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 2y42_1_C DATA FIRST_RESID 0 DATA SEQUENCE SMKVAVLPGD GIGPEVTEAA LKVLRALDEA EGLGLAYEVF PFGGAAIDAF DATA SEQUENCE GEPFPEPTRK GVEEAEAVLL GSVGGPKWDG LPRKIRPETG LLSLRKSQDL DATA SEQUENCE FANLRPAKVF PGLERLSPLK EEIARGVDVL IVRELTGGIY FGEPRGMSEA DATA SEQUENCE EAWNTERYSK PEVERVARVA FEAARKRRKH VVSVDKANVL EVGEFWRKTV DATA SEQUENCE EEVGRGYPDV ALEHQYVDAM AMHLVRSPAR FDVVVTGNIF GDILSDLASV DATA SEQUENCE LPGSLGLLPS ASLGRGTPVF EPVHGSAPDI AGKGIANPTA AILSAAMMLE DATA SEQUENCE HAFGLVELAR KVEDAVAKAL LETPPPDLGG SAGTEAFTAT VLRHLAAAAL DATA SEQUENCE EH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.600 174.600 -0.000 0.000 1.055 0 S CA 0.000 58.223 58.200 0.038 0.000 1.107 0 S CB 0.000 63.202 63.200 0.004 0.000 0.593 1 M N 2.476 122.043 119.600 -0.055 0.000 2.151 1 M HA 0.361 4.840 4.480 -0.001 0.000 0.229 1 M C -1.789 174.496 176.300 -0.025 0.000 1.029 1 M CA -0.132 55.029 55.300 -0.232 0.000 0.765 1 M CB 1.048 33.281 32.600 -0.612 0.000 1.969 1 M HN 0.216 nan 8.290 nan 0.000 0.352 2 K N 2.940 123.451 120.400 0.186 0.000 2.234 2 K HA 0.645 4.965 4.320 -0.001 0.000 0.277 2 K C -1.598 175.165 176.600 0.272 0.000 1.038 2 K CA -0.406 55.997 56.287 0.194 0.000 0.888 2 K CB 1.216 33.817 32.500 0.167 0.000 1.091 2 K HN 0.462 nan 8.250 nan 0.000 0.467 3 V N 2.887 122.949 119.914 0.247 0.000 2.638 3 V HA 0.513 4.632 4.120 -0.001 0.000 0.306 3 V C -0.668 175.598 176.094 0.285 0.000 1.052 3 V CA -1.083 61.378 62.300 0.269 0.000 0.885 3 V CB 1.656 33.620 31.823 0.236 0.000 0.999 3 V HN 0.903 nan 8.190 nan 0.000 0.424 4 A N 4.415 127.394 122.820 0.264 0.000 2.260 4 A HA 0.788 5.107 4.320 -0.001 0.000 0.314 4 A C -0.622 177.130 177.584 0.280 0.000 1.257 4 A CA -0.442 51.804 52.037 0.347 0.000 0.871 4 A CB 0.923 20.034 19.000 0.184 0.000 1.166 4 A HN 0.717 nan 8.150 nan 0.000 0.522 5 V N 3.963 124.076 119.914 0.332 0.000 2.347 5 V HA 0.354 4.473 4.120 -0.001 0.000 0.280 5 V C -0.760 175.467 176.094 0.223 0.000 1.021 5 V CA -0.241 62.183 62.300 0.207 0.000 0.847 5 V CB 1.022 32.937 31.823 0.153 0.000 0.990 5 V HN 0.687 nan 8.190 nan 0.000 0.444 6 L N 8.816 130.121 121.223 0.138 0.000 2.495 6 L HA 0.420 4.759 4.340 -0.001 0.000 0.248 6 L C -1.440 175.514 176.870 0.140 0.000 1.229 6 L CA -1.228 53.692 54.840 0.134 0.000 0.942 6 L CB 1.464 43.471 42.059 -0.086 0.000 1.242 6 L HN 0.365 nan 8.230 nan 0.000 0.484 7 P HA 0.028 nan 4.420 nan 0.000 0.217 7 P C 0.959 178.336 177.300 0.128 0.000 1.151 7 P CA 1.400 64.570 63.100 0.117 0.000 0.828 7 P CB 0.754 32.513 31.700 0.097 0.000 0.788 8 G N 0.617 109.500 108.800 0.138 0.000 2.509 8 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.256 8 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.256 8 G C -0.989 173.925 174.900 0.023 0.000 1.152 8 G CA 0.220 45.369 45.100 0.082 0.000 0.951 8 G HN 0.307 nan 8.290 nan 0.000 0.559 9 D N 1.138 121.544 120.400 0.010 0.000 2.392 9 D HA 0.577 5.217 4.640 -0.001 0.000 0.246 9 D C 1.167 177.541 176.300 0.123 0.000 1.013 9 D CA 1.007 55.036 54.000 0.047 0.000 0.993 9 D CB 0.830 41.627 40.800 -0.006 0.000 1.219 9 D HN 1.869 nan 8.370 nan 0.000 0.538 10 G N 0.915 109.816 108.800 0.170 0.000 2.596 10 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.304 10 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.304 10 G C 1.003 175.965 174.900 0.103 0.000 1.189 10 G CA 0.648 45.832 45.100 0.141 0.000 0.986 10 G HN 0.726 nan 8.290 nan 0.000 0.548 11 I N 0.346 120.970 120.570 0.089 0.000 3.564 11 I HA 0.417 4.586 4.170 -0.001 0.000 0.294 11 I C 2.351 178.531 176.117 0.105 0.000 1.289 11 I CA 1.332 62.675 61.300 0.072 0.000 1.325 11 I CB -0.647 37.367 38.000 0.023 0.000 1.039 11 I HN 0.683 nan 8.210 nan 0.000 0.474 12 G N 2.805 111.680 108.800 0.124 0.000 2.553 12 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 12 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 12 G C -0.437 174.524 174.900 0.101 0.000 1.195 12 G CA 1.423 46.597 45.100 0.125 0.000 0.779 12 G HN 0.380 nan 8.290 nan 0.000 0.577 13 P HA -0.030 nan 4.420 nan 0.000 0.215 13 P C 1.663 179.003 177.300 0.066 0.000 1.157 13 P CA 1.526 64.671 63.100 0.075 0.000 0.868 13 P CB -0.073 31.671 31.700 0.073 0.000 0.788 14 E N -0.437 119.803 120.200 0.065 0.000 2.055 14 E HA -0.223 4.127 4.350 -0.001 0.000 0.209 14 E C 1.979 178.616 176.600 0.062 0.000 1.036 14 E CA 2.229 58.663 56.400 0.057 0.000 0.849 14 E CB -1.024 28.706 29.700 0.049 0.000 0.767 14 E HN 0.166 nan 8.360 nan 0.000 0.461 15 V N -0.942 119.020 119.914 0.080 0.000 2.427 15 V HA -0.191 3.928 4.120 -0.001 0.000 0.248 15 V C 2.126 178.266 176.094 0.076 0.000 1.051 15 V CA 2.135 64.492 62.300 0.094 0.000 1.048 15 V CB -1.030 30.884 31.823 0.151 0.000 0.666 15 V HN 0.163 nan 8.190 nan 0.000 0.456 16 T N 0.759 115.353 114.554 0.067 0.000 2.746 16 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 16 T C 1.836 176.540 174.700 0.007 0.000 1.039 16 T CA 2.164 64.287 62.100 0.038 0.000 1.142 16 T CB -0.359 68.536 68.868 0.046 0.000 0.866 16 T HN 0.699 nan 8.240 nan 0.000 0.444 17 E N 1.768 121.978 120.200 0.017 0.000 2.077 17 E HA -0.038 4.312 4.350 -0.001 0.000 0.193 17 E C 2.207 178.806 176.600 -0.002 0.000 0.989 17 E CA 1.445 57.844 56.400 -0.001 0.000 0.800 17 E CB -0.675 29.037 29.700 0.020 0.000 0.746 17 E HN 0.421 nan 8.360 nan 0.000 0.452 18 A N 1.175 124.011 122.820 0.026 0.000 1.865 18 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 18 A C 2.541 180.136 177.584 0.019 0.000 1.191 18 A CA 2.586 54.646 52.037 0.039 0.000 0.623 18 A CB -1.349 17.699 19.000 0.080 0.000 0.826 18 A HN 0.431 nan 8.150 nan 0.000 0.444 19 A N -0.261 122.569 122.820 0.017 0.000 1.903 19 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 19 A C 2.204 179.753 177.584 -0.059 0.000 1.191 19 A CA 1.789 53.822 52.037 -0.007 0.000 0.638 19 A CB -0.748 18.252 19.000 0.000 0.000 0.823 19 A HN 0.511 nan 8.150 nan 0.000 0.451 20 L N -1.082 120.080 121.223 -0.101 0.000 2.083 20 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 20 L C 2.601 179.396 176.870 -0.124 0.000 1.083 20 L CA 1.802 56.526 54.840 -0.194 0.000 0.752 20 L CB -0.486 41.390 42.059 -0.306 0.000 0.899 20 L HN 0.411 nan 8.230 nan 0.000 0.433 21 K N -0.429 119.931 120.400 -0.066 0.000 2.103 21 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 21 K C 1.987 178.565 176.600 -0.038 0.000 1.048 21 K CA 1.202 57.467 56.287 -0.037 0.000 0.930 21 K CB -0.144 32.346 32.500 -0.017 0.000 0.716 21 K HN 0.148 nan 8.250 nan 0.000 0.444 22 V N 1.594 121.484 119.914 -0.040 0.000 2.307 22 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 22 V C 2.185 178.251 176.094 -0.047 0.000 1.045 22 V CA 1.492 63.769 62.300 -0.037 0.000 1.024 22 V CB -0.395 31.412 31.823 -0.028 0.000 0.651 22 V HN 0.262 nan 8.190 nan 0.000 0.449 23 L N -0.548 120.634 121.223 -0.067 0.000 2.046 23 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 23 L C 2.808 179.646 176.870 -0.054 0.000 1.077 23 L CA 1.701 56.495 54.840 -0.077 0.000 0.747 23 L CB -0.579 41.413 42.059 -0.112 0.000 0.896 23 L HN 0.232 nan 8.230 nan 0.000 0.432 24 R N -0.283 120.190 120.500 -0.044 0.000 2.075 24 R HA -0.096 4.243 4.340 -0.001 0.000 0.232 24 R C 2.434 178.727 176.300 -0.012 0.000 1.126 24 R CA 1.223 57.319 56.100 -0.007 0.000 0.963 24 R CB -0.420 29.888 30.300 0.014 0.000 0.858 24 R HN 0.346 nan 8.270 nan 0.000 0.435 25 A N 1.119 123.926 122.820 -0.021 0.000 1.933 25 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 25 A C 2.131 179.701 177.584 -0.023 0.000 1.175 25 A CA 1.133 53.157 52.037 -0.021 0.000 0.628 25 A CB -0.417 18.569 19.000 -0.024 0.000 0.814 25 A HN 0.168 nan 8.150 nan 0.000 0.444 26 L N -0.864 120.340 121.223 -0.031 0.000 2.072 26 L HA -0.152 4.187 4.340 -0.001 0.000 0.205 26 L C 2.408 179.256 176.870 -0.037 0.000 1.079 26 L CA 1.509 56.328 54.840 -0.035 0.000 0.752 26 L CB -0.596 41.435 42.059 -0.046 0.000 0.906 26 L HN 0.388 nan 8.230 nan 0.000 0.436 27 D N 0.411 120.789 120.400 -0.038 0.000 2.106 27 D HA -0.301 4.338 4.640 -0.001 0.000 0.191 27 D C 2.072 178.359 176.300 -0.022 0.000 0.997 27 D CA 1.777 55.757 54.000 -0.033 0.000 0.834 27 D CB 0.092 40.882 40.800 -0.017 0.000 0.956 27 D HN 0.312 nan 8.370 nan 0.000 0.448 28 E N -0.862 119.329 120.200 -0.015 0.000 2.110 28 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 28 E C 1.867 178.459 176.600 -0.013 0.000 0.988 28 E CA 1.211 57.604 56.400 -0.011 0.000 0.804 28 E CB -0.198 29.498 29.700 -0.007 0.000 0.745 28 E HN 0.331 nan 8.360 nan 0.000 0.458 29 A N 0.522 123.332 122.820 -0.016 0.000 1.935 29 A HA -0.046 4.273 4.320 -0.001 0.000 0.214 29 A C 1.621 179.196 177.584 -0.014 0.000 1.178 29 A CA 0.985 53.014 52.037 -0.014 0.000 0.640 29 A CB 0.042 19.033 19.000 -0.015 0.000 0.825 29 A HN 0.223 nan 8.150 nan 0.000 0.447 30 E N -0.818 119.370 120.200 -0.019 0.000 2.526 30 E HA 0.224 4.573 4.350 -0.001 0.000 0.208 30 E C 0.635 177.221 176.600 -0.023 0.000 0.997 30 E CA 0.364 56.752 56.400 -0.020 0.000 0.961 30 E CB -0.012 29.674 29.700 -0.024 0.000 1.030 30 E HN 0.622 nan 8.360 nan 0.000 0.483 31 G N 2.862 111.647 108.800 -0.023 0.000 2.352 31 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.283 31 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.283 31 G C 0.662 175.540 174.900 -0.036 0.000 0.946 31 G CA 0.365 45.450 45.100 -0.025 0.000 1.317 31 G HN 0.295 nan 8.290 nan 0.000 0.478 32 L N 0.514 121.705 121.223 -0.054 0.000 2.492 32 L HA 0.267 4.606 4.340 -0.001 0.000 0.223 32 L C 2.223 179.043 176.870 -0.084 0.000 1.132 32 L CA 0.442 55.231 54.840 -0.086 0.000 0.850 32 L CB -0.175 41.806 42.059 -0.130 0.000 0.966 32 L HN 1.055 nan 8.230 nan 0.000 0.454 33 G N 1.988 110.757 108.800 -0.052 0.000 2.366 33 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.299 33 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.299 33 G C -0.003 174.869 174.900 -0.046 0.000 1.020 33 G CA 0.156 45.233 45.100 -0.038 0.000 1.026 33 G HN 0.229 nan 8.290 nan 0.000 0.512 34 L N 0.145 121.340 121.223 -0.046 0.000 2.514 34 L HA 0.508 4.847 4.340 -0.001 0.000 0.280 34 L C 0.593 177.477 176.870 0.025 0.000 1.223 34 L CA 1.148 55.975 54.840 -0.022 0.000 0.864 34 L CB 0.778 42.847 42.059 0.017 0.000 1.118 34 L HN 1.162 nan 8.230 nan 0.000 0.494 35 A N 5.346 128.198 122.820 0.053 0.000 2.768 35 A HA 0.480 4.799 4.320 -0.001 0.000 0.299 35 A C -1.304 176.330 177.584 0.084 0.000 1.171 35 A CA -0.553 51.499 52.037 0.025 0.000 0.759 35 A CB -0.033 18.975 19.000 0.013 0.000 1.267 35 A HN 0.748 nan 8.150 nan 0.000 0.421 36 Y N -0.429 119.877 120.300 0.011 0.000 2.496 36 Y HA 0.859 5.408 4.550 -0.001 0.000 0.331 36 Y C -0.197 175.698 175.900 -0.009 0.000 1.140 36 Y CA -1.207 56.910 58.100 0.027 0.000 1.166 36 Y CB 1.256 39.728 38.460 0.020 0.000 1.249 36 Y HN 0.538 nan 8.280 nan 0.000 0.479 37 E N 1.671 121.943 120.200 0.120 0.000 2.290 37 E HA 0.488 4.838 4.350 -0.001 0.000 0.274 37 E C -2.009 174.486 176.600 -0.176 0.000 0.889 37 E CA -0.954 55.342 56.400 -0.172 0.000 0.760 37 E CB 2.308 31.760 29.700 -0.412 0.000 1.206 37 E HN 0.717 nan 8.360 nan 0.000 0.419 38 V N 5.515 125.332 119.914 -0.162 0.000 2.427 38 V HA 0.257 4.376 4.120 -0.001 0.000 0.268 38 V C -0.530 175.401 176.094 -0.271 0.000 1.046 38 V CA 0.172 62.428 62.300 -0.073 0.000 0.970 38 V CB -0.277 31.574 31.823 0.047 0.000 1.001 38 V HN 0.494 nan 8.190 nan 0.000 0.476 39 F N 6.547 126.557 119.950 0.100 0.000 2.458 39 F HA 0.543 5.069 4.527 -0.002 0.000 0.330 39 F C -1.849 174.026 175.800 0.125 0.000 1.082 39 F CA -2.823 55.233 58.000 0.093 0.000 0.995 39 F CB 1.478 40.518 39.000 0.066 0.000 1.170 39 F HN 0.311 nan 8.300 nan 0.000 0.478 40 P HA 0.101 nan 4.420 nan 0.000 0.271 40 P C -1.046 176.446 177.300 0.319 0.000 1.226 40 P CA 0.330 63.591 63.100 0.267 0.000 0.765 40 P CB 0.570 32.443 31.700 0.288 0.000 0.835 41 F N 2.475 122.461 119.950 0.060 0.000 2.608 41 F HA 0.527 5.054 4.527 -0.001 0.000 0.309 41 F C 0.686 176.438 175.800 -0.080 0.000 1.103 41 F CA 0.845 58.857 58.000 0.020 0.000 0.954 41 F CB 1.926 40.946 39.000 0.034 0.000 1.267 41 F HN 0.724 nan 8.300 nan 0.000 0.444 42 G N 3.169 111.474 108.800 -0.824 0.000 2.556 42 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.283 42 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.283 42 G C 1.105 175.597 174.900 -0.679 0.000 1.177 42 G CA 0.322 44.981 45.100 -0.735 0.000 0.978 42 G HN 