.631 175.334 176.000 -0.059 0.000 1.105 453 Q CA -0.874 54.786 55.803 -0.239 0.000 0.815 453 Q CB 2.521 30.989 28.738 -0.451 0.000 1.403 453 Q HN 0.627 nan 8.270 nan 0.000 0.435 454 E N 1.356 121.557 120.200 0.001 0.000 2.415 454 E HA -0.076 4.274 4.350 -0.002 0.000 0.262 454 E C 0.660 177.319 176.600 0.099 0.000 1.038 454 E CA 0.165 56.593 56.400 0.048 0.000 0.921 454 E CB 0.807 30.538 29.700 0.053 0.000 0.950 454 E HN 0.594 nan 8.360 nan 0.000 0.438 455 Q N 1.516 121.360 119.800 0.072 0.000 2.170 455 Q HA -0.166 4.173 4.340 -0.002 0.000 0.203 455 Q C 1.631 177.759 176.000 0.214 0.000 0.976 455 Q CA 2.017 57.906 55.803 0.143 0.000 0.858 455 Q CB -0.007 28.806 28.738 0.126 0.000 0.907 455 Q HN 0.739 nan 8.270 nan 0.000 0.433 456 T N -1.414 113.246 114.554 0.177 0.000 2.778 456 T HA -0.224 4.125 4.350 -0.002 0.000 0.269 456 T C 1.409 176.310 174.700 0.335 0.000 1.050 456 T CA 1.148 63.389 62.100 0.235 0.000 1.137 456 T CB -0.691 68.294 68.868 0.196 0.000 0.860 456 T HN 0.376 nan 8.240 nan 0.000 0.468 457 F N 1.876 121.912 119.950 0.143 0.000 2.154 457 F HA -0.037 4.489 4.527 -0.002 0.000 0.301 457 F C 1.911 177.816 175.800 0.176 0.000 1.087 457 F CA 0.739 58.816 58.000 0.127 0.000 1.274 457 F CB -0.446 38.574 39.000 0.033 0.000 1.009 457 F HN 0.119 nan 8.300 nan 0.000 0.485 458 I N -0.062 120.686 120.570 0.297 0.000 2.163 458 I HA -0.367 3.802 4.170 -0.002 0.000 0.243 458 I C 2.683 178.903 176.117 0.172 0.000 1.085 458 I CA 1.437 62.879 61.300 0.237 0.000 1.347 458 I CB -0.918 37.258 38.000 0.294 0.000 1.044 458 I HN 0.211 nan 8.210 nan 0.000 0.408 459 A N -0.205 122.727 122.820 0.188 0.000 1.877 459 A HA -0.230 4.089 4.320 -0.002 0.000 0.216 459 A C 2.261 179.867 177.584 0.036 0.000 1.186 459 A CA 1.557 53.663 52.037 0.115 0.000 0.620 459 A CB -0.963 18.061 19.000 0.039 0.000 0.822 459 A HN 0.450 nan 8.150 nan 0.000 0.443 460 H N -1.435 117.640 119.070 0.009 0.000 2.389 460 H HA -0.078 4.477 4.556 -0.002 0.000 0.299 460 H C 2.316 177.547 175.328 -0.161 0.000 1.081 460 H CA 1.643 57.699 56.048 0.014 0.000 1.345 460 H CB -0.354 29.384 29.762 -0.038 0.000 1.393 460 H HN 0.327 nan 8.280 nan 0.000 0.520 461 V N 1.137 120.880 119.914 -0.284 0.000 2.427 461 V HA -0.232 3.887 4.120 -0.002 0.000 0.248 461 V C 2.288 178.388 176.094 0.009 0.000 1.051 461 V CA 1.301 63.435 62.300 -0.277 0.000 1.048 461 V CB -0.328 31.246 31.823 -0.414 0.000 0.666 461 V HN 0.305 nan 8.190 nan 0.000 0.456 462 M N -0.466 119.168 119.600 0.058 0.000 2.099 462 M HA -0.068 