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 2g3n_1_D DATA FIRST_RESID 3 DATA SEQUENCE ILKIYENKGV YKVVIGEPFP PIEFPLEQKI SSNKSLSELG LTIVQQGNKV DATA SEQUENCE IVEKSLDLKE HIIGLGEKAF ELDRKRKRYV MYNVDAGAYK KYQDPLYVSI DATA SEQUENCE PLFISVKDGV ATGYFFNSAS KVIFDVGLEE YDKVIVTIPE DSVEFYVIEG DATA SEQUENCE PRIEDVLEKY TELTGKPFLP PMWAFGYMIS RYSYYPQDKV VELVDIMQKE DATA SEQUENCE GFRVAGVFLD IHYMDSYKLF TWHPYRFPEP KKLIDELHKR NVKLITIVDH DATA SEQUENCE GIRVDQNYSP FLSGMGKFCE IESGELFVGK MWPGTTVYPD FFREDTREWW DATA SEQUENCE AGLISEWLSQ GVDGIWLDMN EPTDFSRAIE IRDVLSSLPV QFRDDRLVTT DATA SEQUENCE FPDNVVHYLR GKRVKHEKVR NAYPLYEAMA TFKGFRTSHR NEIFILSRAG DATA SEQUENCE YAGIQRYAFI WTGDNTPSWD DLKLQLQLVL GLSISGVPFV GCDIGGFQGR DATA SEQUENCE NFAEIDNSMD LLVKYYALAL FFPFYRSHKA TDGIDTEPVF LPDYYKEKVK DATA SEQUENCE EIVELRYKFL PYIYSLALEA SEKGHPVIRP LFYEFQDDDD MYRIEDEYMV DATA SEQUENCE GKYLLYAPIV SKEESRLVTL PRGKWYNYWN GEIINGKSVV KSTHELPIYL DATA SEQUENCE REGSIIPLEG DELIVYGETS FKRYDNAEIT SSSNEIKFSR EIYVSKLTIT DATA SEQUENCE SEKPVSKIIV DDSKEIQVEK TMQNTYVAKI NQKIRGKINL E 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.111 176.117 -0.010 0.000 1.063 3 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 3 I CB 0.000 38.001 38.000 0.001 0.000 1.214 4 L N 6.142 127.346 121.223 -0.032 0.000 2.528 4 L HA 0.615 4.952 4.340 -0.004 0.000 0.267 4 L C -1.637 175.168 176.870 -0.109 0.000 0.961 4 L CA -0.104 54.704 54.840 -0.053 0.000 0.866 4 L CB 1.561 43.599 42.059 -0.036 0.000 1.248 4 L HN 0.496 nan 8.230 nan 0.000 0.404 5 K N 6.234 126.534 120.400 -0.168 0.000 2.316 5 K HA 0.756 5.074 4.320 -0.004 0.000 0.251 5 K C -1.263 175.087 176.600 -0.416 0.000 0.934 5 K CA -0.674 55.420 56.287 -0.322 0.000 0.802 5 K CB 2.696 34.958 32.500 -0.397 0.000 1.171 5 K HN 0.532 nan 8.250 nan 0.000 0.426 6 I N 2.880 123.159 120.570 -0.485 0.000 2.478 6 I HA 0.305 4.473 4.170 -0.004 0.000 0.287 6 I C -1.269 174.606 176.117 -0.403 0.000 1.042 6 I CA -0.947 60.139 61.300 -0.357 0.000 1.067 6 I CB 0.991 38.896 38.000 -0.158 0.000 1.233 6 I HN 0.477 nan 8.210 nan 0.000 0.431 7 Y N 4.141 124.404 120.300 -0.062 0.000 2.446 7 Y HA 0.553 5.101 4.550 -0.004 0.000 0.338 7 Y C 0.190 176.034 175.900 -0.093 0.000 1.055 7 Y CA -0.686 57.377 58.100 -0.063 0.000 1.101 7 Y CB 1.662 40.081 38.460 -0.067 0.000 1.221 7 Y HN 0.504 nan 8.280 nan 0.000 0.460 8 E N 1.857 122.071 120.200 0.023 0.000 2.378 8 E HA 0.540 4.887 4.350 -0.004 0.000 0.265 8 E C -1.534 174.965 176.600 -0.170 0.000 0.932 8 E CA -0.903 55.358 56.400 -0.231 0.000 0.795 8 E CB 2.254 31.763 29.700 -0.319 0.000 1.296 8 E HN 0.821 nan 8.360 nan 0.000 0.438 9 N N 1.815 120.361 118.700 -0.257 0.000 7.111 