1.734 nan 8.290 nan 0.000 0.554 43 G N 0.115 108.286 108.800 -1.049 0.000 2.513 43 G HA2 0.107 4.066 3.960 -0.001 0.000 0.219 43 G HA3 0.107 4.066 3.960 -0.001 0.000 0.219 43 G C 2.202 176.515 174.900 -0.978 0.000 1.160 43 G CA 3.531 47.380 45.100 -2.086 0.000 0.767 43 G HN 1.993 nan 8.290 nan 0.000 0.571 44 A N 0.901 123.418 122.820 -0.505 0.000 1.930 44 A HA 0.315 4.634 4.320 -0.001 0.000 0.217 44 A C 2.821 180.400 177.584 -0.008 0.000 1.175 44 A CA 2.246 54.211 52.037 -0.120 0.000 0.627 44 A CB -0.712 18.277 19.000 -0.019 0.000 0.815 44 A HN 0.854 nan 8.150 nan 0.000 0.443 45 A N 0.093 122.885 122.820 -0.047 0.000 1.873 45 A HA -0.051 4.268 4.320 -0.001 0.000 0.215 45 A C 2.091 179.742 177.584 0.112 0.000 1.186 45 A CA 1.471 53.564 52.037 0.092 0.000 0.616 45 A CB -0.622 18.387 19.000 0.014 0.000 0.823 45 A HN 0.489 nan 8.150 nan 0.000 0.442 46 I N 0.083 120.622 120.570 -0.052 0.000 2.226 46 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 46 I C 1.718 177.904 176.117 0.114 0.000 1.100 46 I CA 1.516 62.831 61.300 0.025 0.000 1.374 46 I CB -0.528 37.455 38.000 -0.028 0.000 1.057 46 I HN 0.200 nan 8.210 nan 0.000 0.413 47 D N 0.900 121.372 120.400 0.120 0.000 2.178 47 D HA -0.127 4.512 4.640 -0.001 0.000 0.201 47 D C 2.049 178.406 176.300 0.095 0.000 0.980 47 D CA 1.557 55.659 54.000 0.170 0.000 0.842 47 D CB -0.007 40.929 40.800 0.228 0.000 0.948 47 D HN 0.424 nan 8.370 nan 0.000 0.472 48 A N -1.426 121.450 122.820 0.093 0.000 2.085 48 A HA 0.183 4.502 4.320 -0.001 0.000 0.208 48 A C 1.256 178.674 177.584 -0.277 0.000 1.191 48 A CA 0.075 52.074 52.037 -0.063 0.000 0.799 48 A CB 0.127 19.105 19.000 -0.037 0.000 0.877 48 A HN 0.137 nan 8.150 nan 0.000 0.473 49 F N -1.498 118.472 119.950 0.033 0.000 2.767 49 F HA 0.381 4.907 4.527 -0.001 0.000 0.323 49 F C 1.743 177.558 175.800 0.024 0.000 1.091 49 F CA 0.349 58.365 58.000 0.027 0.000 1.192 49 F CB 0.749 39.765 39.000 0.026 0.000 1.056 49 F HN 0.306 nan 8.300 nan 0.000 0.571 50 G N 1.224 110.129 108.800 0.176 0.000 2.162 50 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.260 50 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.260 50 G C 0.047 175.013 174.900 0.109 0.000 0.976 50 G CA 0.559 45.731 45.100 0.122 0.000 0.655 50 G HN 0.483 nan 8.290 nan 0.000 0.533 51 E N -1.195 119.078 120.200 0.122 0.000 2.393 51 E HA 0.656 5.005 4.350 -0.001 0.000 0.273 51 E C -2.392 174.224 176.600 0.027 0.000 0.918 51 E CA -1.929 54.511 56.400 0.067 0.000 0.773 51 E CB 2.214 31.951 29.700 0.062 0.000 1.275 51 E HN 0.009 nan 8.360 nan 0.000 0.451 52 P HA 0.007 nan 4.420 nan 0.000 0.227 52 P C -0.201 177.070 177.300 -0.048 0.000 1.161 52 P CA 0.662 63.669 63.100 -0.154 0.000 0.788 52 P CB 0.139 31.698 31.700 -0.235 0.000 0.822 53 F N 2.468 122.368 119.950 -0.082 0.000 2.710 53 F HA 0.481 5.007 4.527 -0.001 0.000 0.345 53 F C -2.848 172.928 175.800 -0.040 0.000 1.362 53 F CA -3.856 54.182 58.000 0.063 0.000 1.175 53 F CB 0.695 39.785 39.000 0.151 0.000 1.561 53 F HN -0.214 nan 8.300 nan 0.000 0.593 54 P HA 0.151 nan 4.420 nan 0.000 0.276 54 P C 0.666 177.663 177.300 -0.505 0.000 1.252 54 P CA 0.030 62.881 63.100 -0.416 0.000 0.802 54 P CB 1.351 32.556 31.700 -0.826 0.000 1.035 55 E N 2.314 122.272 120.200 -0.404 0.000 2.113 55 E HA -0.220 4.129 4.350 -0.001 0.000 0.210 55 E C -0.854 175.568 176.600 -0.297 0.000 1.040 55 E CA 2.931 59.142 56.400 -0.314 0.000 0.847 55 E CB -1.902 27.697 29.700 -0.169 0.000 0.755 55 E HN 0.388 nan 8.360 nan 0.000 0.459 56 P HA -0.086 nan 4.420 nan 0.000 0.218 56 P C 1.153 178.313 177.300 -0.234 0.000 1.149 56 P CA 1.681 64.706 63.100 -0.125 0.000 0.817 56 P CB -0.153 31.558 31.700 0.018 0.000 0.785 57 T N 0.046 114.418 114.554 -0.304 0.000 2.867 57 T HA -0.055 4.294 4.350 -0.001 0.000 0.268 57 T C 1.948 176.370 174.700 -0.463 0.000 1.057 57 T CA 1.054 62.906 62.100 -0.415 0.000 1.136 57 T CB -0.334 68.508 68.868 -0.042 0.000 0.874 57 T HN 0.219 nan 8.240 nan 0.000 0.466 58 R N 0.934 121.106 120.500 -0.547 0.000 2.073 58 R HA 0.070 4.409 4.340 -0.001 0.000 0.229 58 R C 2.567 178.677 176.300 -0.317 0.000 1.120 58 R CA 0.933 56.703 56.100 -0.550 0.000 0.967 58 R CB -0.171 29.684 30.300 -0.741 0.000 0.862 58 R HN 0.292 nan 8.270 nan 0.000 0.436 59 K N 0.397 120.617 120.400 -0.299 0.000 2.032 59 K HA -0.132 4.187 4.320 -0.001 0.000 0.209 59 K C 2.162 178.614 176.600 -0.245 0.000 1.048 59 K CA 1.648 57.812 56.287 -0.206 0.000 0.927 59 K CB -0.347 32.072 32.500 -0.136 0.000 0.712 59 K HN 0.274 nan 8.250 nan 0.000 0.441 60 G N 0.218 108.717 108.800 -0.501 0.000 2.442 60 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 60 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 60 G C 1.449 176.124 174.900 -0.376 0.000 1.141 60 G CA 0.914 45.606 45.100 -0.679 0.000 0.763 60 G HN 0.211 nan 8.290 nan 0.000 0.554 61 V N 0.259 119.960 119.914 -0.356 0.000 2.346 61 V HA -0.062 4.057 4.120 -0.001 0.000 0.244 61 V C 2.634 178.679 176.094 -0.082 0.000 1.037 61 V CA 1.949 64.151 62.300 -0.163 0.000 1.029 61 V CB -0.006 31.761 31.823 -0.095 0.000 0.663 61 V HN 0.358 nan 8.190 nan 0.000 0.454 62 E N 1.281 121.430 120.200 -0.086 0.000 2.055 62 E HA -0.285 4.064 4.350 -0.001 0.000 0.209 62 E C 2.055 178.636 176.600 -0.031 0.000 1.036 62 E CA 2.244 58.612 56.400 -0.054 0.000 0.849 62 E CB -0.322 29.337 29.700 -0.068 0.000 0.767 62 E HN 0.683 nan 8.360 nan 0.000 0.461 63 E N -0.434 119.749 120.200 -0.029 0.000 2.427 63 E HA 0.149 4.498 4.350 -0.001 0.000 0.196 63 E C 0.282 176.908 176.600 0.043 0.000 1.028 63 E CA 0.225 56.631 56.400 0.010 0.000 0.864 63 E CB 0.197 29.909 29.700 0.020 0.000 0.813 63 E HN 0.278 nan 8.360 nan 0.000 0.514 64 A N 1.013 123.862 122.820 0.049 0.000 2.272 64 A HA 0.142 4.462 4.320 -0.001 0.000 0.275 64 A C 0.519 178.152 177.584 0.082 0.000 1.096 64 A CA -0.310 51.786 52.037 0.098 0.000 0.822 64 A CB 0.460 19.537 19.000 0.128 0.000 1.088 64 A HN 0.059 nan 8.150 nan 0.000 0.495 65 E N -0.729 119.548 120.200 0.127 0.000 2.472 65 E HA 0.418 4.767 4.350 -0.001 0.000 0.196 65 E C 0.056 176.645 176.600 -0.018 0.000 1.033 65 E CA 0.605 57.026 56.400 0.035 0.000 0.886 65 E CB 0.551 30.278 29.700 0.045 0.000 0.944 65 E HN 0.732 nan 8.360 nan 0.000 0.492 66 A N 0.265 123.162 122.820 0.128 0.000 2.608 66 A HA 0.535 4.854 4.320 -0.001 0.000 0.292 66 A C -1.427 176.281 177.584 0.205 0.000 1.066 66 A CA -0.631 51.524 52.037 0.195 0.000 0.676 66 A CB 1.566 20.727 19.000 0.269 0.000 1.277 66 A HN -0.028 nan 8.150 nan 0.000 0.413 67 V N 1.691 121.731 119.914 0.209 0.000 2.378 67 V HA 0.467 4.586 4.120 -0.001 0.000 0.288 67 V C -0.784 175.436 176.094 0.211 0.000 1.016 67 V CA -0.388 61.988 62.300 0.127 0.000 0.840 67 V CB 1.247 33.051 31.823 -0.032 0.000 0.994 67 V HN 0.789 nan 8.190 nan 0.000 0.431 68 L N 7.095 128.419 121.223 0.168 0.000 2.259 68 L HA 0.602 4.941 4.340 -0.001 0.000 0.288 68 L C -0.641 176.277 176.870 0.080 0.000 1.051 68 L CA -0.048 54.878 54.840 0.144 0.000 0.824 68 L CB 0.994 43.112 42.059 0.098 0.000 1.206 68 L HN 0.637 nan 8.230 nan 0.000 0.429 69 L N 4.841 126.097 121.223 0.055 0.000 2.334 69 L HA 0.874 5.213 4.340 -0.001 0.000 0.275 69 L C 0.592 177.486 176.870 0.039 0.000 1.036 69 L CA 0.391 55.236 54.840 0.009 0.000 0.807 69 L CB 1.628 43.647 42.059 -0.068 0.000 1.231 69 L HN 0.564 nan 8.230 nan 0.000 0.438 70 G N 1.919 110.757 108.800 0.064 0.000 2.964 70 G HA2 0.435 4.394 3.960 -0.001 0.000 0.191 70 G HA3 0.435 4.394 3.960 -0.001 0.000 0.191 70 G C -0.652 174.286 174.900 0.063 0.000 1.978 70 G CA 0.077 45.218 45.100 0.069 0.000 0.861 70 G HN 0.636 nan 8.290 nan 0.000 0.584 71 S N -2.107 113.652 115.700 0.099 0.000 2.564 71 S HA 0.629 5.098 4.470 -0.001 0.000 0.274 71 S C -1.476 173.175 174.600 0.085 0.000 1.124 71 S CA -0.360 57.897 58.200 0.096 0.000 0.869 71 S CB 2.234 65.519 63.200 0.141 0.000 1.105 71 S HN 0.358 nan 8.310 nan 0.000 0.472 72 V N 1.601 121.549 119.914 0.057 0.000 2.789 72 V HA 0.958 5.077 4.120 -0.001 0.000 0.311 72 V C 0.206 176.304 176.094 0.007 0.000 1.073 72 V CA 0.684 62.971 62.300 -0.022 0.000 0.921 72 V CB 1.474 33.246 31.823 -0.084 0.000 1.009 72 V HN 1.371 nan 8.190 nan 0.000 0.426 73 G N 2.685 111.490 108.800 0.009 0.000 2.497 73 G HA2 0.546 4.505 3.960 -0.001 0.000 0.686 73 G HA3 0.546 4.505 3.960 -0.001 0.000 0.686 73 G C -0.251 174.861 174.900 0.354 0.000 1.288 73 G CA -0.149 45.047 45.100 0.160 0.000 0.899 73 G HN 2.127 nan 8.290 nan 0.000 0.608 74 G N -1.125 107.903 108.800 0.380 0.000 2.336 74 G HA2 0.652 4.611 3.960 -0.001 0.000 0.300 74 G HA3 0.652 4.611 3.960 -0.001 0.000 0.300 74 G C -2.247 172.698 174.900 0.074 0.000 1.375 74 G CA 0.495 45.746 45.100 0.252 0.000 0.885 74 G HN 0.716 nan 8.290 nan 0.000 0.599 75 P HA -0.043 nan 4.420 nan 0.000 0.219 75 P C 1.570 178.718 177.300 -0.253 0.000 1.146 75 P CA 1.303 64.335 63.100 -0.113 0.000 0.808 75 P CB 0.266 31.902 31.700 -0.105 0.000 0.779 76 K N -1.476 118.593 120.400 -0.552 0.000 2.296 76 K HA -0.077 4.242 4.320 -0.001 0.000 0.200 76 K C 1.012 177.104 176.600 -0.848 0.000 1.048 76 K CA 0.948 56.719 56.287 -0.860 0.000 0.966 76 K CB -0.064 31.652 32.500 -1.308 0.000 0.754 76 K HN 0.217 nan 8.250 nan 0.000 0.466 77 W N 1.072 122.369 121.300 -0.005 0.000 2.904 77 W HA 0.180 4.839 4.660 -0.001 0.000 0.265 77 W C -0.424 176.086 176.519 -0.015 0.000 1.138 77 W CA -0.643 56.696 57.345 -0.011 0.000 1.455 77 W CB -0.204 29.246 29.460 -0.017 0.000 0.924 77 W HN -0.106 nan 8.180 nan 0.000 0.619 78 D N 0.876 121.378 120.400 0.170 0.000 2.493 78 D HA 0.278 4.917 4.640 -0.001 0.000 0.240 78 D C 1.485 177.814 176.300 0.048 0.000 1.142 78 D CA 2.017 56.073 54.000 0.093 0.000 0.872 78 D CB 0.517 41.356 40.800 0.066 0.000 1.173 78 D HN 0.277 nan 8.370 nan 0.000 0.467 79 G N 1.583 110.407 108.800 0.041 0.000 2.175 79 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.244 79 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.244 79 G C 0.484 175.401 174.900 0.029 0.000 0.982 79 G CA -0.285 44.829 45.100 0.023 0.000 0.641 79 G HN 0.481 nan 8.290 nan 0.000 0.527 80 L N 1.448 122.702 121.223 0.051 0.000 2.492 80 L HA 0.229 4.568 4.340 -0.001 0.000 0.280 80 L C -1.162 175.731 176.870 0.038 0.000 1.240 80 L CA -1.280 53.594 54.840 0.056 0.000 0.831 80 L CB 0.152 42.267 42.059 0.093 0.000 1.100 80 L HN -0.036 nan 8.230 nan 0.000 0.505 81 P HA -0.091 nan 4.420 nan 0.000 0.263 81 P C 0.183 177.496 177.300 0.023 0.000 1.168 81 P CA 0.298 63.412 63.100 0.024 0.000 0.759 81 P CB 0.354 32.069 31.700 0.026 0.000 0.782 82 R N 4.625 125.134 120.500 0.015 0.000 2.153 82 R HA -0.258 4.081 4.340 -0.001 0.000 0.252 82 R C 1.801 178.111 176.300 0.016 0.000 1.158 82 R CA 1.915 58.021 56.100 0.011 0.000 0.975 82 R CB -0.271 30.032 30.300 0.006 0.000 0.871 82 R HN 0.342 nan 8.270 nan 0.000 0.450 83 K N 0.652 121.064 120.400 0.020 0.000 2.147 83 K HA -0.128 4.191 4.320 -0.001 0.000 0.205 83 K C 1.385 178.002 176.600 0.028 0.000 1.049 83 K CA 1.789 58.091 56.287 0.025 0.000 0.936 83 K CB -0.011 32.504 32.500 0.025 0.000 0.722 83 K HN 0.566 nan 8.250 nan 0.000 0.446 84 I N -1.119 119.468 120.570 0.027 0.000 3.833 84 I HA 0.206 4.375 4.170 -0.001 0.000 0.328 84 I C -0.124 176.000 176.117 0.011 0.000 1.554 84 I CA -0.971 60.345 61.300 0.026 0.000 1.116 84 I CB 0.363 38.388 38.000 0.042 0.000 1.182 84 I HN -0.111 nan 8.210 nan 0.000 0.459 85 R N 1.232 121.734 120.500 0.004 0.000 2.532 85 R HA 0.575 4.914 4.340 -0.001 0.000 0.272 85 R C -1.830 174.432 176.300 -0.064 0.000 1.032 85 R CA -1.250 54.849 56.100 -0.001 0.000 1.089 85 R CB 0.357 30.666 30.300 0.015 0.000 1.098 85 R HN -0.147 nan 8.270 nan 0.000 0.526 86 P HA -0.186 nan 4.420 nan 0.000 0.215 86 P C 0.382 177.598 177.300 -0.140 0.000 1.157 86 P CA 1.408 64.401 63.100 -0.178 0.000 0.868 86 P CB 0.139 31.765 31.700 -0.122 0.000 0.788 87 E N -0.515 119.648 120.200 -0.062 0.000 2.097 87 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 87 E C 2.102 178.677 176.600 -0.041 0.000 1.000 87 E CA 2.036 58.412 56.400 -0.041 0.000 0.804 87 E CB -1.153 28.535 29.700 -0.020 0.000 0.740 87 E HN 0.249 nan 8.360 nan 0.000 0.454 88 T N -0.450 114.082 114.554 -0.038 0.000 2.867 88 T HA -0.080 4.270 4.350 -0.001 0.000 0.268 88 T C 1.818 176.505 174.700 -0.022 0.000 1.057 88 T CA 1.086 63.176 62.100 -0.017 0.000 1.136 88 T CB -0.412 68.456 68.868 -0.000 0.000 0.874 88 T HN 0.404 nan 8.240 nan 