4.411 4.480 -0.002 0.000 0.262 462 M C 2.367 178.748 176.300 0.135 0.000 1.067 462 M CA 2.008 57.380 55.300 0.121 0.000 1.124 462 M CB -0.585 32.129 32.600 0.191 0.000 1.353 462 M HN 0.443 nan 8.290 nan 0.000 0.410 463 A N 0.305 123.217 122.820 0.154 0.000 1.877 463 A HA -0.213 4.107 4.320 -0.002 0.000 0.216 463 A C 2.015 179.740 177.584 0.235 0.000 1.186 463 A CA 1.553 53.705 52.037 0.191 0.000 0.620 463 A CB -1.076 18.055 19.000 0.217 0.000 0.822 463 A HN 0.531 nan 8.150 nan 0.000 0.443 464 F N 1.146 121.128 119.950 0.053 0.000 2.095 464 F HA -0.110 4.416 4.527 -0.002 0.000 0.298 464 F C 2.473 178.244 175.800 -0.048 0.000 1.104 464 F CA 1.423 59.348 58.000 -0.125 0.000 1.232 464 F CB -0.518 38.174 39.000 -0.513 0.000 0.987 464 F HN 0.238 nan 8.300 nan 0.000 0.475 465 A N 0.168 122.940 122.820 -0.081 0.000 1.972 465 A HA 0.014 4.334 4.320 -0.002 0.000 0.219 465 A C 2.181 179.657 177.584 -0.180 0.000 1.169 465 A CA 1.595 53.543 52.037 -0.148 0.000 0.635 465 A CB -1.421 17.594 19.000 0.026 0.000 0.810 465 A HN 0.528 nan 8.150 nan 0.000 0.446 466 A N -2.421 120.341 122.820 -0.096 0.000 2.275 466 A HA 0.364 4.684 4.320 -0.002 0.000 0.212 466 A C 1.042 178.580 177.584 -0.077 0.000 1.201 466 A CA 0.588 52.587 52.037 -0.064 0.000 0.843 466 A CB -1.092 17.911 19.000 0.005 0.000 0.873 466 A HN 1.029 nan 8.150 nan 0.000 0.492 467 c N -0.797 117.723 118.600 -0.134 0.000 4.350 467 c HA -0.138 4.431 4.570 -0.002 0.000 0.302 467 c C 0.668 174.757 174.090 -0.002 0.000 1.390 467 c CA 0.195 56.469 56.329 -0.092 0.000 2.016 467 c CB -3.246 39.199 42.510 -0.108 0.000 1.271 467 c HN 0.574 nan 8.230 nan 0.000 0.760 468 L N -0.312 120.936 121.223 0.042 0.000 2.397 468 L HA 0.815 5.154 4.340 -0.002 0.000 0.266 468 L C 1.129 178.025 176.870 0.042 0.000 1.040 468 L CA 0.669 55.533 54.840 0.039 0.000 0.800 468 L CB 0.293 42.375 42.059 0.039 0.000 1.324 468 L HN 0.647 nan 8.230 nan 0.000 0.469 469 E N 0.048 120.236 120.200 -0.020 0.000 3.143 469 E HA -0.226 4.123 4.350 -0.002 0.000 0.257 469 E C -2.135 174.363 176.600 -0.170 0.000 1.397 469 E CA 0.515 56.862 56.400 -0.088 0.000 1.881 469 E CB -3.072 26.582 29.700 -0.076 0.000 2.023 469 E HN 0.653 nan 8.360 nan 0.000 0.533 470 P HA 0.213 nan 4.420 nan 0.000 0.255 470 P C -0.071 176.934 177.300 -0.491 0.000 1.301 470 P CA 1.169 64.001 63.100 -0.447 0.000 0.817 470 P CB -0.513 30.866 31.700 -0.534 0.000 1.259 471 Y N -0.237 120.109 120.300 0.076 0.000 2.736 471 Y HA 0.131 4.681 4.550 -0.001 0.000 0.293 471 Y C 2.023 