9 N HA -0.067 4.671 4.740 -0.004 0.000 0.096 9 N C -1.596 173.820 175.510 -0.155 0.000 0.911 9 N CA -0.128 52.828 53.050 -0.156 0.000 1.266 9 N CB 0.221 38.654 38.487 -0.089 0.000 1.288 9 N HN 0.679 nan 8.380 nan 0.000 1.263 10 K N 2.172 122.496 120.400 -0.126 0.000 3.148 10 K HA -0.193 4.125 4.320 -0.004 0.000 0.267 10 K C 0.656 177.193 176.600 -0.105 0.000 0.996 10 K CA 1.039 57.269 56.287 -0.096 0.000 0.737 10 K CB -1.657 30.797 32.500 -0.077 0.000 1.308 10 K HN 1.006 nan 8.250 nan 0.000 0.470 11 G N -0.887 107.827 108.800 -0.143 0.000 2.258 11 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.274 11 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.274 11 G C 0.004 174.859 174.900 -0.076 0.000 1.021 11 G CA 0.340 45.386 45.100 -0.091 0.000 0.798 11 G HN 0.315 nan 8.290 nan 0.000 0.507 12 V N 0.377 120.175 119.914 -0.193 0.000 2.482 12 V HA 0.530 4.648 4.120 -0.004 0.000 0.295 12 V C -0.653 175.347 176.094 -0.158 0.000 1.026 12 V CA -1.176 61.090 62.300 -0.057 0.000 0.856 12 V CB 1.325 33.145 31.823 -0.005 0.000 1.001 12 V HN 0.250 nan 8.190 nan 0.000 0.424 13 Y N 3.198 123.497 120.300 -0.001 0.000 2.328 13 Y HA 0.498 5.045 4.550 -0.004 0.000 0.337 13 Y C 0.371 176.204 175.900 -0.111 0.000 1.008 13 Y CA -0.779 57.294 58.100 -0.045 0.000 1.129 13 Y CB 1.408 39.814 38.460 -0.091 0.000 1.185 13 Y HN 0.475 nan 8.280 nan 0.000 0.476 14 K N 3.459 123.850 120.400 -0.015 0.000 2.281 14 K HA 0.572 4.889 4.320 -0.004 0.000 0.272 14 K C -1.556 174.839 176.600 -0.341 0.000 1.048 14 K CA -0.447 55.661 56.287 -0.299 0.000 0.898 14 K CB 0.624 33.040 32.500 -0.140 0.000 1.128 14 K HN 0.542 nan 8.250 nan 0.000 0.460 15 V N 5.160 124.675 119.914 -0.665 0.000 2.370 15 V HA 0.257 4.374 4.120 -0.004 0.000 0.279 15 V C -0.366 175.417 176.094 -0.519 0.000 1.029 15 V CA -0.854 61.042 62.300 -0.674 0.000 0.870 15 V CB 1.440 32.557 31.823 -1.177 0.000 0.984 15 V HN 0.486 nan 8.190 nan 0.000 0.451 16 V N 6.313 126.069 119.914 -0.264 0.000 2.384 16 V HA 0.475 4.593 4.120 -0.004 0.000 0.287 16 V C -0.229 175.839 176.094 -0.043 0.000 1.020 16 V CA -0.515 61.718 62.300 -0.112 0.000 0.850 16 V CB 1.683 33.489 31.823 -0.027 0.000 0.987 16 V HN 0.581 nan 8.190 nan 0.000 0.436 17 I N 4.625 125.215 120.570 0.033 0.000 2.330 17 I HA 0.670 4.838 4.170 -0.004 0.000 0.289 17 I C 0.963 177.113 176.117 0.055 0.000 1.001 17 I CA 0.472 61.810 61.300 0.063 0.000 1.193 17 I CB 0.481 38.559 38.000 0.130 0.000 1.345 17 I HN 0.875 nan 8.210 nan 0.000 0.461 18 G N 7.395 116.216 108.800 0.036 0.000 2.547 18 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.271 18 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.271 