0.000 0.466 89 G N 1.177 109.927 108.800 -0.085 0.000 2.402 89 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.216 89 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.216 89 G C 1.491 176.361 174.900 -0.050 0.000 1.162 89 G CA 0.232 45.260 45.100 -0.119 0.000 0.777 89 G HN 0.413 nan 8.290 nan 0.000 0.539 90 L N 0.022 121.226 121.223 -0.031 0.000 2.012 90 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 90 L C 2.954 179.805 176.870 -0.032 0.000 1.073 90 L CA 0.865 55.732 54.840 0.045 0.000 0.748 90 L CB -0.383 41.688 42.059 0.021 0.000 0.891 90 L HN 0.206 nan 8.230 nan 0.000 0.431 91 L N -1.314 119.895 121.223 -0.024 0.000 2.046 91 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 91 L C 2.710 179.565 176.870 -0.025 0.000 1.077 91 L CA 1.187 56.020 54.840 -0.012 0.000 0.747 91 L CB -0.614 41.456 42.059 0.020 0.000 0.896 91 L HN 0.199 nan 8.230 nan 0.000 0.432 92 S N 0.168 115.857 115.700 -0.017 0.000 2.368 92 S HA -0.187 4.282 4.470 -0.001 0.000 0.225 92 S C 1.854 176.393 174.600 -0.103 0.000 1.030 92 S CA 1.394 59.617 58.200 0.039 0.000 0.999 92 S CB -0.370 62.971 63.200 0.235 0.000 0.844 92 S HN 0.263 nan 8.310 nan 0.000 0.459 93 L N 2.097 123.043 121.223 -0.462 0.000 2.012 93 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 93 L C 2.203 178.918 176.870 -0.258 0.000 1.073 93 L CA 1.817 56.278 54.840 -0.632 0.000 0.748 93 L CB -0.543 41.071 42.059 -0.743 0.000 0.891 93 L HN 0.139 nan 8.230 nan 0.000 0.431 94 R N -0.533 119.863 120.500 -0.175 0.000 2.066 94 R HA -0.172 4.167 4.340 -0.001 0.000 0.232 94 R C 2.418 178.671 176.300 -0.078 0.000 1.131 94 R CA 1.604 57.631 56.100 -0.122 0.000 0.955 94 R CB -0.400 29.846 30.300 -0.090 0.000 0.851 94 R HN 0.363 nan 8.270 nan 0.000 0.432 95 K N 0.797 121.169 120.400 -0.046 0.000 2.152 95 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 95 K C 2.073 178.674 176.600 0.002 0.000 1.048 95 K CA 1.783 58.059 56.287 -0.019 0.000 0.933 95 K CB -0.008 32.494 32.500 0.004 0.000 0.721 95 K HN 0.180 nan 8.250 nan 0.000 0.447 96 S N -0.275 115.441 115.700 0.026 0.000 2.453 96 S HA -0.058 4.412 4.470 -0.001 0.000 0.231 96 S C 1.426 176.035 174.600 0.014 0.000 1.005 96 S CA 0.532 58.768 58.200 0.060 0.000 0.949 96 S CB 0.140 63.447 63.200 0.179 0.000 0.774 96 S HN 0.274 nan 8.310 nan 0.000 0.510 97 Q N 0.696 120.481 119.800 -0.026 0.000 2.247 97 Q HA 0.223 4.563 4.340 -0.001 0.000 0.211 97 Q C -0.280 175.688 176.000 -0.054 0.000 0.861 97 Q CA 0.330 56.102 55.803 -0.051 0.000 0.949 97 Q CB -0.220 28.461 28.738 -0.095 0.000 1.115 97 Q HN 0.591 nan 8.270 nan 0.000 0.507 98 D N 0.877 121.257 120.400 -0.033 0.000 2.737 98 D HA -0.180 4.459 4.640 -0.001 0.000 0.238 98 D C -1.093 175.189 176.300 -0.030 0.000 1.157 98 D CA 0.335 54.336 54.000 0.001 0.000 0.694 98 D CB -1.148 39.681 40.800 0.049 0.000 1.021 98 D HN 0.239 nan 8.370 nan 0.000 0.420 99 L N 1.527 122.686 121.223 -0.107 0.000 2.283 99 L HA 0.266 4.605 4.340 -0.001 0.000 0.287 99 L C 1.570 178.360 176.870 -0.133 0.000 1.073 99 L CA -0.743 53.955 54.840 -0.236 0.000 0.822 99 L CB 0.228 42.149 42.059 -0.231 0.000 1.186 99 L HN 0.173 nan 8.230 nan 0.000 0.436 100 F N 0.741 120.661 119.950 -0.050 0.000 2.704 100 F HA 0.593 5.119 4.527 -0.002 0.000 0.304 100 F C 0.704 176.502 175.800 -0.003 0.000 1.094 100 F CA -0.825 57.163 58.000 -0.020 0.000 1.275 100 F CB 0.035 39.031 39.000 -0.008 0.000 1.073 100 F HN 0.269 nan 8.300 nan 0.000 0.586 101 A N 1.404 124.164 122.820 -0.100 0.000 2.330 101 A HA 0.585 4.904 4.320 -0.001 0.000 0.313 101 A C -1.265 176.258 177.584 -0.102 0.000 1.124 101 A CA -0.608 51.423 52.037 -0.011 0.000 0.774 101 A CB 0.433 19.412 19.000 -0.036 0.000 1.198 101 A HN 0.333 nan 8.150 nan 0.000 0.465 102 N N 1.912 120.589 118.700 -0.037 0.000 2.417 102 N HA 0.568 5.307 4.740 -0.001 0.000 0.274 102 N C -1.556 173.920 175.510 -0.057 0.000 0.987 102 N CA -0.313 52.698 53.050 -0.066 0.000 0.912 102 N CB 0.753 39.223 38.487 -0.027 0.000 1.177 102 N HN 0.439 nan 8.380 nan 0.000 0.490 103 L N 3.757 124.924 121.223 -0.093 0.000 2.276 103 L HA 0.499 4.838 4.340 -0.001 0.000 0.286 103 L C -0.113 176.737 176.870 -0.032 0.000 1.024 103 L CA -0.198 54.596 54.840 -0.078 0.000 0.826 103 L CB 1.067 43.036 42.059 -0.150 0.000 1.211 103 L HN 0.480 nan 8.230 nan 0.000 0.422 104 R N 4.623 125.117 120.500 -0.010 0.000 2.412 104 R HA 0.418 4.757 4.340 -0.001 0.000 0.304 104 R C -2.605 173.706 176.300 0.017 0.000 1.066 104 R CA -1.609 54.498 56.100 0.011 0.000 0.923 104 R CB 1.533 31.838 30.300 0.010 0.000 1.156 104 R HN 0.267 nan 8.270 nan 0.000 0.513 105 P HA 0.199 nan 4.420 nan 0.000 0.293 105 P C -0.979 176.332 177.300 0.020 0.000 1.300 105 P CA -0.462 62.653 63.100 0.025 0.000 0.792 105 P CB 1.718 33.442 31.700 0.040 0.000 0.925 106 A N 3.997 126.820 122.820 0.006 0.000 2.260 106 A HA 0.540 4.859 4.320 -0.001 0.000 0.314 106 A C -0.019 177.543 177.584 -0.035 0.000 1.257 106 A CA -0.529 51.511 52.037 0.004 0.000 0.871 106 A CB 0.308 19.316 19.000 0.012 0.000 1.166 106 A HN 0.500 nan 8.150 nan 0.000 0.522 107 K N 2.460 122.816 120.400 -0.072 0.000 2.397 107 K HA 0.567 4.886 4.320 -0.001 0.000 0.253 107 K C -1.573 174.921 176.600 -0.177 0.000 0.932 107 K CA -0.478 55.673 56.287 -0.226 0.000 0.795 107 K CB 1.862 34.045 32.500 -0.528 0.000 1.159 107 K HN 0.379 nan 8.250 nan 0.000 0.424 108 V N 5.999 125.826 119.914 -0.144 0.000 2.320 108 V HA 0.292 4.412 4.120 -0.001 0.000 0.265 108 V C -0.367 175.688 176.094 -0.064 0.000 1.048 108 V CA -0.596 61.685 62.300 -0.033 0.000 0.865 108 V CB -0.393 31.432 31.823 0.004 0.000 1.043 108 V HN 0.625 nan 8.190 nan 0.000 0.474 109 F N 5.728 125.694 119.950 0.027 0.000 2.496 109 F HA 0.302 4.829 4.527 -0.001 0.000 0.344 109 F C -1.542 174.269 175.800 0.018 0.000 1.155 109 F CA -1.998 56.016 58.000 0.024 0.000 1.302 109 F CB 0.035 39.051 39.000 0.027 0.000 1.159 109 F HN 0.302 nan 8.300 nan 0.000 0.595 110 P HA 0.055 nan 4.420 nan 0.000 0.261 110 P C 0.551 177.914 177.300 0.106 0.000 1.173 110 P CA 1.385 64.553 63.100 0.114 0.000 0.760 110 P CB 0.286 32.043 31.700 0.095 0.000 0.783 111 G N 2.632 111.476 108.800 0.073 0.000 2.184 111 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.264 111 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.264 111 G C 0.469 175.407 174.900 0.064 0.000 0.975 111 G CA 0.051 45.186 45.100 0.058 0.000 0.642 111 G HN 0.525 nan 8.290 nan 0.000 0.536 112 L N -0.380 120.896 121.223 0.088 0.000 2.959 112 L HA 0.289 4.628 4.340 -0.001 0.000 0.259 112 L C 1.987 178.902 176.870 0.074 0.000 1.185 112 L CA 0.094 54.987 54.840 0.088 0.000 0.998 112 L CB 0.364 42.504 42.059 0.136 0.000 1.337 112 L HN 0.086 nan 8.230 nan 0.000 0.555 113 E N 0.682 120.918 120.200 0.060 0.000 2.171 113 E HA -0.246 4.103 4.350 -0.001 0.000 0.197 113 E C 2.083 178.706 176.600 0.038 0.000 0.997 113 E CA 1.023 57.450 56.400 0.045 0.000 0.810 113 E CB -0.151 29.570 29.700 0.035 0.000 0.738 113 E HN 0.247 nan 8.360 nan 0.000 0.467 114 R N 0.157 120.679 120.500 0.036 0.000 2.159 114 R HA -0.113 4.227 4.340 -0.001 0.000 0.237 114 R C 1.613 177.930 176.300 0.028 0.000 1.131 114 R CA 0.962 57.079 56.100 0.029 0.000 0.982 114 R CB -0.097 30.218 30.300 0.026 0.000 0.868 114 R HN 0.256 nan 8.270 nan 0.000 0.453 115 L N -0.205 121.039 121.223 0.035 0.000 2.446 115 L HA 0.080 4.419 4.340 -0.001 0.000 0.219 115 L C 1.183 178.073 176.870 0.032 0.000 1.116 115 L CA -0.158 54.701 54.840 0.032 0.000 0.844 115 L CB 0.074 42.155 42.059 0.037 0.000 0.970 115 L HN 0.016 nan 8.230 nan 0.000 0.457 116 S N 0.921 116.642 115.700 0.035 0.000 2.564 116 S HA 0.133 4.602 4.470 -0.001 0.000 0.278 116 S C -1.115 173.501 174.600 0.026 0.000 1.333 116 S CA -1.207 57.013 58.200 0.033 0.000 1.048 116 S CB 0.796 64.017 63.200 0.034 0.000 0.900 116 S HN 0.016 nan 8.310 nan 0.000 0.505 117 P HA 0.024 nan 4.420 nan 0.000 0.226 117 P C 0.159 177.472 177.300 0.021 0.000 1.153 117 P CA 0.558 63.671 63.100 0.021 0.000 0.777 117 P CB -0.019 31.693 31.700 0.019 0.000 0.794 118 L N 0.155 121.392 121.223 0.024 0.000 2.453 118 L HA 0.179 4.519 4.340 -0.001 0.000 0.261 118 L C 1.164 178.047 176.870 0.022 0.000 1.179 118 L CA -0.713 54.142 54.840 0.024 0.000 0.813 118 L CB 0.172 42.247 42.059 0.028 0.000 1.110 118 L HN -0.188 nan 8.230 nan 0.000 0.466 119 K N 1.319 121.731 120.400 0.020 0.000 2.436 119 K HA -0.035 4.284 4.320 -0.001 0.000 0.275 119 K C 0.899 177.510 176.600 0.019 0.000 0.999 119 K CA 0.028 56.326 56.287 0.018 0.000 0.980 119 K CB 0.695 33.204 32.500 0.016 0.000 0.919 119 K HN 0.551 nan 8.250 nan 0.000 0.484 120 E N 1.935 122.145 120.200 0.018 0.000 2.097 120 E HA -0.263 4.086 4.350 -0.001 0.000 0.196 120 E C 1.724 178.334 176.600 0.016 0.000 1.000 120 E CA 1.630 58.042 56.400 0.019 0.000 0.804 120 E CB 0.117 29.828 29.700 0.018 0.000 0.740 120 E HN 0.607 nan 8.360 nan 0.000 0.454 121 E N 0.805 121.013 120.200 0.013 0.000 2.160 121 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 121 E C 1.971 178.577 176.600 0.010 0.000 0.991 121 E CA 1.168 57.574 56.400 0.010 0.000 0.810 121 E CB -0.288 29.417 29.700 0.008 0.000 0.742 121 E HN 0.410 nan 8.360 nan 0.000 0.466 122 I N 0.872 121.451 120.570 0.015 0.000 3.035 122 I HA 0.011 4.180 4.170 -0.001 0.000 0.271 122 I C 2.518 178.648 176.117 0.022 0.000 1.190 122 I CA 0.588 61.899 61.300 0.019 0.000 1.472 122 I CB -0.087 37.928 38.000 0.025 0.000 1.116 122 I HN 0.083 nan 8.210 nan 0.000 0.443 123 A N 0.666 123.499 122.820 0.022 0.000 2.014 123 A HA -0.023 4.296 4.320 -0.001 0.000 0.218 123 A C 1.398 178.992 177.584 0.016 0.000 1.163 123 A CA 0.270 52.321 52.037 0.023 0.000 0.652 123 A CB -0.316 18.700 19.000 0.026 0.000 0.808 123 A HN 0.227 nan 8.150 nan 0.000 0.449 124 R N -0.292 120.216 120.500 0.013 0.000 2.488 124 R HA 0.186 4.525 4.340 -0.001 0.000 0.317 124 R C 1.153 177.452 176.300 -0.002 0.000 0.941 124 R CA 0.898 57.003 56.100 0.008 0.000 1.076 124 R CB -0.382 29.922 30.300 0.006 0.000 0.917 124 R HN 0.772 nan 8.270 nan 0.000 0.407 125 G N 1.999 110.793 108.800 -0.010 0.000 2.143 125 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.249 125 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.249 125 G C 0.210 175.092 174.900 -0.029 0.000 0.981 125 G CA 0.004 45.090 45.100 -0.023 0.000 0.665 125 G HN 0.482 nan 8.290 nan 0.000 0.528 126 V N 0.900 120.799 119.914 -0.024 0.000 2.585 126 V HA 0.463 4.583 4.120 -0.001 0.000 0.296 126 V C 0.411 176.475 176.094 -0.051 0.000 1.035 126 V CA 1.028 63.320 62.300 -0.012 0.000 1.084 126 V CB 1.627 33.455 31.823 0.009 0.000 0.953 126 V HN 0.394 nan 8.190 nan 0.000 0.483 127 D N 3.828 124.214 120.400 -0.024 0.000 2.934 127 D HA 0.149 4.788 4.640 -0.001 0.000 0.249 127 D C -1.106 175.197 176.300 0.005 0.000 1.293 127 D CA -0.160 53.812 54.000 -0.047 0.000 0.812 127 D CB 1.352 42.111 40.800 -0.067 0.000 1.439 127 D HN 0.331 nan 8.370 nan 0.000 0.555 128 V N 3.011 122.935 119.914 0.016 0.000 2.398 128 V HA 0.652 4.771 4.120 -0.001 0.000 0.286 128 V C -0.981 175.119 176.094 0.010 0.000 1.026 128 V CA -0.729 61.595 62.300 0.040 0.000 0.868 128 V CB 1.405 33.264 31.823 0.062 0.000 0.982 128 V HN 0.373 nan 8.190 nan 0.000 0.443 129 L N 8.391 129.618 121.223 0.007 0.000 2.287 129 L HA 0.618 4.958 4.340 -0.001 0.000 0.287 129 L C -0.607 176.246 176.870 -0.029 0.000 1.022 129 L CA -0.098 54.740 54.840 -0.003 0.000 0.814 129 L CB 1.281 43.347 42.059 0.012 0.000 1.217 129 L HN 0.553 nan 8.230 nan 0.000 0.420 130 I N 6.620 127.173 120.570 -0.030 0.000 2.312 130 I HA 0.282 4.451 4.170 -0.001 0.000 0.290 130 I C -0.261 175.839 176.117 -0.027 0.000 1.008 130 I CA -0.596 60.680 61.300 -0.040 0.000 1.226 130 I CB 1.324 39.304 38.000 -0.034 0.000 1.371 130 I HN 0.260 nan 8.210 nan 0.000 0.468 131 V N 7.634 127.532 119.914 -0.028 0.000 2.383 131 V HA 0.399 4.519 4.120 -0.001 0.000 0.275 131 V C 0.477 176.592 176.094 0.034 0.000 1.036 131 V CA -0.664 61.630 62.300 -0.011 0.000 0.889 131 V CB 1.485 33.294 31.823 -0.024 0.000 0.985 131 V HN 0.735 nan 8.190 nan 0.000 0.459 132 R N 4.111 124.640 120.500 0.048 0.000 2.480 132 R HA 0.351 4.690 4.340 -0.001 0.000 0.306 132 R C -0.302 176.079 176.300 0.135 0.000 0.958 132 R CA -0.644 55.507 56.100 0.085 0.000 0.861 132 R CB 1.474 31.814 30.300 0.067 0.000 1.171 132 R HN 0.695 nan 8.270 nan 0.000 0.445 133 E N 5.095 125.414 120.200 0.198 0.000 2.417 133 E