177.938 175.900 0.024 0.000 1.062 471 Y CA -0.354 57.809 58.100 0.104 0.000 1.247 471 Y CB -0.251 38.337 38.460 0.213 0.000 1.200 471 Y HN -0.073 nan 8.280 nan 0.000 0.552 472 T N -2.494 112.111 114.554 0.085 0.000 2.833 472 T HA -0.147 4.203 4.350 -0.002 0.000 0.269 472 T C 1.575 176.302 174.700 0.045 0.000 1.054 472 T CA 1.017 63.142 62.100 0.041 0.000 1.135 472 T CB -0.065 68.812 68.868 0.014 0.000 0.869 472 T HN 0.371 nan 8.240 nan 0.000 0.466 473 A N 1.591 124.458 122.820 0.078 0.000 2.840 473 A HA 0.470 4.789 4.320 -0.002 0.000 0.269 473 A C 1.178 178.835 177.584 0.122 0.000 1.439 473 A CA -0.533 51.553 52.037 0.082 0.000 1.083 473 A CB -1.862 17.188 19.000 0.083 0.000 1.019 473 A HN 0.844 nan 8.150 nan 0.000 0.607 474 c N -1.010 117.638 118.600 0.080 0.000 2.745 474 c HA 0.288 4.858 4.570 -0.002 0.000 0.387 474 c C 0.592 174.698 174.090 0.028 0.000 1.312 474 c CA -0.379 55.956 56.329 0.010 0.000 2.204 474 c CB 0.290 42.576 42.510 -0.374 0.000 2.686 474 c HN 0.603 nan 8.230 nan 0.000 0.705 475 D N 1.054 121.496 120.400 0.070 0.000 3.035 475 D HA 0.327 4.966 4.640 -0.002 0.000 0.290 475 D C -0.542 175.775 176.300 0.028 0.000 1.360 475 D CA -0.064 53.970 54.000 0.058 0.000 0.862 475 D CB 0.202 41.056 40.800 0.091 0.000 1.078 475 D HN 0.384 nan 8.370 nan 0.000 0.487 476 L N 0.852 122.055 121.223 -0.033 0.000 2.334 476 L HA 0.522 4.861 4.340 -0.002 0.000 0.275 476 L C 0.774 177.625 176.870 -0.031 0.000 1.036 476 L CA -1.091 53.724 54.840 -0.043 0.000 0.807 476 L CB 1.236 43.215 42.059 -0.133 0.000 1.231 476 L HN -0.017 nan 8.230 nan 0.000 0.438 477 A N 4.190 127.001 122.820 -0.014 0.000 2.406 477 A HA 0.565 4.884 4.320 -0.002 0.000 0.243 477 A C -2.221 175.350 177.584 -0.022 0.000 1.082 477 A CA -0.905 51.125 52.037 -0.011 0.000 0.786 477 A CB -0.733 18.265 19.000 -0.002 0.000 1.029 477 A HN 0.589 nan 8.150 nan 0.000 0.495 478 P HA 0.160 nan 4.420 nan 0.000 0.266 478 P C -2.403 174.886 177.300 -0.019 0.000 1.193 478 P CA -0.537 62.552 63.100 -0.019 0.000 0.770 478 P CB -0.411 31.282 31.700 -0.011 0.000 0.836 479 P HA -0.091 nan 4.420 nan 0.000 0.264 479 P C -1.586 175.707 177.300 -0.012 0.000 1.179 479 P CA 0.490 63.577 63.100 -0.022 0.000 0.763 479 P CB 0.499 32.182 31.700 -0.029 0.000 0.806 480 A N 0.000 122.815 122.820 -0.008 0.000 2.254 480 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 480 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 480 A CB 0.000 19.000 19.000 0.000 0.000 0.831 480 A HN 0.000 nan 8.150 nan 0.000 0.486