18 G C -0.123 174.803 174.900 0.044 0.000 1.209 18 G CA -0.261 44.860 45.100 0.036 0.000 0.959 18 G HN 0.637 nan 8.290 nan 0.000 0.563 19 E N 1.650 121.882 120.200 0.053 0.000 2.916 19 E HA 0.421 4.769 4.350 -0.004 0.000 0.217 19 E C -2.526 174.134 176.600 0.100 0.000 1.100 19 E CA -1.506 54.936 56.400 0.070 0.000 0.891 19 E CB 1.515 31.250 29.700 0.059 0.000 1.311 19 E HN 0.309 nan 8.360 nan 0.000 0.421 20 P HA -0.008 nan 4.420 nan 0.000 0.269 20 P C -0.968 176.452 177.300 0.200 0.000 1.209 20 P CA -0.060 63.121 63.100 0.134 0.000 0.776 20 P CB 0.374 32.134 31.700 0.100 0.000 0.876 21 F N 3.341 123.309 119.950 0.029 0.000 2.686 21 F HA 0.386 4.911 4.527 -0.004 0.000 0.365 21 F C -2.409 173.407 175.800 0.027 0.000 1.196 21 F CA -2.757 55.255 58.000 0.020 0.000 1.198 21 F CB 0.418 39.417 39.000 -0.001 0.000 1.454 21 F HN 0.176 nan 8.300 nan 0.000 0.539 22 P HA 0.086 nan 4.420 nan 0.000 0.267 22 P C -1.960 175.256 177.300 -0.139 0.000 1.200 22 P CA -0.872 62.187 63.100 -0.068 0.000 0.772 22 P CB 0.342 32.015 31.700 -0.044 0.000 0.855 23 P HA -0.026 nan 4.420 nan 0.000 0.220 23 P C 0.332 177.702 177.300 0.116 0.000 1.148 23 P CA 1.409 64.527 63.100 0.030 0.000 0.803 23 P CB 0.610 32.308 31.700 -0.003 0.000 0.782 24 I N -1.520 119.042 120.570 -0.012 0.000 2.775 24 I HA 0.270 4.438 4.170 -0.004 0.000 0.295 24 I C -1.458 174.417 176.117 -0.404 0.000 1.287 24 I CA -0.997 60.219 61.300 -0.140 0.000 1.029 24 I CB 3.008 40.861 38.000 -0.245 0.000 1.282 24 I HN -0.325 nan 8.210 nan 0.000 0.426 25 E N 6.034 126.025 120.200 -0.349 0.000 2.174 25 E HA 0.357 4.705 4.350 -0.004 0.000 0.282 25 E C -1.682 174.715 176.600 -0.338 0.000 0.992 25 E CA -0.476 55.758 56.400 -0.277 0.000 0.803 25 E CB 1.406 31.027 29.700 -0.130 0.000 1.090 25 E HN 0.254 nan 8.360 nan 0.000 0.396 26 F N 4.436 124.429 119.950 0.073 0.000 2.388 26 F HA 0.259 4.784 4.527 -0.004 0.000 0.358 26 F C -1.604 174.204 175.800 0.012 0.000 1.122 26 F CA -2.773 55.238 58.000 0.019 0.000 1.056 26 F CB 0.650 39.644 39.000 -0.012 0.000 1.155 26 F HN 0.260 nan 8.300 nan 0.000 0.461 27 P HA 0.050 nan 4.420 nan 0.000 0.266 27 P C -1.027 176.303 177.300 0.050 0.000 1.195 27 P CA -0.135 63.006 63.100 0.068 0.000 0.768 27 P CB 1.576 33.297 31.700 0.036 0.000 0.838 28 L N 3.626 124.859 121.223 0.017 0.000 2.377 28 L HA 0.170 4.508 4.340 -0.004 0.000 0.270 28 L C 1.319 178.168 176.870 -0.036 0.000 0.991 28 L CA -0.364 54.473 54.840 -0.005 0.000 0.851 28 L CB 1.033 43.087 42.059 -0.008 0.000 1.218 28 L HN 0.527 nan 8.230 nan 0.000 0.420 29 E N 2.951 123.130 120.200 -0.035 0.000 2.505 29 E HA -0.018 4.330 4.350 -0.004 0.000 0.197 29 E C -0.476 176.099 176.600 -0.042 0.000 1.111 29 E CA 0.110 56.488 56.400 -0.037 0.000 0.887 29 E CB 0.366 30.045 29.700 -0.036 0.000 0.913 29 E HN 0.419 nan 8.360 nan 0.000 0.517 30 Q N 1.006 120.775 119.800 -0.052 0.000 2.821 30 Q HA 0.173 4.511 4.340 -0.004 0.000 0.217 30 Q C -1.459 174.501 176.000 -0.066 0.000 0.775 30 Q CA -0.014 55.758 55.803 -0.051 0.000 0.930 30 Q CB 1.540 30.252 28.738 -0.043 0.000 1.511 30 Q HN 0.111 nan 8.270 nan 0.000 0.457 31 K N 3.349 123.693 120.400 -0.094 0.000 2.231 31 K HA 0.455 4.773 4.320 -0.004 0.000 0.255 31 K C -0.082 176.512 176.600 -0.010 0.000 1.108 31 K CA -0.054 56.141 56.287 -0.154 0.000 0.997 31 K CB 0.317 32.609 32.500 -0.347 0.000 1.549 31 K HN 0.417 nan 8.250 nan 0.000 0.419 32 I N 1.474 122.079 120.570 0.059 0.000 2.339 32 I HA 0.108 4.276 4.170 -0.004 0.000 0.290 32 I C 0.307 176.518 176.117 0.157 0.000 0.994 32 I CA -0.601 60.748 61.300 0.082 0.000 1.191 32 I CB 1.831 39.843 38.000 0.021 0.000 1.343 32 I HN 0.269 nan 8.210 nan 0.000 0.458 33 S N 3.982 119.772 115.700 0.149 0.000 2.525 33 S HA 0.029 4.497 4.470 -0.004 0.000 0.285 33 S C 0.291 174.904 174.600 0.021 0.000 1.283 33 S CA -0.079 58.163 58.200 0.070 0.000 1.072 33 S CB 0.604 63.815 63.200 0.019 0.000 0.867 33 S HN 0.703 nan 8.310 nan 0.000 0.492 34 S N 2.306 118.004 115.700 -0.003 0.000 2.592 34 S HA 0.153 4.621 4.470 -0.004 0.000 0.271 34 S C 1.460 176.077 174.600 0.029 0.000 1.326 34 S CA -0.807 57.413 58.200 0.033 0.000 1.024 34 S CB 0.287 63.552 63.200 0.108 0.000 0.921 34 S HN 0.824 nan 8.310 nan 0.000 0.527 35 N N 3.446 122.179 118.700 0.055 0.000 2.336 35 N HA -0.009 4.729 4.740 -0.004 0.000 0.177 35 N C -0.100 175.433 175.510 0.039 0.000 1.018 35 N CA 0.221 53.293 53.050 0.037 0.000 0.878 35 N CB -0.351 38.158 38.487 0.037 0.000 0.997 35 N HN 0.459 nan 8.380 nan 0.000 0.433 36 K N 1.720 122.167 120.400 0.078 0.000 2.485 36 K HA 0.054 4.371 4.320 -0.004 0.000 0.277 36 K C 0.495 177.088 176.600 -0.012 0.000 0.990 36 K CA 0.073 56.377 56.287 0.029 0.000 0.994 36 K CB 0.587 33.089 32.500 0.003 0.000 0.906 36 K HN 0.357 nan 8.250 nan 0.000 0.488 37 S N 2.070 117.750 115.700 -0.033 0.000 2.767 37 S HA 0.281 4.749 4.470 -0.004 0.000 0.300 37 S C 1.369 175.942 174.600 -0.045 0.000 1.123 37 S CA -0.966 57.213 58.200 -0.034 0.000 0.992 37 S CB 0.690 63.877 63.200 -0.022 0.000 1.138 37 S HN 0.557 nan 8.310 nan 0.000 0.550 38 L N 1.226 122.434 121.223 -0.024 0.000 2.042 38 L HA -0.131 4.207 4.340 -0.004 0.000 0.210 38 L C 3.077 179.949 176.870 0.004 0.000 1.076 38 L CA 1.761 56.602 54.840 0.001 0.000 0.749 38 L CB -0.882 41.193 42.059 0.028 0.000 0.893 38 L HN 0.969 nan 