HA -0.044 4.305 4.350 -0.001 0.000 0.261 133 E C 0.150 176.901 176.600 0.251 0.000 1.000 133 E CA 0.225 56.783 56.400 0.263 0.000 0.919 133 E CB 0.879 30.792 29.700 0.354 0.000 0.955 133 E HN 0.726 nan 8.360 nan 0.000 0.455 134 L N 3.276 124.641 121.223 0.237 0.000 2.513 134 L HA -0.023 4.316 4.340 -0.001 0.000 0.222 134 L C 1.659 178.662 176.870 0.222 0.000 1.096 134 L CA 1.205 56.172 54.840 0.211 0.000 0.857 134 L CB 0.207 42.344 42.059 0.129 0.000 1.026 134 L HN 0.536 nan 8.230 nan 0.000 0.469 135 T N -4.540 110.105 114.554 0.152 0.000 3.084 135 T HA 0.375 4.724 4.350 -0.001 0.000 0.270 135 T C 0.534 175.140 174.700 -0.157 0.000 1.008 135 T CA 0.117 62.140 62.100 -0.128 0.000 0.900 135 T CB 0.809 69.604 68.868 -0.122 0.000 1.084 135 T HN 0.179 nan 8.240 nan 0.000 0.538 136 G N -0.372 108.522 108.800 0.156 0.000 3.166 136 G HA2 0.694 4.653 3.960 -0.001 0.000 0.267 136 G HA3 0.694 4.653 3.960 -0.001 0.000 0.267 136 G C 0.241 175.124 174.900 -0.027 0.000 1.256 136 G CA -0.241 44.888 45.100 0.049 0.000 0.859 136 G HN 0.991 nan 8.290 nan 0.000 0.590 137 G N -1.126 107.298 108.800 -0.626 0.000 2.750 137 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.228 137 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.228 137 G C 1.052 175.786 174.900 -0.276 0.000 1.367 137 G CA 0.281 45.040 45.100 -0.570 0.000 0.871 137 G HN 1.431 nan 8.290 nan 0.000 0.560 138 I N -0.545 119.844 120.570 -0.301 0.000 2.502 138 I HA -0.179 3.990 4.170 -0.001 0.000 0.258 138 I C 2.402 178.462 176.117 -0.096 0.000 1.172 138 I CA 1.907 63.092 61.300 -0.193 0.000 1.430 138 I CB -0.146 37.731 38.000 -0.205 0.000 1.086 138 I HN 0.558 nan 8.210 nan 0.000 0.440 139 Y N -0.272 119.887 120.300 -0.236 0.000 2.352 139 Y HA -0.131 4.419 4.550 -0.001 0.000 0.292 139 Y C 1.639 177.094 175.900 -0.741 0.000 1.136 139 Y CA 1.118 58.914 58.100 -0.508 0.000 1.227 139 Y CB -0.664 37.419 38.460 -0.628 0.000 0.991 139 Y HN 0.211 nan 8.280 nan 0.000 0.545 140 F N -1.679 118.301 119.950 0.050 0.000 2.767 140 F HA 0.411 4.937 4.527 -0.002 0.000 0.323 140 F C 1.551 177.332 175.800 -0.033 0.000 1.091 140 F CA -0.525 57.478 58.000 0.005 0.000 1.192 140 F CB -0.169 38.833 39.000 0.003 0.000 1.056 140 F HN -0.214 nan 8.300 nan 0.000 0.571 141 G N 1.110 109.950 108.800 0.066 0.000 2.483 141 G HA2 0.426 4.385 3.960 -0.001 0.000 0.248 141 G HA3 0.426 4.385 3.960 -0.001 0.000 0.248 141 G C -0.352 174.561 174.900 0.022 0.000 1.248 141 G CA -0.177 44.929 45.100 0.010 0.000 0.838 141 G HN 0.202 nan 8.290 nan 0.000 0.566 142 E N 1.392 121.610 120.200 0.030 0.000 2.263 142 E HA 0.328 4.677 4.350 -0.001 0.000 0.264 142 E C -2.427 174.209 176.600 0.060 0.000 0.923 142 E CA -1.747 54.686 56.400 0.055 0.000 0.802 142 E CB 2.059 31.792 29.700 0.054 0.000 1.228 142 E HN 0.265 nan 8.360 nan 0.000 0.417 143 P HA 0.088 nan 4.420 nan 0.000 0.271 143 P C -0.909 176.546 177.300 0.259 0.000 1.218 143 P CA -0.070 63.151 63.100 0.201 0.000 0.780 143 P CB 0.511 32.353 31.700 0.237 0.000 0.901 144 R N 0.703 121.302 120.500 0.165 0.000 2.808 144 R HA 0.904 5.243 4.340 -0.001 0.000 0.272 144 R C -0.437 175.607 176.300 -0.427 0.000 0.995 144 R CA -0.967 55.049 56.100 -0.140 0.000 0.917 144 R CB 1.663 31.881 30.300 -0.136 0.000 1.217 144 R HN 0.649 nan 8.270 nan 0.000 0.471 145 G N 0.327 108.439 108.800 -1.146 0.000 2.352 145 G HA2 0.326 4.285 3.960 -0.001 0.000 0.283 145 G HA3 0.326 4.285 3.960 -0.001 0.000 0.283 145 G C -1.808 172.070 174.900 -1.704 0.000 1.308 145 G CA -0.431 43.983 45.100 -1.142 0.000 0.892 145 G HN 0.737 nan 8.290 nan 0.000 0.504 146 M N 0.694 119.616 119.600 -1.129 0.000 2.346 146 M HA 0.577 5.056 4.480 -0.001 0.000 0.287 146 M C -0.581 175.644 176.300 -0.125 0.000 1.100 146 M CA -0.255 54.709 55.300 -0.560 0.000 0.950 146 M CB 1.825 34.221 32.600 -0.340 0.000 1.815 146 M HN 1.620 nan 8.290 nan 0.000 0.497 147 S N 1.801 117.566 115.700 0.108 0.000 2.806 147 S HA 0.439 4.908 4.470 -0.001 0.000 0.315 147 S C 0.518 175.166 174.600 0.080 0.000 1.127 147 S CA -0.173 58.110 58.200 0.137 0.000 0.918 147 S CB 1.505 64.839 63.200 0.223 0.000 1.240 147 S HN 0.904 nan 8.310 nan 0.000 0.552 148 E N -0.082 120.156 120.200 0.063 0.000 2.268 148 E HA -0.049 4.300 4.350 -0.001 0.000 0.195 148 E C 1.498 178.127 176.600 0.048 0.000 0.995 148 E CA 1.057 57.481 56.400 0.041 0.000 0.836 148 E CB -0.329 29.389 29.700 0.030 0.000 0.763 148 E HN 0.715 nan 8.360 nan 0.000 0.491 149 A N 0.770 123.632 122.820 0.069 0.000 2.169 149 A HA 0.102 4.421 4.320 -0.001 0.000 0.210 149 A C 0.525 178.160 177.584 0.085 0.000 1.168 149 A CA 0.574 52.649 52.037 0.064 0.000 0.813 149 A CB 0.129 19.160 19.000 0.052 0.000 0.861 149 A HN 0.472 nan 8.150 nan 0.000 0.481 150 E N -2.860 117.423 120.200 0.138 0.000 2.427 150 E HA 0.662 5.012 4.350 -0.001 0.000 0.279 150 E C -1.032 175.729 176.600 0.268 0.000 1.120 150 E CA -0.662 55.850 56.400 0.186 0.000 0.869 150 E CB 0.678 30.491 29.700 0.189 0.000 1.393 150 E HN 0.611 nan 8.360 nan 0.000 0.443 151 A N 0.378 123.364 122.820 0.277 0.000 2.572 151 A HA 0.834 5.153 4.320 -0.001 0.000 0.295 151 A C -2.079 175.693 177.584 0.313 0.000 1.072 151 A CA -0.565 51.554 52.037 0.136 0.000 0.691 151 A CB 0.931 19.888 19.000 -0.071 0.000 1.291 151 A HN 0.839 nan 8.150 nan 0.000 0.404 152 W N 0.877 122.169 121.300 -0.013 0.000 3.167 152 W HA 0.812 5.471 4.660 -0.002 0.000 0.324 152 W C -1.272 175.236 176.519 -0.019 0.000 1.230 152 W CA -0.601 56.735 57.345 -0.015 0.000 1.184 152 W CB 1.237 30.688 29.460 -0.015 0.000 1.414 152 W HN 0.581 nan 8.180 nan 0.000 0.551 153 N N 0.550 119.319 118.700 0.116 0.000 2.416 153 N HA 0.548 5.287 4.740 -0.001 0.000 0.276 153 N C -1.683 173.870 175.510 0.071 0.000 1.261 153 N CA -0.702 52.367 53.050 0.031 0.000 0.790 153 N CB 2.670 41.140 38.487 -0.029 0.000 1.554 153 N HN 0.446 nan 8.380 nan 0.000 0.481 154 T N 0.569 115.142 114.554 0.032 0.000 2.864 154 T HA 0.159 4.508 4.350 -0.001 0.000 0.299 154 T C -0.257 174.413 174.700 -0.051 0.000 1.011 154 T CA -0.468 61.641 62.100 0.016 0.000 0.975 154 T CB 1.350 70.241 68.868 0.038 0.000 0.962 154 T HN 0.383 nan 8.240 nan 0.000 0.448 155 E N 4.063 124.222 120.200 -0.068 0.000 2.265 155 E HA 0.258 4.607 4.350 -0.001 0.000 0.272 155 E C 0.207 176.744 176.600 -0.106 0.000 1.067 155 E CA -0.287 56.038 56.400 -0.125 0.000 0.900 155 E CB 0.333 29.964 29.700 -0.116 0.000 1.017 155 E HN 0.635 nan 8.360 nan 0.000 0.431 156 R N 2.986 123.370 120.500 -0.195 0.000 2.707 156 R HA 0.553 4.892 4.340 -0.001 0.000 0.272 156 R C -1.435 174.679 176.300 -0.310 0.000 1.011 156 R CA -0.939 55.068 56.100 -0.155 0.000 0.893 156 R CB 0.980 31.213 30.300 -0.112 0.000 1.233 156 R HN 0.361 nan 8.270 nan 0.000 0.464 157 Y N 0.085 120.392 120.300 0.011 0.000 2.513 157 Y HA 0.370 4.919 4.550 -0.001 0.000 0.340 157 Y C -0.275 175.631 175.900 0.010 0.000 1.055 157 Y CA -0.434 57.718 58.100 0.087 0.000 1.020 157 Y CB 2.916 41.547 38.460 0.284 0.000 1.301 157 Y HN 0.925 nan 8.280 nan 0.000 0.453 158 S N 1.134 116.989 115.700 0.259 0.000 2.722 158 S HA 0.449 4.918 4.470 -0.001 0.000 0.292 158 S C 0.920 175.719 174.600 0.331 0.000 1.135 158 S CA -0.734 57.575 58.200 0.181 0.000 1.003 158 S CB 2.117 65.367 63.200 0.083 0.000 1.067 158 S HN 0.712 nan 8.310 nan 0.000 0.546 159 K N 1.187 121.790 120.400 0.338 0.000 1.991 159 K HA 0.024 4.343 4.320 -0.001 0.000 0.212 159 K C -1.038 175.585 176.600 0.038 0.000 1.049 159 K CA 1.773 58.190 56.287 0.217 0.000 0.932 159 K CB -1.405 31.200 32.500 0.175 0.000 0.717 159 K HN 0.473 nan 8.250 nan 0.000 0.441 160 P HA -0.201 nan 4.420 nan 0.000 0.216 160 P C 0.475 177.717 177.300 -0.096 0.000 1.154 160 P CA 1.702 64.772 63.100 -0.049 0.000 0.865 160 P CB -0.040 31.635 31.700 -0.040 0.000 0.789 161 E N -0.786 119.397 120.200 -0.027 0.000 2.072 161 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 161 E C 1.999 178.518 176.600 -0.134 0.000 0.985 161 E CA 1.015 57.399 56.400 -0.027 0.000 0.801 161 E CB -0.547 29.280 29.700 0.211 0.000 0.750 161 E HN 0.059 nan 8.360 nan 0.000 0.452 162 V N 1.524 121.315 119.914 -0.205 0.000 2.427 162 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 162 V C 2.038 177.872 176.094 -0.433 0.000 1.051 162 V CA 1.743 63.703 62.300 -0.566 0.000 1.048 162 V CB -0.461 30.969 31.823 -0.655 0.000 0.666 162 V HN 0.213 nan 8.190 nan 0.000 0.456 163 E N 0.474 120.513 120.200 -0.267 0.000 2.110 163 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 163 E C 2.418 178.936 176.600 -0.137 0.000 0.988 163 E CA 1.505 57.794 56.400 -0.185 0.000 0.804 163 E CB -0.131 29.491 29.700 -0.130 0.000 0.745 163 E HN 0.698 nan 8.360 nan 0.000 0.458 164 R N 0.272 120.657 120.500 -0.192 0.000 2.161 164 R HA 0.046 4.385 4.340 -0.001 0.000 0.213 164 R C 2.226 178.512 176.300 -0.023 0.000 1.055 164 R CA 0.735 56.732 56.100 -0.172 0.000 0.996 164 R CB -0.442 29.576 30.300 -0.471 0.000 0.901 164 R HN 0.025 nan 8.270 nan 0.000 0.456 165 V N 1.211 121.084 119.914 -0.070 0.000 2.591 165 V HA 0.034 4.153 4.120 -0.001 0.000 0.249 165 V C 2.306 178.412 176.094 0.019 0.000 1.053 165 V CA 1.542 63.891 62.300 0.081 0.000 1.068 165 V CB 0.020 31.910 31.823 0.111 0.000 0.689 165 V HN 0.464 nan 8.190 nan 0.000 0.462 166 A N 0.254 123.032 122.820 -0.070 0.000 1.908 166 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 166 A C 2.314 179.982 177.584 0.141 0.000 1.181 166 A CA 2.022 54.056 52.037 -0.004 0.000 0.627 166 A CB -0.612 18.380 19.000 -0.014 0.000 0.818 166 A HN 0.568 nan 8.150 nan 0.000 0.445 167 R N -0.828 119.749 120.500 0.128 0.000 2.081 167 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 167 R C 2.091 178.459 176.300 0.114 0.000 1.131 167 R CA 1.481 57.680 56.100 0.165 0.000 0.960 167 R CB -0.604 29.795 30.300 0.164 0.000 0.856 167 R HN 0.395 nan 8.270 nan 0.000 0.436 168 V N 1.017 120.998 119.914 0.110 0.000 2.287 168 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 168 V C 2.461 178.553 176.094 -0.003 0.000 1.053 168 V CA 2.051 64.392 62.300 0.069 0.000 1.027 168 V CB -0.738 31.132 31.823 0.078 0.000 0.646 168 V HN 0.439 nan 8.190 nan 0.000 0.447 169 A N -0.518 122.271 122.820 -0.051 0.000 1.883 169 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 169 A C 2.034 179.457 177.584 -0.269 0.000 1.186 169 A CA 2.026 53.961 52.037 -0.170 0.000 0.624 169 A CB -0.821 18.035 19.000 -0.240 0.000 0.822 169 A HN 0.471 nan 8.150 nan 0.000 0.444 170 F N -0.220 119.553 119.950 -0.295 0.000 2.216 170 F HA -0.120 4.405 4.527 -0.002 0.000 0.300 170 F C 2.393 177.955 175.800 -0.396 0.000 1.085 170 F CA 1.739 59.432 58.000 -0.511 0.000 1.326 170 F CB -0.304 37.979 39.000 -1.195 0.000 1.027 170 F HN 0.273 nan 8.300 nan 0.000 0.497 171 E N 0.168 120.319 120.200 -0.081 0.000 2.028 171 E HA -0.098 4.251 4.350 -0.001 0.000 0.190 171 E C 2.328 178.969 176.600 0.068 0.000 0.984 171 E CA 1.210 57.633 56.400 0.039 0.000 0.800 171 E CB -0.456 29.299 29.700 0.092 0.000 0.758 171 E HN 0.199 nan 8.360 nan 0.000 0.448 172 A N 0.868 123.726 122.820 0.064 0.000 1.908 172 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 172 A C 2.413 180.034 177.584 0.062 0.000 1.181 172 A CA 2.285 54.393 52.037 0.118 0.000 0.627 172 A CB -1.111 17.940 19.000 0.084 0.000 0.818 172 A HN 0.357 nan 8.150 nan 0.000 0.445 173 A N -0.390 122.426 122.820 -0.006 0.000 1.940 173 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 173 A C 2.209 179.816 177.584 0.038 0.000 1.176 173 A CA 1.525 53.556 52.037 -0.010 0.000 0.631 173 A CB -0.525 18.427 19.000 -0.081 0.000 0.814 173 A HN 0.548 nan 8.150 nan 0.000 0.446 174 R N -0.368 120.167 120.500 0.059 0.000 2.127 174 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 174 R C 1.688 178.027 176.300 0.064 0.000 1.134 174 R CA 1.647 57.798 56.100 0.084 0.000 0.975 174 R CB -0.232 30.139 30.300 0.119 0.000 0.865 174 R HN 0.529 nan 8.270 nan 0.000 0.447 175 K N -0.536 119.897 120.400 0.055 0.000 2.400 175 K HA 0.039 4.358 4.320 -0.001 0.000 0.194 175 K C 1.461 178.079 176.600 0.029 0.000 1.033 175 K CA 0.386 56.693 56.287 0.034 0.000 1.021 175 K CB 0.391 32.900 32.500 0.016 0.000 0.808 175 K HN 0.091 nan 8.250 nan 0.000 0.505 176 R N 0.066 120.589 120.500 0.038 0.000 1.888 176 R HA 0.287 4.626 4.340 -0.001 0.000 0.123 176 R C 1.146 177.467 176.300 0.035 0.000 1.949 176 R CA -0.231 55.889 56.100 0.033 0.000 1.713 176 R CB 0.192 30.514 30.300 0.037 0.000 1.367 176 R HN -0.130 nan 8.270 nan 0.000 0.489 177 R N 0.797 121.323 120.500 0.043 0.000 2.509 177 R HA 0.228 4.567 4.340 -0.001 0.000 0.300 177 R C -0.442 175.900 176.300 0.071 0.000 0.985 177 R CA -0.019 56.109 56.100 0.047 0.000 1.092 177 R CB 0.580 30.906 30.300 0.044 0.000 1.237 177 R HN 0.341 nan 8.270 nan 0.000 0.546 178 K N 1.172 121.617 120.400 0.074 0.000 3.125 178 K HA -0.219 4.100 4.320 -0.001 0.000 0.268 178 K C -0.868 175.819 176.600 0.145 0.000 1.078 178 K CA 0.812 57.155 56.287 0.094 0.000 0.775 178 K CB -1.548 31.005 32.500 0.088 0.000 1.253 178 K HN 0.459 nan 8.250 nan 0.000 0.486 179 H N -0.807 118.258 119.070 -0.008 0.000 2.934 179 H HA 0.383 4.939 4.556 -0.001 0.000 0.340 179 H C -1.468 173.823 175.328 -0.063 0.000 1.008 179 H CA -0.747 55.287 56.048 -0.024 0.000 1.317 179 H CB 1.341 31.091 29.762 -0.020 0.000 1.670 179 H HN -0.040 nan 8.280 nan 0.000 0.516 180 V N 5.946 125.544 119.914 -0.526 0.000 2.495 180 V HA 0.258 4.377 4.120 -0.001 0.000 0.298 180 V C -0.194 175.555 176.094 -0.575 0.000 1.031 180 V CA -0.753 61.208 62.300 -0.565 0.000 0.871 180 V CB 1.825 33.231 31.823 -0.694 0.000 0.988 180 V HN 0.507 nan 8.190 nan 0.000 0.432 181 V N 3.744 123.411 119.914 -0.412 0.000 2.347 181 V HA 0.410 4.529 4.120 -0.001 0.000 0.280 181 V C 0.320 176.323 176.094 -0.152 0.000 1.021 181 V CA -0.238 61.923 62.300 -0.231 0.000 0.847 181 V CB 1.676 33.453 31.823 -0.075 0.000 0.990 181 V HN 0.864 nan 8.190 nan 0.000 0.444 182 S N 4.300 119.951 115.700 -0.082 0.000 2.525 182 S HA 0.661 5.130 4.470 -0.001 0.000 0.278 182 S C -0.554 174.142 174.600 0.160 0.000 1.234 182 S CA -0.416 57.865 58.200 0.135 0.000 1.058 182 S CB 1.166 64.561 63.200 0.324 0.000 0.983 182 S HN 0.494 nan 8.310 nan 0.000 0.495 183 V N 5.406 125.380 119.914 0.100 0.000 2.487 183 V HA 0.543 4.662 4.120 -0.001 0.000 0.298 183 V C -0.664 175.356 176.094 -0.125 0.000 1.028 183 V CA -0.685 61.598 62.300 -0.030 0.000 0.860 183 V CB 1.550 33.314 31.823 -0.098 0.000 0.991 183 V HN 1.033 nan 8.190 nan 0.000 0.427 184 D N 3.628 123.999 120.400 -0.048 0.000 2.744 184 D HA 0.513 5.152 4.640 -0.001 0.000 0.304 184 D C -0.580 175.781 176.300 0.102 0.000 1.179 184 D CA -0.927 53.087 54.000 0.023 0.000 1.024 184 D CB 1.538 42.391 40.800 0.087 0.000 1.453 184 D HN 0.170 nan 8.370 nan 0.000 0.529 185 K N -0.589 119.927 120.400 0.194 0.000 3.174 185 K HA 0.623 4.942 4.320 -0.001 0.000 0.207 185 K C 0.223 176.910 176.600 0.144 0.000 1.190 185 K CA -0.352 56.015 56.287 0.135 0.000 1.054 185 K CB -0.030 32.506 32.500 0.060 0.000 1.154 185 K HN 0.493 nan 8.250 nan 0.000 0.495 186 A N 0.878 123.869 122.820 0.285 0.000 2.209 186 A HA -0.096 4.223 4.320 -0.001 0.000 0.212 186 A C 1.180 178.851 177.584 0.146 0.000 1.158 186 A CA 1.078 53.254 52.037 0.232 0.000 0.742 186 A CB -0.465 18.680 19.000 0.241 0.000 0.790 186 A HN 0.613 nan 8.150 nan 0.000 0.472 187 N N -0.870 117.814 118.700 -0.026 0.000 2.299 187 N HA 0.029 4.768 4.740 -0.001 0.000 0.187 187 N C 0.764 176.207 175.510 -0.113 0.000 1.099 187 N CA 1.231 54.205 53.050 -0.128 0.000 0.867 187 N CB 0.051 38.323 38.487 -0.358 0.000 0.974 187 N HN 0.222 nan 8.380 nan 0.000 0.477 188 V N -0.296 119.566 119.914 -0.086 0.000 3.219 188 V HA 0.330 4.449 4.120 -0.001 0.000 0.240 188 V C 0.633 176.732 176.094 0.009 0.000 1.222 188 V CA 0.173 62.445 62.300 -0.046 0.000 1.181 188 V CB 0.409 32.195 31.823 -0.062 0.000 0.941 188 V HN 0.063 nan 8.190 nan 0.000 0.471 189 L N 0.406 121.655 121.223 0.044 0.000 2.329 189 L HA 0.455 4.794 4.340 -0.001 0.000 0.279 189 L C 1.154 178.086 176.870 0.102 0.000 1.014 189 L CA -0.488 54.397 54.840 0.074 0.000 0.814 189 L CB 2.111 44.230 42.059 0.101 0.000 1.257 189 L HN 0.017 nan 8.230 nan 0.000 0.424 190 E N 1.572 121.827 120.200 0.092 0.000 2.070 190 E HA -0.192 4.158 4.350 -0.001 0.000 0.197 190 E C 1.873 178.584 176.600 0.184 0.000 1.004 190 E CA 1.212 57.680 56.400 0.114 0.000 0.805 190 E CB -0.090 29.653 29.700 0.071 0.000 0.744 190 E HN 0.529 nan 8.360 nan 0.000 0.451 191 V N 0.329 120.346 119.914 0.173 0.000 2.332 191 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 191 V C 2.242 178.545 176.094 0.348 0.000 1.055 191 V CA 2.026 64.481 62.300 0.258 0.000 1.038 191 V CB -1.172 30.769 31.823 0.197 0.000 0.651 191 V HN 0.452 nan 8.190 nan 0.000 0.450 192 G N -0.978 107.977 108.800 0.259 0.000 2.402 192 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 192 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 192 G C 1.531 176.600 174.900 0.281 0.000 1.162 192 G CA 0.871 46.128 45.100 0.262 0.000 0.777 192 G HN 0.555 nan 8.290 nan 0.000 0.539 193 E N -0.576 119.766 120.200 0.236 0.000 2.051 193 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 193 E C 2.058 178.786 176.600 0.214 0.000 0.991 193 E CA 0.772 57.285 56.400 0.189 0.000 0.799 193 E CB -0.247 29.548 29.700 0.159 0.000 0.748 193 E HN 0.378 nan 8.360 nan 0.000 0.449 194 F N 0.875 120.908 119.950 0.139 0.000 2.095 194 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 194 F C 2.117 178.000 175.800 0.140 0.000 1.104 194 F CA 1.836 59.910 58.000 0.123 0.000 1.232 194 F CB -0.470 38.611 39.000 0.135 0.000 0.987 194 F HN 0.260 nan 8.300 nan 0.000 0.475 195 W N 2.077 123.428 121.300 0.085 0.000 2.317 195 W HA -0.305 4.354 4.660 -0.002 0.000 0.318 195 W C 2.647 179.108 176.519 -0.097 0.000 1.227 195 W CA 2.579 59.902 57.345 -0.037 0.000 1.269 195 W CB -0.933 28.547 29.460 0.033 0.000 1.155 195 W HN 0.131 nan 8.180 nan 0.000 0.484 196 R N 1.110 121.748 120.500 0.229 0.000 2.083 196 R HA -0.240 4.099 4.340 -0.001 0.000 0.237 196 R C 2.548 178.778 176.300 -0.117 0.000 1.137 196 R CA 2.404 58.501 56.100 -0.005 0.000 0.951 196 R CB -0.780 29.414 30.300 -0.176 0.000 0.851 196 R HN 0.122 nan 8.270 nan 0.000 0.434 197 K N -0.349 119.977 120.400 -0.124 0.000 2.020 197 K HA -0.147 4.172 4.320 -0.001 0.000 0.212 197 K C 1.735 178.219 176.600 -0.194 0.000 1.050 197 K CA 2.234 58.436 56.287 -0.143 0.000 0.929 197 K CB -0.267 32.147 32.500 -0.144 0.000 0.714 197 K HN 0.187 nan 8.250 nan 0.000 0.443 198 T N 0.971 115.317 114.554 -0.346 0.000 2.708 198 T HA -0.108 4.241 4.350 -0.001 0.000 0.266 198 T C 1.974 176.530 174.700 -0.240 0.000 1.037 198 T CA 1.562 63.436 62.100 -0.376 0.000 1.146 198 T CB -0.248 68.269 68.868 -0.586 0.000 0.865 198 T HN 0.060 nan 8.240 nan 0.000 0.435 199 V N 1.644 121.421 119.914 -0.229 0.000 2.407 199 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 199 V C 2.740 178.901 176.094 0.111 0.000 1.055 199 V CA 1.472 63.743 62.300 -0.048 0.000 1.049 199 V CB -0.562 31.264 31.823 0.004 0.000 0.662 199 V HN 0.394 nan 8.190 nan 0.000 0.455 200 E N 0.123 120.393 120.200 0.117 0.000 2.070 200 E HA -0.285 4.064 4.350 -0.001 0.000 0.197 200 E C 2.267 178.887 176.600 0.034 0.000 1.004 200 E CA 1.913 58.394 56.400 0.136 0.000 0.805 200 E CB -0.160 29.606 29.700 0.110 0.000 0.744 200 E HN 0.814 nan 8.360 nan 0.000 0.451 201 E N 0.315 120.498 120.200 -0.029 0.000 2.106 201 E HA -0.120 4.230 4.350 -0.001 0.000 0.192 201 E C 2.185 178.735 176.600 -0.083 0.000 0.984 201 E CA 0.955 57.319 56.400 -0.061 0.000 0.806 201 E CB 0.144 29.792 29.700 -0.087 0.000 0.750 201 E HN -0.010 nan 8.360 nan 0.000 0.458 202 V N 1.051 120.914 119.914 -0.085 0.000 2.261 202 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 202 V C 2.485 178.442 176.094 -0.229 0.000 1.047 202 V CA 2.023 64.260 62.300 -0.105 0.000 1.015 202 V CB -1.065 30.738 31.823 -0.034 0.000 0.642 202 V HN 0.579 nan 8.190 nan 0.000 0.446 203 G N -0.623 107.985 108.800 -0.320 0.000 2.517 203 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.222 203 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.222 203 G C 1.695 176.466 174.900 -0.215 0.000 1.109 203 G CA 0.773 45.575 45.100 -0.496 0.000 0.746 203 G HN 0.435 nan 8.290 nan 0.000 0.576 204 R N -0.074 120.345 120.500 -0.136 0.000 2.193 204 R HA -0.048 4.291 4.340 -0.001 0.000 0.229 204 R C 2.740 178.942 176.300 -0.165 0.000 1.110 204 R CA 0.760 56.796 56.100 -0.106 0.000 0.988 204 R CB -0.301 29.951 30.300 -0.080 0.000 0.871 204 R HN 0.368 nan 8.270 nan 0.000 0.458 205 G N -0.773 107.871 108.800 -0.261 0.000 2.598 205 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.215 205 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.215 205 G C 0.053 174.536 174.900 -0.695 0.000 1.131 205 G CA 0.291 45.109 45.100 -0.470 0.000 0.785 205 G HN 0.257 nan 8.290 nan 0.000 0.539 206 Y N 0.351 120.497 120.300 -0.256 0.000 2.658 206 Y HA 0.300 4.848 4.550 -0.002 0.000 0.362 206 Y C -1.489 174.367 175.900 -0.073 0.000 1.017 206 Y CA -2.519 55.484 58.100 -0.162 0.000 1.134 206 Y CB 1.629 39.968 38.460 -0.201 0.000 1.144 206 Y HN 0.007 nan 8.280 nan 0.000 0.655 207 P HA -0.190 nan 4.420 nan 0.000 0.221 207 P C 0.736 178.078 177.300 0.070 0.000 1.145 207 P CA 1.624 64.744 63.100 0.032 0.000 0.795 207 P CB 0.385 32.084 31.700 -0.001 0.000 0.775 208 D N -0.664 119.795 120.400 0.097 0.000 2.340 208 D HA 0.009 4.648 4.640 -0.001 0.000 0.220 208 D C 0.276 176.655 176.300 0.133 0.000 1.039 208 D CA 0.016 54.075 54.000 0.099 0.000 0.866 208 D CB -0.237 40.615 40.800 0.087 0.000 0.913 208 D HN 0.025 nan 8.370 nan 0.000 0.523 209 V N 1.181 121.207 119.914 0.186 0.000 2.417 209 V HA 0.567 4.687 4.120 -0.001 0.000 0.291 209 V C 0.425 176.648 176.094 0.214 0.000 1.024 209 V CA -1.272 61.158 62.300 0.218 0.000 0.861 209 V CB 1.227 33.247 31.823 0.328 0.000 0.985 209 V HN 0.298 nan 8.190 nan 0.000 0.436 210 A N 5.302 128.238 122.820 0.194 0.000 2.401 210 A HA 0.659 4.978 4.320 -0.001 0.000 0.259 210 A C -0.699 177.008 177.584 0.205 0.000 1.103 210 A CA -0.065 52.094 52.037 0.203 0.000 0.789 210 A CB 0.346 19.468 19.000 0.203 0.000 1.035 210 A HN 0.807 nan 8.150 nan 0.000 0.491 211 L N 1.688 122.991 121.223 0.132 0.000 2.362 211 L HA 0.746 5.085 4.340 -0.001 0.000 0.275 211 L C -0.335 176.477 176.870 -0.097 0.000 0.998 211 L CA -0.052 54.795 54.840 0.011 0.000 0.820 211 L CB 1.735 43.857 42.059 0.105 0.000 1.270 211 L HN 0.867 nan 8.230 nan 0.000 0.415 212 E N 2.392 122.444 120.200 -0.246 0.000 2.383 212 E HA 0.471 4.820 4.350 -0.001 0.000 0.275 212 E C -1.694 174.664 176.600 -0.403 0.000 0.918 212 E CA -0.736 55.540 56.400 -0.207 0.000 0.764 212 E CB 1.319 31.040 29.700 0.034 0.000 1.252 212 E HN 0.678 nan 8.360 nan 0.000 0.449 213 H N 1.960 121.029 119.070 -0.001 0.000 2.589 213 H HA 0.375 4.930 4.556 -0.001 0.000 0.351 213 H C -0.752 174.491 175.328 -0.142 0.000 1.074 213 H CA -0.801 55.217 56.048 -0.050 0.000 1.203 213 H CB 1.783 31.514 29.762 -0.051 0.000 1.558 213 H HN 0.381 nan 8.280 nan 0.000 0.522 214 Q N 2.174 121.954 119.800 -0.034 0.000 2.397 214 Q HA 0.265 4.604 4.340 -0.001 0.000 0.275 214 Q C -0.877 175.011 176.000 -0.187 0.000 1.090 214 Q CA -0.931 54.794 55.803 -0.129 0.000 0.809 214 Q CB 2.653 31.416 28.738 0.042 0.000 1.362 214 Q HN 0.487 nan 8.270 nan 0.000 0.431 215 Y N 0.045 120.348 120.300 0.006 0.000 2.304 215 Y HA 0.032 4.582 4.550 -0.001 0.000 0.327 215 Y C 1.585 177.368 175.900 -0.194 0.000 1.209 215 Y CA -0.361 57.684 58.100 -0.091 0.000 1.299 215 Y CB 0.509 38.924 38.460 -0.075 0.000 1.249 215 Y HN 0.502 nan 8.280 nan 0.000 0.519 216 V N 2.565 122.352 119.914 -0.211 0.000 2.324 216 V HA -0.307 3.812 4.120 -0.001 0.000 0.250 216 V C 1.686 177.611 176.094 -0.281 0.000 1.060 216 V CA 2.783 64.819 62.300 -0.439 0.000 1.042 216 V CB -0.356 30.793 31.823 -1.124 0.000 0.650 216 V HN 1.022 nan 8.190 nan 0.000 0.450 217 D N 0.605 120.883 120.400 -0.203 0.000 2.097 217 D HA -0.127 4.512 4.640 -0.001 0.000 0.197 217 D C 2.178 178.398 176.300 -0.133 0.000 0.984 217 D CA 1.639 55.550 54.000 -0.147 0.000 0.826 217 D CB -0.813 39.917 40.800 -0.117 0.000 0.973 217 D HN 0.536 nan 8.370 nan 0.000 0.460 218 A N 0.902 123.669 122.820 -0.089 0.000 1.892 218 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 218 A C 2.329 179.692 177.584 -0.369 0.000 1.188 218 A CA 2.530 54.444 52.037 -0.205 0.000 0.631 218 A CB -0.834 18.140 19.000 -0.043 0.000 0.822 218 A HN 0.236 nan 8.150 nan 0.000 0.447 219 M N 0.010 119.513 119.600 -0.161 0.000 2.267 219 M HA -0.091 4.388 4.480 -0.001 0.000 0.263 219 M C 2.018 178.232 176.300 -0.144 0.000 1.063 219 M CA 1.548 56.782 55.300 -0.110 0.000 1.090 219 M CB -0.504 32.010 32.600 -0.143 0.000 1.392 219 M HN 0.415 nan 8.290 nan 0.000 0.422 220 A N -0.787 121.939 122.820 -0.157 0.000 1.970 220 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 220 A C 2.082 179.608 177.584 -0.096 0.000 1.170 220 A CA 1.430 53.399 52.037 -0.115 0.000 0.645 220 A CB -0.535 18.401 19.000 -0.107 0.000 0.816 220 A HN 0.573 nan 8.150 nan 0.000 0.447 221 M N -1.315 118.191 119.600 -0.156 0.000 2.132 221 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 221 M C 1.987 178.261 176.300 -0.044 0.000 1.065 221 M CA 1.660 56.880 55.300 -0.133 0.000 1.122 221 M CB -0.639 31.839 32.600 -0.202 0.000 1.365 221 M HN 0.584 nan 8.290 nan 0.000 0.411 222 H N 0.128 119.243 119.070 0.074 0.000 2.423 222 H HA -0.019 4.537 4.556 -0.001 0.000 0.297 222 H C 1.937 177.383 175.328 0.197 0.000 1.075 222 H CA 0.861 57.016 56.048 0.178 0.000 1.342 222 H CB -0.064 29.910 29.762 0.353 0.000 1.395 222 H HN 0.270 nan 8.280 nan 0.000 0.530 223 L N 0.270 121.594 121.223 0.169 0.000 2.456 223 L HA -0.096 4.243 4.340 -0.001 0.000 0.224 223 L C 1.449 178.375 176.870 0.094 0.000 1.148 223 L CA 0.261 55.161 54.840 0.101 0.000 0.825 223 L CB 0.172 42.216 42.059 -0.023 0.000 0.937 223 L HN 0.211 nan 8.230 nan 0.000 0.450 224 V N -1.515 118.450 119.914 0.085 0.000 3.048 224 V HA 0.010 4.129 4.120 -0.001 0.000 0.241 224 V C 2.320 178.459 176.094 0.075 0.000 1.129 224 V CA 0.577 62.915 62.300 0.062 0.000 1.128 224 V CB -0.025 31.818 31.823 0.033 0.000 0.849 224 V HN 0.274 nan 8.190 nan 0.000 0.475 225 R N 1.329 121.888 120.500 0.098 0.000 2.090 225 R HA 0.010 4.349 4.340 -0.001 0.000 0.228 225 R C 0.816 177.170 176.300 0.089 0.000 1.110 225 R CA 1.527 57.682 56.100 0.091 0.000 0.973 225 R CB 0.057 30.423 30.300 0.110 0.000 0.869 225 R HN 0.599 nan 8.270 nan 0.000 0.440 226 S N -1.375 114.400 115.700 0.125 0.000 2.680 226 S HA 0.202 4.671 4.470 -0.001 0.000 0.153 226 S C -2.275 172.403 174.600 0.131 0.000 1.224 226 S CA -1.008 57.239 58.200 0.077 0.000 1.197 226 S CB 1.279 64.490 63.200 0.018 0.000 1.634 226 S HN -0.058 nan 8.310 nan 0.000 0.422 227 P HA 0.070 nan 4.420 nan 0.000 0.226 227 P C 1.360 178.787 177.300 0.212 0.000 1.153 227 P CA 0.991 64.251 63.100 0.267 0.000 0.777 227 P CB -0.077 31.717 31.700 0.158 0.000 0.794 228 A N 0.973 123.833 122.820 0.067 0.000 2.206 228 A HA -0.093 4.226 4.320 -0.001 0.000 0.211 228 A C 2.117 179.659 177.584 -0.070 0.000 1.158 228 A CA 0.381 52.424 52.037 0.010 0.000 0.761 228 A CB -0.927 18.066 19.000 -0.012 0.000 0.801 228 A HN 0.287 nan 8.150 nan 0.000 0.473 229 R N -1.922 118.446 120.500 -0.220 0.000 2.310 229 R HA 0.253 4.592 4.340 -0.001 0.000 0.202 229 R C -0.561 175.478 176.300 -0.435 0.000 0.933 229 R CA -0.093 55.777 56.100 -0.383 0.000 1.054 229 R CB -0.310 29.692 30.300 -0.497 0.000 0.985 229 R HN 0.304 nan 8.270 nan 0.000 0.489 230 F N 0.442 120.410 119.950 0.031 0.000 2.403 230 F HA 0.281 4.808 4.527 -0.001 0.000 0.326 230 F C 0.999 176.830 175.800 0.052 0.000 1.081 230 F CA -1.070 56.965 58.000 0.059 0.000 1.041 230 F CB 1.305 40.312 39.000 0.011 0.000 1.234 230 F HN -0.125 nan 8.300 nan 0.000 0.503 231 D N -0.119 120.436 120.400 0.258 0.000 3.137 231 D HA 0.167 4.806 4.640 -0.001 0.000 0.236 231 D C -0.825 175.503 176.300 0.047 0.000 1.557 231 D CA 0.591 54.667 54.000 0.126 0.000 1.305 231 D CB 0.227 41.104 40.800 0.128 0.000 1.065 231 D HN 0.089 nan 8.370 nan 0.000 0.290 232 V N 1.689 121.583 119.914 -0.033 0.000 2.483 232 V HA 0.576 4.695 4.120 -0.001 0.000 0.295 232 V C -0.327 175.681 176.094 -0.144 0.000 1.035 232 V CA -0.799 61.446 62.300 -0.092 0.000 0.896 232 V CB 1.775 33.511 31.823 -0.145 0.000 0.986 232 V HN 0.153 nan 8.190 nan 0.000 0.447 233 V N 5.099 124.936 119.914 -0.128 0.000 2.487 233 V HA 0.521 4.640 4.120 -0.001 0.000 0.298 233 V C -0.373 175.661 176.094 -0.101 0.000 1.028 233 V CA -0.658 61.552 62.300 -0.150 0.000 0.860 233 V CB 1.954 33.658 31.823 -0.199 0.000 0.991 233 V HN 0.620 nan 8.190 nan 0.000 0.427 234 V N 4.735 124.607 119.914 -0.070 0.000 2.555 234 V HA 0.910 5.029 4.120 -0.001 0.000 0.302 234 V C -0.252 175.937 176.094 0.159 0.000 1.038 234 V CA 0.410 62.731 62.300 0.034 0.000 0.887 234 V CB 2.048 33.870 31.823 -0.002 0.000 0.991 234 V HN 1.080 nan 8.190 nan 0.000 0.434 235 T N 3.401 118.064 114.554 0.182 0.000 2.739 235 T HA 0.634 4.983 4.350 -0.001 0.000 0.303 235 T C 0.053 174.693 174.700 -0.100 0.000 1.389 235 T CA 0.181 62.281 62.100 -0.001 0.000 1.001 235 T CB 1.327 70.161 68.868 -0.056 0.000 1.436 235 T HN 1.152 nan 8.240 nan 0.000 0.500 236 G N 1.188 109.607 108.800 -0.634 0.000 2.588 236 G HA2 0.249 4.208 3.960 -0.001 0.000 0.278 236 G HA3 0.249 4.208 3.960 -0.001 0.000 0.278 236 G C 0.936 175.757 174.900 -0.133 0.000 1.307 236 G CA -0.148 44.693 45.100 -0.431 0.000 1.016 236 G HN 0.674 nan 8.290 nan 0.000 0.503 237 N N -0.694 117.999 118.700 -0.012 0.000 2.022 237 N HA -0.118 4.621 4.740 -0.001 0.000 0.194 237 N C 2.316 177.668 175.510 -0.262 0.000 1.057 237 N CA 1.387 54.398 53.050 -0.064 0.000 0.849 237 N CB -0.393 38.084 38.487 -0.016 0.000 1.044 237 N HN 0.482 nan 8.380 nan 0.000 0.424 238 I N 0.117 120.333 120.570 -0.590 0.000 2.208 238 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 238 I C 1.596 177.669 176.117 -0.074 0.000 1.097 238 I CA 1.233 62.235 61.300 -0.497 0.000 1.363 238 I CB -0.145 37.512 38.000 -0.573 0.000 1.051 238 I HN -0.007 nan 8.210 nan 0.000 0.413 239 F N 1.083 120.935 119.950 -0.163 0.000 2.134 239 F HA -0.072 4.454 4.527 -0.002 0.000 0.299 239 F C 2.592 178.332 175.800 -0.099 0.000 1.097 239 F CA 1.035 58.955 58.000 -0.134 0.000 1.264 239 F CB -1.938 36.949 39.000 -0.189 0.000 1.001 239 F HN 0.112 nan 8.300 nan 0.000 0.479 240 G N -0.816 108.039 108.800 0.091 0.000 2.422 240 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 240 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 240 G C 1.471 176.409 174.900 0.064 0.000 1.140 240 G CA 0.945 46.078 45.100 0.055 0.000 0.775 240 G HN 0.284 nan 8.290 nan 0.000 0.545 241 D N 0.950 121.403 120.400 0.087 0.000 2.092 241 D HA -0.099 4.541 4.640 -0.001 0.000 0.193 241 D C 2.535 178.886 176.300 0.086 0.000 0.994 241 D CA 0.780 54.849 54.000 0.116 0.000 0.828 241 D CB -0.258 40.665 40.800 0.205 0.000 0.963 241 D HN 0.356 nan 8.370 nan 0.000 0.450 242 I N -0.024 120.598 120.570 0.087 0.000 2.252 242 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 242 I C 2.478 178.610 176.117 0.026 0.000 1.102 242 I CA 0.540 61.876 61.300 0.060 0.000 1.385 242 I CB -0.091 37.948 38.000 0.065 0.000 1.064 242 I HN 0.058 nan 8.210 nan 0.000 0.414 243 L N 0.180 121.413 121.223 0.017 0.000 2.131 243 L HA -0.119 4.220 4.340 -0.001 0.000 0.206 243 L C 2.760 179.617 176.870 -0.021 0.000 1.087 243 L CA 1.388 56.213 54.840 -0.025 0.000 0.767 243 L CB -0.451 41.575 42.059 -0.056 0.000 0.917 243 L HN 0.348 nan 8.230 nan 0.000 0.441 244 S N -1.534 114.166 115.700 -0.000 0.000 2.414 244 S HA -0.127 4.342 4.470 -0.001 0.000 0.227 244 S C 1.467 176.073 174.600 0.011 0.000 1.022 244 S CA 0.777 58.978 58.200 0.001 0.000 0.958 244 S CB -0.247 62.958 63.200 0.009 0.000 0.797 244 S HN 0.319 nan 8.310 nan 0.000 0.493 245 D N 1.450 121.862 120.400 0.020 0.000 2.178 245 D HA 0.023 4.662 4.640 -0.001 0.000 0.202 245 D C 1.804 178.113 176.300 0.014 0.000 0.974 245 D CA 0.561 54.574 54.000 0.022 0.000 0.841 245 D CB -0.406 40.411 40.800 0.028 0.000 0.953 245 D HN 0.346 nan 8.370 nan 0.000 0.478 246 L N 1.209 122.436 121.223 0.006 0.000 1.994 246 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 246 L C 2.179 179.050 176.870 0.001 0.000 1.071 246 L CA 1.891 56.730 54.840 -0.001 0.000 0.745 246 L CB -0.997 41.053 42.059 -0.015 0.000 0.892 246 L HN -0.020 nan 8.230 nan 0.000 0.431 247 A N -0.663 122.154 122.820 -0.006 0.000 1.917 247 A HA -0.307 4.012 4.320 -0.001 0.000 0.219 247 A C 2.513 180.105 177.584 0.013 0.000 1.182 247 A CA 2.619 54.656 52.037 -0.001 0.000 0.633 247 A CB -1.424 17.568 19.000 -0.013 0.000 0.819 247 A HN 0.715 nan 8.150 nan 0.000 0.448 248 S N 0.054 115.764 115.700 0.017 0.000 2.440 248 S HA -0.149 4.320 4.470 -0.001 0.000 0.238 248 S C 1.757 176.376 174.600 0.032 0.000 1.010 248 S CA 1.732 59.949 58.200 0.027 0.000 0.972 248 S CB -1.203 62.014 63.200 0.029 0.000 0.774 248 S HN 1.261 nan 8.310 nan 0.000 0.501 249 V N -0.299 119.631 119.914 0.027 0.000 3.041 249 V HA 0.180 4.299 4.120 -0.001 0.000 0.260 249 V C 2.136 178.248 176.094 0.030 0.000 1.105 249 V CA 0.930 63.247 62.300 0.028 0.000 1.125 249 V CB -1.033 30.803 31.823 0.022 0.000 0.730 249 V HN 0.520 nan 8.190 nan 0.000 0.479 250 L N 0.123 121.364 121.223 0.029 0.000 2.079 250 L HA -0.038 4.301 4.340 -0.001 0.000 0.210 250 L C 0.129 177.021 176.870 0.036 0.000 1.081 250 L CA 1.763 56.621 54.840 0.031 0.000 0.752 250 L CB -1.895 40.181 42.059 0.029 0.000 0.896 250 L HN 0.395 nan 8.230 nan 0.000 0.433 251 P HA -0.031 nan 4.420 nan 0.000 0.222 251 P C 1.019 178.354 177.300 0.059 0.000 1.153 251 P CA 1.603 64.739 63.100 0.061 0.000 0.798 251 P CB 0.160 31.910 31.700 0.084 0.000 0.796 252 G N -1.649 107.179 108.800 0.048 0.000 2.175 252 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.244 252 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.244 252 G C 0.198 175.118 174.900 0.033 0.000 0.982 252 G CA 0.119 45.241 45.100 0.038 0.000 0.641 252 G HN 0.624 nan 8.290 nan 0.000 0.527 253 S N -1.004 114.722 115.700 0.042 0.000 2.572 253 S HA 0.601 5.070 4.470 -0.001 0.000 0.274 253 S C 1.252 175.883 174.600 0.052 0.000 1.150 253 S CA -0.199 58.020 58.200 0.032 0.000 0.944 253 S CB 1.138 64.344 63.200 0.010 0.000 1.071 253 S HN 0.491 nan 8.310 nan 0.000 0.479 254 L N 3.967 125.220 121.223 0.051 0.000 2.187 254 L HA 0.027 4.366 4.340 -0.001 0.000 0.213 254 L C 2.534 179.488 176.870 0.140 0.000 1.100 254 L CA 1.670 56.564 54.840 0.089 0.000 0.765 254 L CB -0.385 41.724 42.059 0.083 0.000 0.904 254 L HN 0.864 nan 8.230 nan 0.000 0.437 255 G N -0.637 108.208 108.800 0.075 0.000 2.776 255 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.209 255 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.209 255 G C 1.311 176.270 174.900 0.098 0.000 1.145 255 G CA 0.096 45.246 45.100 0.084 0.000 0.791 255 G HN 0.341 nan 8.290 nan 0.000 0.530 256 L N -0.228 121.058 121.223 0.105 0.000 2.693 256 L HA 0.401 4.740 4.340 -0.001 0.000 0.235 256 L C 0.110 177.076 176.870 0.160 0.000 1.127 256 L CA -0.082 54.837 54.840 0.133 0.000 0.914 256 L CB 0.329 42.487 42.059 0.165 0.000 1.193 256 L HN 0.024 nan 8.230 nan 0.000 0.502 257 L N 2.715 124.016 121.223 0.129 0.000 2.262 257 L HA 0.437 4.776 4.340 -0.001 0.000 0.288 257 L C -2.340 174.572 176.870 0.071 0.000 1.035 257 L CA -1.699 53.201 54.840 0.100 0.000 0.820 257 L CB 0.984 43.091 42.059 0.079 0.000 1.204 257 L HN -0.191 nan 8.230 nan 0.000 0.424 258 P HA 0.342 nan 4.420 nan 0.000 0.283 258 P C -0.912 176.429 177.300 0.068 0.000 1.271 258 P CA -0.683 62.465 63.100 0.080 0.000 0.841 258 P CB 2.090 33.861 31.700 0.119 0.000 1.122 259 S N -0.567 115.179 115.700 0.076 0.000 2.566 259 S HA 0.704 5.173 4.470 -0.001 0.000 0.273 259 S C -1.683 172.944 174.600 0.046 0.000 1.157 259 S CA -0.538 57.684 58.200 0.037 0.000 0.938 259 S CB 0.514 63.709 63.200 -0.008 0.000 1.087 259 S HN 0.609 nan 8.310 nan 0.000 0.474 260 A N 2.857 125.658 122.820 -0.032 0.000 2.356 260 A HA 0.825 5.144 4.320 -0.001 0.000 0.310 260 A C -0.637 176.750 177.584 -0.328 0.000 1.075 260 A CA -0.563 51.345 52.037 -0.216 0.000 0.746 260 A CB 1.792 20.782 19.000 -0.017 0.000 1.221 260 A HN 0.637 nan 8.150 nan 0.000 0.443 261 S N 1.672 117.077 115.700 -0.491 0.000 2.552 261 S HA 0.687 5.156 4.470 -0.001 0.000 0.314 261 S C -0.555 173.766 174.600 -0.464 0.000 1.099 261 S CA -0.353 57.618 58.200 -0.383 0.000 1.070 261 S CB 0.416 63.438 63.200 -0.297 0.000 0.998 261 S HN 0.570 nan 8.310 nan 0.000 0.474 262 L N 2.213 123.181 121.223 -0.425 0.000 2.301 262 L HA 1.012 5.351 4.340 -0.001 0.000 0.264 262 L C 0.726 177.182 176.870 -0.691 0.000 1.016 262 L CA -0.786 53.780 54.840 -0.457 0.000 0.821 262 L CB 1.966 43.805 42.059 -0.366 0.000 1.346 262 L HN 0.809 nan 8.230 nan 0.000 0.429 263 G N 0.044 108.431 108.800 -0.689 0.000 2.485 263 G HA2 0.158 4.117 3.960 -0.001 0.000 0.182 263 G HA3 0.158 4.117 3.960 -0.001 0.000 0.182 263 G C -0.097 174.609 174.900 -0.322 0.000 1.172 263 G CA -0.570 43.956 45.100 -0.956 0.000 0.996 263 G HN 0.430 nan 8.290 nan 0.000 0.496 264 R N 0.127 120.579 120.500 -0.080 0.000 2.140 264 R HA 0.205 4.544 4.340 -0.001 0.000 0.213 264 R C 1.775 178.060 176.300 -0.025 0.000 1.059 264 R CA 0.941 57.058 56.100 0.028 0.000 1.000 264 R CB -0.047 30.315 30.300 0.102 0.000 0.910 264 R HN 0.478 nan 8.270 nan 0.000 0.455 265 G N 0.195 108.960 108.800 -0.058 0.000 2.829 265 G HA2 0.082 4.041 3.960 -0.001 0.000 0.173 265 G HA3 0.082 4.041 3.960 -0.001 0.000 0.173 265 G C -0.504 174.347 174.900 -0.082 0.000 1.476 265 G CA -0.368 44.699 45.100 -0.055 0.000 1.072 265 G HN -0.009 nan 8.290 nan 0.000 0.577 266 T N 3.243 117.750 114.554 -0.080 0.000 2.761 266 T HA 0.401 4.750 4.350 -0.001 0.000 0.296 266 T C -2.204 172.416 174.700 -0.133 0.000 0.934 266 T CA -0.619 61.432 62.100 -0.081 0.000 1.091 266 T CB 1.439 70.275 68.868 -0.054 0.000 0.896 266 T HN 0.250 nan 8.240 nan 0.000 0.515 267 P HA 0.226 nan 4.420 nan 0.000 0.269 267 P C -0.876 176.184 177.300 -0.400 0.000 1.209 267 P CA -0.318 62.601 63.100 -0.301 0.000 0.776 267 P CB 0.677 32.267 31.700 -0.184 0.000 0.876 268 V N 3.836 123.338 119.914 -0.687 0.000 2.487 268 V HA 0.396 4.515 4.120 -0.001 0.000 0.298 268 V C -0.368 175.248 176.094 -0.797 0.000 1.028 268 V CA -0.321 61.664 62.300 -0.525 0.000 0.860 268 V CB 0.898 32.520 31.823 -0.334 0.000 0.991 268 V HN 0.330 nan 8.190 nan 0.000 0.427 269 F N 3.600 123.520 119.950 -0.051 0.000 2.467 269 F HA 0.737 5.263 4.527 -0.002 0.000 0.336 269 F C 0.251 176.032 175.800 -0.032 0.000 1.123 269 F CA -0.507 57.477 58.000 -0.026 0.000 0.964 269 F CB 1.787 40.794 39.000 0.012 0.000 1.136 269 F HN 0.622 nan 8.300 nan 0.000 0.447 270 E N 2.762 123.021 120.200 0.099 0.000 2.390 270 E HA 0.520 4.869 4.350 -0.001 0.000 0.280 270 E C -3.381 173.202 176.600 -0.028 0.000 0.992 270 E CA -2.614 53.796 56.400 0.017 0.000 0.790 270 E CB 2.531 32.213 29.700 -0.031 0.000 1.248 270 E HN 0.126 nan 8.360 nan 0.000 0.447 271 P HA -0.013 nan 4.420 nan 0.000 0.269 271 P C 0.705 177.863 177.300 -0.237 0.000 1.215 271 P CA -0.366 62.577 63.100 -0.263 0.000 0.780 271 P CB 0.858 32.120 31.700 -0.729 0.000 0.898 272 V N 0.876 120.697 119.914 -0.155 0.000 2.453 272 V HA -0.148 3.971 4.120 -0.001 0.000 0.247 272 V C 1.166 177.240 176.094 -0.033 0.000 1.048 272 V CA 1.555 63.820 62.300 -0.059 0.000 1.049 272 V CB -1.732 30.096 31.823 0.008 0.000 0.672 272 V HN 0.736 nan 8.190 nan 0.000 0.457 273 H N -0.238 118.852 119.070 0.034 0.000 2.822 273 H HA 0.472 5.027 4.556 -0.001 0.000 0.373 273 H C 0.603 175.952 175.328 0.034 0.000 1.223 273 H CA 0.097 56.163 56.048 0.031 0.000 1.436 273 H CB 0.002 29.779 29.762 0.026 0.000 1.439 273 H HN 0.128 nan 8.280 nan 0.000 0.618 274 G N -0.728 108.234 108.800 0.270 0.000 2.543 274 G HA2 0.259 4.218 3.960 -0.001 0.000 0.267 274 G HA3 0.259 4.218 3.960 -0.001 0.000 0.267 274 G C 0.721 175.769 174.900 0.246 0.000 1.406 274 G CA -0.358 44.859 45.100 0.195 0.000 1.048 274 G HN 0.830 nan 8.290 nan 0.000 0.548 275 S N -1.147 114.647 115.700 0.157 0.000 2.522 275 S HA 0.301 4.770 4.470 -0.001 0.000 0.227 275 S C 1.481 176.142 174.600 0.102 0.000 0.986 275 S CA 1.038 59.325 58.200 0.144 0.000 0.929 275 S CB -0.322 62.966 63.200 0.146 0.000 0.769 275 S HN 2.150 nan 8.310 nan 0.000 0.529 276 A N 2.584 125.447 122.820 0.072 0.000 2.091 276 A HA -0.092 4.228 4.320 -0.001 0.000 0.270 276 A C -0.649 176.953 177.584 0.030 0.000 1.368 276 A CA 0.558 52.608 52.037 0.022 0.000 0.745 276 A CB -1.482 17.492 19.000 -0.044 0.000 1.173 276 A HN 0.551 nan 8.150 nan 0.000 0.322 277 P HA -0.081 nan 4.420 nan 0.000 0.229 277 P C 0.828 178.139 177.300 0.019 0.000 1.160 277 P CA 1.178 64.304 63.100 0.043 0.000 0.777 277 P CB -0.015 31.713 31.700 0.047 0.000 0.814 278 D N 0.905 121.310 120.400 0.008 0.000 2.310 278 D HA -0.138 4.501 4.640 -0.001 0.000 0.212 278 D C 1.697 177.994 176.300 -0.005 0.000 0.965 278 D CA 0.872 54.871 54.000 -0.002 0.000 0.879 278 D CB -0.920 39.876 40.800 -0.006 0.000 0.921 278 D HN 0.366 nan 8.370 nan 0.000 0.510 279 I N -4.067 116.498 120.570 -0.007 0.000 4.240 279 I HA 0.464 4.633 4.170 -0.001 0.000 0.331 279 I C 0.606 176.722 176.117 -0.001 0.000 1.381 279 I CA -0.729 60.564 61.300 -0.011 0.000 1.136 279 I CB 0.082 38.065 38.000 -0.028 0.000 1.137 279 I HN -0.108 nan 8.210 nan 0.000 0.411 280 A N 2.208 125.035 122.820 0.013 0.000 2.580 280 A HA 0.346 4.665 4.320 -0.001 0.000 0.244 280 A C 1.555 179.155 177.584 0.026 0.000 1.045 280 A CA 1.107 53.161 52.037 0.029 0.000 0.761 280 A CB -0.871 18.161 19.000 0.053 0.000 0.962 280 A HN 1.308 nan 8.150 nan 0.000 0.512 281 G N 2.096 110.913 108.800 0.027 0.000 2.143 281 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.249 281 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.249 281 G C 0.535 175.445 174.900 0.017 0.000 0.981 281 G CA 0.691 45.806 45.100 0.026 0.000 0.665 281 G HN 0.841 nan 8.290 nan 0.000 0.528 282 K N 0.325 120.732 120.400 0.011 0.000 2.397 282 K HA 0.413 4.732 4.320 -0.001 0.000 0.202 282 K C 1.570 178.174 176.600 0.006 0.000 1.022 282 K CA 0.055 56.345 56.287 0.006 0.000 1.141 282 K CB 0.517 33.017 32.500 -0.000 0.000 0.857 282 K HN 1.161 nan 8.250 nan 0.000 0.514 283 G N 2.873 111.679 108.800 0.011 0.000 2.421 283 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.300 283 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.300 283 G C 0.480 175.384 174.900 0.007 0.000 0.974 283 G CA 1.050 46.158 45.100 0.014 0.000 1.062 283 G HN 0.563 nan 8.290 nan 0.000 0.514 284 I N -4.132 116.434 120.570 -0.006 0.000 4.670 284 I HA 0.713 4.882 4.170 -0.001 0.000 0.339 284 I C 1.257 177.343 176.117 -0.051 0.000 1.310 284 I CA 0.110 61.397 61.300 -0.022 0.000 1.288 284 I CB 0.034 38.020 38.000 -0.023 0.000 1.427 284 I HN 0.434 nan 8.210 nan 0.000 0.494 285 A N 2.263 125.053 122.820 -0.051 0.000 2.561 285 A HA 0.139 4.458 4.320 -0.001 0.000 0.234 285 A C 0.259 177.781 177.584 -0.103 0.000 1.055 285 A CA 0.257 52.242 52.037 -0.088 0.000 0.756 285 A CB -0.171 18.783 19.000 -0.078 0.000 0.986 285 A HN 0.469 nan 8.150 nan 0.000 0.505 286 N N 2.598 121.206 118.700 -0.155 0.000 2.420 286 N HA 0.211 4.950 4.740 -0.001 0.000 0.262 286 N C -1.842 173.609 175.510 -0.097 0.000 1.144 286 N CA -1.906 51.018 53.050 -0.210 0.000 0.952 286 N CB 0.990 39.333 38.487 -0.239 0.000 1.081 286 N HN 0.319 nan 8.380 nan 0.000 0.480 287 P HA 0.101 nan 4.420 nan 0.000 0.261 287 P C 0.816 178.182 177.300 0.110 0.000 1.268 287 P CA 0.159 63.306 63.100 0.079 0.000 0.833 287 P CB 0.287 32.062 31.700 0.126 0.000 1.231 288 T N 0.687 115.265 114.554 0.041 0.000 2.653 288 T HA -0.232 4.117 4.350 -0.001 0.000 0.268 288 T C 1.924 176.692 174.700 0.112 0.000 1.035 288 T CA 2.242 64.397 62.100 0.092 0.000 1.154 288 T CB -0.694 68.165 68.868 -0.016 0.000 0.862 288 T HN 0.152 nan 8.240 nan 0.000 0.441 289 A N 1.088 123.980 122.820 0.121 0.000 1.930 289 A HA 0.218 4.538 4.320 -0.001 0.000 0.217 289 A C 2.628 180.262 177.584 0.084 0.000 1.175 289 A CA 1.790 53.894 52.037 0.112 0.000 0.627 289 A CB -0.993 18.074 19.000 0.112 0.000 0.815 289 A HN 0.529 nan 8.150 nan 0.000 0.443 290 A N -0.198 122.679 122.820 0.095 0.000 1.898 290 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 290 A C 2.103 179.729 177.584 0.070 0.000 1.181 290 A CA 1.385 53.466 52.037 0.073 0.000 0.620 290 A CB -0.541 18.511 19.000 0.086 0.000 0.819 290 A HN 0.464 nan 8.150 nan 0.000 0.442 291 I N -0.160 120.461 120.570 0.085 0.000 2.179 291 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 291 I C 2.262 178.419 176.117 0.068 0.000 1.088 291 I CA 1.160 62.502 61.300 0.071 0.000 1.357 291 I CB -0.279 37.778 38.000 0.095 0.000 1.051 291 I HN 0.268 nan 8.210 nan 0.000 0.409 292 L N -0.249 121.031 121.223 0.095 0.000 2.191 292 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 292 L C 2.569 179.497 176.870 0.097 0.000 1.103 292 L CA 0.868 55.773 54.840 0.108 0.000 0.769 292 L CB -0.558 41.594 42.059 0.155 0.000 0.908 292 L HN 0.218 nan 8.230 nan 0.000 0.438 293 S N 0.083 115.839 115.700 0.094 0.000 2.355 293 S HA -0.138 4.331 4.470 -0.001 0.000 0.222 293 S C 2.285 176.907 174.600 0.037 0.000 1.031 293 S CA 1.128 59.399 58.200 0.119 0.000 0.993 293 S CB -0.263 63.017 63.200 0.134 0.000 0.859 293 S HN 0.504 nan 8.310 nan 0.000 0.453 294 A N 1.693 124.516 122.820 0.005 0.000 1.917 294 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 294 A C 2.323 179.850 177.584 -0.095 0.000 1.182 294 A CA 1.986 53.987 52.037 -0.059 0.000 0.633 294 A CB -1.103 17.878 19.000 -0.031 0.000 0.819 294 A HN 0.538 nan 8.150 nan 0.000 0.448 295 A N -0.942 121.855 122.820 -0.039 0.000 1.898 295 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 295 A C 2.249 179.792 177.584 -0.068 0.000 1.181 295 A CA 1.649 53.665 52.037 -0.035 0.000 0.620 295 A CB -0.500 18.511 19.000 0.018 0.000 0.819 295 A HN 0.524 nan 8.150 nan 0.000 0.442 296 M N -1.315 118.267 119.600 -0.030 0.000 2.149 296 M HA -0.175 4.304 4.480 -0.001 0.000 0.261 296 M C 2.454 178.569 176.300 -0.308 0.000 1.064 296 M CA 2.019 57.340 55.300 0.035 0.000 1.102 296 M CB -0.400 32.365 32.600 0.274 0.000 1.369 296 M HN 0.657 nan 8.290 nan 0.000 0.408 297 M N 0.709 119.847 119.600 -0.771 0.000 2.065 297 M HA -0.239 4.240 4.480 -0.001 0.000 0.259 297 M C 1.975 178.071 176.300 -0.340 0.000 1.069 297 M CA 1.821 56.385 55.300 -1.228 0.000 1.110 297 M CB -0.162 31.914 32.600 -0.872 0.000 1.328 297 M HN 0.227 nan 8.290 nan 0.000 0.405 298 L N -0.116 121.039 121.223 -0.113 0.000 2.042 298 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 298 L C 2.514 179.392 176.870 0.013 0.000 1.076 298 L CA 1.823 56.693 54.840 0.049 0.000 0.749 298 L CB -0.933 41.112 42.059 -0.025 0.000 0.893 298 L HN 0.468 nan 8.230 nan 0.000 0.432 299 E N -0.202 119.934 120.200 -0.107 0.000 2.007 299 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 299 E C 2.087 178.559 176.600 -0.214 0.000 0.999 299 E CA 1.773 58.050 56.400 -0.205 0.000 0.811 299 E CB -0.025 29.454 29.700 -0.368 0.000 0.762 299 E HN 0.578 nan 8.360 nan 0.000 0.450 300 H N -1.345 117.731 119.070 0.010 0.000 2.482 300 H HA 0.168 4.723 4.556 -0.001 0.000 0.286 300 H C 1.481 176.829 175.328 0.034 0.000 1.017 300 H CA 0.878 56.973 56.048 0.077 0.000 1.322 300 H CB 0.404 30.296 29.762 0.216 0.000 1.426 300 H HN 0.231 nan 8.280 nan 0.000 0.546 301 A N -0.341 122.482 122.820 0.004 0.000 2.014 301 A HA 0.108 4.427 4.320 -0.001 0.000 0.210 301 A C 1.005 178.264 177.584 -0.542 0.000 1.188 301 A CA 0.420 52.288 52.037 -0.283 0.000 0.731 301 A CB 0.035 18.748 19.000 -0.478 0.000 0.858 301 A HN 0.278 nan 8.150 nan 0.000 0.464 302 F N -0.890 119.057 119.950 -0.006 0.000 2.706 302 F HA 0.386 4.912 4.527 -0.002 0.000 0.308 302 F C 1.667 177.459 175.800 -0.013 0.000 1.095 302 F CA 0.238 58.233 58.000 -0.009 0.000 1.244 302 F CB 0.384 39.367 39.000 -0.028 0.000 1.063 302 F HN 0.283 nan 8.300 nan 0.000 0.582 303 G N 1.645 110.503 108.800 0.097 0.000 2.221 303 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.265 303 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.265 303 G C 0.062 174.989 174.900 0.045 0.000 1.041 303 G CA -0.043 45.086 45.100 0.048 0.000 0.807 303 G HN 0.347 nan 8.290 nan 0.000 0.502 304 L N 0.796 122.049 121.223 0.050 0.000 2.512 304 L HA 0.264 4.603 4.340 -0.001 0.000 0.247 304 L C 2.021 178.884 176.870 -0.012 0.000 1.204 304 L CA -0.795 54.058 54.840 0.021 0.000 1.153 304 L CB 0.681 42.751 42.059 0.019 0.000 1.415 304 L HN 0.067 nan 8.230 nan 0.000 0.406 305 V N 0.271 120.174 119.914 -0.019 0.000 2.261 305 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 305 V C 2.442 178.525 176.094 -0.019 0.000 1.047 305 V CA 1.920 64.199 62.300 -0.036 0.000 1.015 305 V CB -0.150 31.655 31.823 -0.030 0.000 0.642 305 V HN 0.696 nan 8.190 nan 0.000 0.446 306 E N 0.070 120.265 120.200 -0.007 0.000 2.085 306 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 306 E C 1.910 178.510 176.600 -0.001 0.000 0.994 306 E CA 1.346 57.746 56.400 -0.000 0.000 0.801 306 E CB -0.472 29.229 29.700 0.003 0.000 0.743 306 E HN 0.386 nan 8.360 nan 0.000 0.453 307 L N -0.073 121.147 121.223 -0.006 0.000 2.093 307 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 307 L C 2.135 178.998 176.870 -0.011 0.000 1.085 307 L CA 1.901 56.735 54.840 -0.010 0.000 0.755 307 L CB -0.970 41.077 42.059 -0.019 0.000 0.904 307 L HN 0.200 nan 8.230 nan 0.000 0.435 308 A N -0.719 122.091 122.820 -0.018 0.000 1.908 308 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 308 A C 2.307 179.894 177.584 0.005 0.000 1.181 308 A CA 1.462 53.489 52.037 -0.018 0.000 0.627 308 A CB -0.457 18.516 19.000 -0.045 0.000 0.818 308 A HN 0.362 nan 8.150 nan 0.000 0.445 309 R N -0.052 120.452 120.500 0.007 0.000 2.115 309 R HA -0.063 4.276 4.340 -0.001 0.000 0.230 309 R C 1.956 178.275 176.300 0.031 0.000 1.111 309 R CA 1.515 57.630 56.100 0.024 0.000 0.976 309 R CB -0.554 29.758 30.300 0.019 0.000 0.870 309 R HN 0.604 nan 8.270 nan 0.000 0.445 310 K N 0.199 120.611 120.400 0.021 0.000 2.057 310 K HA -0.066 4.253 4.320 -0.001 0.000 0.207 310 K C 2.120 178.734 176.600 0.023 0.000 1.049 310 K CA 1.217 57.518 56.287 0.023 0.000 0.931 310 K CB -0.079 32.430 32.500 0.016 0.000 0.714 310 K HN -0.071 nan 8.250 nan 0.000 0.440 311 V N 1.521 121.445 119.914 0.018 0.000 2.295 311 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 311 V C 1.897 178.013 176.094 0.036 0.000 1.049 311 V CA 1.818 64.128 62.300 0.017 0.000 1.024 311 V CB -0.467 31.362 31.823 0.010 0.000 0.648 311 V HN 0.322 nan 8.190 nan 0.000 0.447 312 E N 0.054 120.295 120.200 0.069 0.000 2.097 312 E HA -0.309 4.041 4.350 -0.001 0.000 0.196 312 E C 1.971 178.646 176.600 0.124 0.000 1.000 312 E CA 1.824 58.306 56.400 0.135 0.000 0.804 312 E CB -0.229 29.568 29.700 0.163 0.000 0.740 312 E HN 0.683 nan 8.360 nan 0.000 0.454 313 D N -0.359 120.088 120.400 0.078 0.000 2.144 313 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 313 D C 1.816 178.108 176.300 -0.012 0.000 0.978 313 D CA 1.254 55.286 54.000 0.053 0.000 0.833 313 D CB 0.047 40.873 40.800 0.044 0.000 0.961 313 D HN 0.185 nan 8.370 nan 0.000 0.470 314 A N -0.386 122.424 122.820 -0.016 0.000 1.929 314 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 314 A C 2.363 179.862 177.584 -0.142 0.000 1.176 314 A CA 0.946 52.952 52.037 -0.053 0.000 0.628 314 A CB -0.564 18.436 19.000 -0.002 0.000 0.816 314 A HN 0.200 nan 8.150 nan 0.000 0.444 315 V N -0.107 119.746 119.914 -0.103 0.000 2.307 315 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 315 V C 3.072 179.016 176.094 -0.250 0.000 1.045 315 V CA 1.808 64.025 62.300 -0.137 0.000 1.024 315 V CB -1.139 30.651 31.823 -0.056 0.000 0.651 315 V HN 0.599 nan 8.190 nan 0.000 0.449 316 A N -0.317 122.347 122.820 -0.260 0.000 1.892 316 A HA -0.291 4.028 4.320 -0.001 0.000 0.218 316 A C 2.296 179.756 177.584 -0.206 0.000 1.188 316 A CA 2.260 54.121 52.037 -0.293 0.000 0.631 316 A CB -0.468 18.599 19.000 0.111 0.000 0.822 316 A HN 0.541 nan 8.150 nan 0.000 0.447 317 K N -0.717 119.533 120.400 -0.249 0.000 2.155 317 K HA 0.051 4.370 4.320 -0.001 0.000 0.203 317 K C 2.319 178.660 176.600 -0.431 0.000 1.052 317 K CA 0.856 56.912 56.287 -0.383 0.000 0.948 317 K CB -0.253 31.857 32.500 -0.650 0.000 0.728 317 K HN 0.453 nan 8.250 nan 0.000 0.448 318 A N 1.499 124.075 122.820 -0.406 0.000 1.902 318 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 318 A C 2.063 179.644 177.584 -0.004 0.000 1.181 318 A CA 1.172 53.034 52.037 -0.291 0.000 0.623 318 A CB -0.674 17.981 19.000 -0.574 0.000 0.818 318 A HN 0.167 nan 8.150 nan 0.000 0.443 319 L N -0.546 120.734 121.223 0.095 0.000 2.189 319 L HA -0.216 4.124 4.340 -0.001 0.000 0.214 319 L C 2.337 179.237 176.870 0.049 0.000 1.097 319 L CA 0.979 55.900 54.840 0.135 0.000 0.764 319 L CB -0.408 41.616 42.059 -0.060 0.000 0.900 319 L HN 0.405 nan 8.230 nan 0.000 0.436 320 L N -1.379 119.842 121.223 -0.003 0.000 2.202 320 L HA -0.071 4.268 4.340 -0.001 0.000 0.205 320 L C 2.477 179.361 176.870 0.023 0.000 1.083 320 L CA 0.683 55.527 54.840 0.007 0.000 0.790 320 L CB -0.349 41.704 42.059 -0.010 0.000 0.942 320 L HN 0.276 nan 8.230 nan 0.000 0.452 321 E N 0.542 120.754 120.200 0.020 0.000 2.028 321 E HA -0.133 4.217 4.350 -0.001 0.000 0.190 321 E C 0.467 177.106 176.600 0.064 0.000 0.984 321 E CA 1.531 57.961 56.400 0.050 0.000 0.800 321 E CB 0.376 30.130 29.700 0.091 0.000 0.758 321 E HN 0.339 nan 8.360 nan 0.000 0.448 322 T N 0.606 115.217 114.554 0.094 0.000 3.317 322 T HA 0.383 4.732 4.350 -0.001 0.000 0.361 322 T C -2.747 172.081 174.700 0.215 0.000 1.499 322 T CA -1.979 60.199 62.100 0.129 0.000 1.529 322 T CB 1.338 70.276 68.868 0.117 0.000 0.997 322 T HN -0.070 nan 8.240 nan 0.000 0.624 323 P HA 0.309 nan 4.420 nan 0.000 0.268 323 P C -2.677 174.627 177.300 0.006 0.000 1.205 323 P CA -1.208 61.932 63.100 0.067 0.000 0.771 323 P CB 0.125 31.840 31.700 0.025 0.000 0.858 324 P HA 0.150 nan 4.420 nan 0.000 0.273 324 P C -1.851 175.394 177.300 -0.091 0.000 1.250 324 P CA -1.477 61.531 63.100 -0.154 0.000 0.793 324 P CB -0.785 30.715 31.700 -0.333 0.000 1.011 325 P HA -0.187 nan 4.420 nan 0.000 0.218 325 P C 0.799 178.067 177.300 -0.053 0.000 1.148 325 P CA 1.518 64.589 63.100 -0.049 0.000 0.822 325 P CB -0.351 31.324 31.700 -0.042 0.000 0.784 326 D N -1.224 119.131 120.400 -0.075 0.000 2.371 326 D HA -0.081 4.558 4.640 -0.001 0.000 0.221 326 D C 1.187 177.459 176.300 -0.048 0.000 0.986 326 D CA 0.715 54.678 54.000 -0.062 0.000 0.899 326 D CB -0.470 40.285 40.800 -0.075 0.000 0.902 326 D HN 0.191 nan 8.370 nan 0.000 0.530 327 L N -0.511 120.680 121.223 -0.054 0.000 2.728 327 L HA 0.357 4.696 4.340 -0.001 0.000 0.238 327 L C 1.736 178.596 176.870 -0.018 0.000 1.143 327 L CA 0.533 55.353 54.840 -0.033 0.000 0.937 327 L CB 0.491 42.523 42.059 -0.044 0.000 1.225 327 L HN 0.276 nan 8.230 nan 0.000 0.507 328 G N -1.434 107.354 108.800 -0.020 0.000 2.176 328 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.253 328 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.253 328 G C 0.736 175.632 174.900 -0.006 0.000 0.979 328 G CA 0.025 45.119 45.100 -0.010 0.000 0.641 328 G HN 0.605 nan 8.290 nan 0.000 0.530 329 G N -0.488 108.306 108.800 -0.010 0.000 2.531 329 G HA2 0.621 4.580 3.960 -0.001 0.000 0.253 329 G HA3 0.621 4.580 3.960 -0.001 0.000 0.253 329 G C 0.988 175.888 174.900 -0.001 0.000 1.439 329 G CA 0.887 45.987 45.100 0.001 0.000 1.056 329 G HN 1.539 nan 8.290 nan 0.000 0.555 330 S N -2.049 113.656 115.700 0.010 0.000 3.009 330 S HA 0.536 5.005 4.470 -0.001 0.000 0.254 330 S C 0.466 175.078 174.600 0.020 0.000 1.004 330 S CA 0.518 58.723 58.200 0.009 0.000 1.119 330 S CB 0.195 63.402 63.200 0.011 0.000 1.075 330 S HN 1.095 nan 8.310 nan 0.000 0.618 331 A N 1.464 124.304 122.820 0.033 0.000 2.347 331 A HA 0.725 5.044 4.320 -0.001 0.000 0.287 331 A C 0.948 178.565 177.584 0.056 0.000 1.199 331 A CA -0.043 52.036 52.037 0.071 0.000 0.851 331 A CB -0.246 18.846 19.000 0.154 0.000 1.118 331 A HN 0.685 nan 8.150 nan 0.000 0.525 332 G N 1.465 110.298 108.800 0.054 0.000 2.683 332 G HA2 0.320 4.279 3.960 -0.001 0.000 0.260 332 G HA3 0.320 4.279 3.960 -0.001 0.000 0.260 332 G C 0.948 175.893 174.900 0.076 0.000 1.238 332 G CA 0.459 45.584 45.100 0.043 0.000 0.934 332 G HN 0.630 nan 8.290 nan 0.000 0.534 333 T N -0.172 114.416 114.554 0.056 0.000 2.746 333 T HA -0.105 4.244 4.350 -0.001 0.000 0.267 333 T C 2.153 176.927 174.700 0.124 0.000 1.039 333 T CA 1.929 64.078 62.100 0.082 0.000 1.142 333 T CB -0.153 68.745 68.868 0.050 0.000 0.866 333 T HN 0.640 nan 8.240 nan 0.000 0.444 334 E N 0.759 121.009 120.200 0.084 0.000 2.107 334 E HA 0.066 4.415 4.350 -0.001 0.000 0.191 334 E C 2.488 179.130 176.600 0.070 0.000 0.982 334 E CA 0.753 57.194 56.400 0.069 0.000 0.809 334 E CB -0.146 29.581 29.700 0.044 0.000 0.756 334 E HN 0.457 nan 8.360 nan 0.000 0.459 335 A N 0.645 123.514 122.820 0.081 0.000 1.969 335 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 335 A C 1.903 179.542 177.584 0.091 0.000 1.169 335 A CA 0.794 52.874 52.037 0.071 0.000 0.635 335 A CB -0.529 18.511 19.000 0.067 0.000 0.810 335 A HN 0.331 nan 8.150 nan 0.000 0.445 336 F N 1.304 121.254 119.950 0.001 0.000 2.163 336 F HA -0.097 4.429 4.527 -0.002 0.000 0.297 336 F C 2.421 178.221 175.800 0.001 0.000 1.094 336 F CA 2.146 60.145 58.000 -0.002 0.000 1.290 336 F CB -0.589 38.405 39.000 -0.011 0.000 1.017 336 F HN 0.193 nan 8.300 nan 0.000 0.483 337 T N 0.728 115.316 114.554 0.057 0.000 2.684 337 T HA -0.206 4.144 4.350 -0.001 0.000 0.267 337 T C 2.227 176.863 174.700 -0.107 0.000 1.036 337 T CA 1.490 63.568 62.100 -0.038 0.000 1.148 337 T CB -0.932 67.968 68.868 0.053 0.000 0.863 337 T HN 0.361 nan 8.240 nan 0.000 0.436 338 A N 1.193 123.976 122.820 -0.062 0.000 2.032 338 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 338 A C 2.489 180.013 177.584 -0.100 0.000 1.165 338 A CA 2.077 54.076 52.037 -0.064 0.000 0.645 338 A CB -1.090 17.891 19.000 -0.033 0.000 0.807 338 A HN 0.513 nan 8.150 nan 0.000 0.453 339 T N -0.832 113.627 114.554 -0.158 0.000 2.851 339 T HA -0.037 4.312 4.350 -0.001 0.000 0.262 339 T C 1.865 176.497 174.700 -0.114 0.000 1.043 339 T CA 1.167 63.184 62.100 -0.139 0.000 1.140 339 T CB -0.319 68.441 68.868 -0.180 0.000 0.872 339 T HN 0.159 nan 8.240 nan 0.000 0.446 340 V N 2.054 121.793 119.914 -0.292 0.000 2.332 340 V HA -0.151 3.968 4.120 -0.001 0.000 0.248 340 V C 2.487 178.532 176.094 -0.082 0.000 1.055 340 V CA 1.538 63.709 62.300 -0.216 0.000 1.038 340 V CB -0.726 30.931 31.823 -0.277 0.000 0.651 340 V HN 0.453 nan 8.190 nan 0.000 0.450 341 L N -0.919 120.250 121.223 -0.090 0.000 2.093 341 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 341 L C 2.770 179.601 176.870 -0.064 0.000 1.085 341 L CA 1.508 56.312 54.840 -0.061 0.000 0.755 341 L CB -0.626 41.400 42.059 -0.056 0.000 0.904 341 L HN 0.242 nan 8.230 nan 0.000 0.435 342 R N -0.892 119.551 120.500 -0.095 0.000 2.083 342 R HA -0.163 4.176 4.340 -0.001 0.000 0.237 342 R C 2.395 178.573 176.300 -0.203 0.000 1.137 342 R CA 1.305 57.308 56.100 -0.161 0.000 0.951 342 R CB -0.337 29.824 30.300 -0.231 0.000 0.851 342 R HN 0.444 nan 8.270 nan 0.000 0.434 343 H N 0.451 119.471 119.070 -0.083 0.000 2.387 343 H HA -0.107 4.448 4.556 -0.002 0.000 0.299 343 H C 2.267 177.564 175.328 -0.053 0.000 1.090 343 H CA 1.299 57.306 56.048 -0.069 0.000 1.332 343 H CB -0.098 29.615 29.762 -0.082 0.000 1.386 343 H HN 0.189 nan 8.280 nan 0.000 0.516 344 L N 0.216 121.462 121.223 0.039 0.000 1.955 344 L HA -0.209 4.130 4.340 -0.001 0.000 0.213 344 L C 2.916 179.780 176.870 -0.012 0.000 1.072 344 L CA 1.254 56.099 54.840 0.008 0.000 0.755 344 L CB -0.603 41.450 42.059 -0.010 0.000 0.888 344 L HN 0.223 nan 8.230 nan 0.000 0.432 345 A N -0.463 122.337 122.820 -0.033 0.000 1.978 345 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 345 A C 2.390 179.947 177.584 -0.045 0.000 1.170 345 A CA 1.824 53.837 52.037 -0.040 0.000 0.636 345 A CB -0.638 18.332 19.000 -0.049 0.000 0.810 345 A HN 0.499 nan 8.150 nan 0.000 0.448 346 A N -0.562 122.221 122.820 -0.062 0.000 1.970 346 A HA 0.336 4.656 4.320 -0.001 0.000 0.216 346 A C 2.362 179.925 177.584 -0.034 0.000 1.170 346 A CA 1.518 53.515 52.037 -0.066 0.000 0.645 346 A CB -0.693 18.238 19.000 -0.114 0.000 0.816 346 A HN 0.984 nan 8.150 nan 0.000 0.447 347 A N -0.466 122.350 122.820 -0.007 0.000 2.067 347 A HA 0.366 4.685 4.320 -0.001 0.000 0.217 347 A C 2.273 179.857 177.584 0.001 0.000 1.156 347 A CA 1.473 53.514 52.037 0.006 0.000 0.683 347 A CB -0.539 18.480 19.000 0.032 0.000 0.808 347 A HN 0.829 nan 8.150 nan 0.000 0.455 348 A N -0.230 122.587 122.820 -0.005 0.000 1.935 348 A HA 0.148 4.468 4.320 -0.001 0.000 0.214 348 A C 1.997 179.575 177.584 -0.010 0.000 1.178 348 A CA 0.936 52.973 52.037 0.001 0.000 0.640 348 A CB -0.519 18.480 19.000 -0.002 0.000 0.825 348 A HN 0.406 nan 8.150 nan 0.000 0.447 349 L N -0.096 121.110 121.223 -0.029 0.000 2.064 349 L HA -0.326 4.013 4.340 -0.001 0.000 0.216 349 L C 2.592 179.424 176.870 -0.063 0.000 1.077 349 L CA 2.113 56.929 54.840 -0.040 0.000 0.766 349 L CB -0.567 41.462 42.059 -0.049 0.000 0.890 349 L HN 0.503 nan 8.230 nan 0.000 0.435 350 E N -1.650 118.491 120.200 -0.099 0.000 2.038 350 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 350 E C 0.408 176.812 176.600 -0.327 0.000 1.000 350 E CA 1.232 57.495 56.400 -0.230 0.000 0.803 350 E CB 0.014 29.559 29.700 -0.260 0.000 0.750 350 E HN 0.598 nan 8.360 nan 0.000 0.448 351 H N 0.000 119.068 119.070 -0.003 0.000 2.539 351 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 351 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 351 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 351 H HN 0.000 nan 8.280 nan 0.000 0.496