8.230 nan 0.000 0.432 39 S N -0.681 115.018 115.700 -0.002 0.000 2.399 39 S HA -0.198 4.270 4.470 -0.004 0.000 0.231 39 S C 1.650 176.244 174.600 -0.010 0.000 1.022 39 S CA 1.136 59.335 58.200 -0.001 0.000 0.983 39 S CB -0.376 62.823 63.200 -0.002 0.000 0.803 39 S HN 0.497 nan 8.310 nan 0.000 0.480 40 E N 0.285 120.469 120.200 -0.026 0.000 2.285 40 E HA 0.090 4.438 4.350 -0.004 0.000 0.194 40 E C 1.288 177.851 176.600 -0.062 0.000 0.997 40 E CA 0.342 56.719 56.400 -0.038 0.000 0.845 40 E CB -0.120 29.553 29.700 -0.045 0.000 0.782 40 E HN 0.331 nan 8.360 nan 0.000 0.491 41 L N -0.372 120.810 121.223 -0.069 0.000 2.558 41 L HA 0.169 4.507 4.340 -0.004 0.000 0.225 41 L C 1.247 178.134 176.870 0.028 0.000 1.128 41 L CA 1.019 55.814 54.840 -0.076 0.000 0.868 41 L CB -0.133 41.865 42.059 -0.102 0.000 1.006 41 L HN 0.209 nan 8.230 nan 0.000 0.454 42 G N -0.066 108.750 108.800 0.027 0.000 2.176 42 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.252 42 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.252 42 G C 0.119 175.056 174.900 0.062 0.000 1.024 42 G CA 0.532 45.658 45.100 0.044 0.000 0.755 42 G HN 0.293 nan 8.290 nan 0.000 0.507 43 L N -0.490 120.778 121.223 0.075 0.000 2.333 43 L HA 0.801 5.139 4.340 -0.004 0.000 0.269 43 L C 0.179 177.089 176.870 0.067 0.000 1.010 43 L CA -0.935 53.962 54.840 0.094 0.000 0.818 43 L CB 2.418 44.590 42.059 0.188 0.000 1.306 43 L HN 0.092 nan 8.230 nan 0.000 0.430 44 T N 2.624 117.208 114.554 0.051 0.000 2.861 44 T HA 0.686 5.034 4.350 -0.004 0.000 0.287 44 T C -0.557 174.165 174.700 0.037 0.000 1.003 44 T CA -0.316 61.803 62.100 0.032 0.000 0.977 44 T CB 1.638 70.510 68.868 0.007 0.000 0.996 44 T HN 0.274 nan 8.240 nan 0.000 0.448 45 I N 2.413 123.008 120.570 0.042 0.000 2.582 45 I HA 0.652 4.820 4.170 -0.004 0.000 0.292 45 I C -0.974 175.155 176.117 0.021 0.000 1.066 45 I CA -1.124 60.203 61.300 0.044 0.000 1.053 45 I CB 2.317 40.377 38.000 0.100 0.000 1.241 45 I HN 0.252 nan 8.210 nan 0.000 0.421 46 V N 5.068 124.985 119.914 0.004 0.000 2.760 46 V HA 0.383 4.500 4.120 -0.004 0.000 0.309 46 V C -0.738 175.352 176.094 -0.006 0.000 1.077 46 V CA -0.608 61.689 62.300 -0.005 0.000 0.910 46 V CB 2.177 33.988 31.823 -0.020 0.000 1.008 46 V HN 0.682 nan 8.190 nan 0.000 0.424 47 Q N 3.370 123.169 119.800 -0.003 0.000 2.333 47 Q HA 0.603 4.941 4.340 -0.004 0.000 0.268 47 Q C -0.729 175.264 176.000 -0.012 0.000 1.007 47 Q CA -0.385 55.416 55.803 -0.003 0.000 0.810 47 Q CB 2.701 31.443 28.738 0.007 0.000 1.264 47 Q HN 0.737 nan 8.270 nan 0.000 0.452 48 Q N 0.245 120.034 119.800 -0.018 0.000 3.331 48 Q HA 0.431 4.769 4.340 -0.004 0.000 0.279 48 Q C 0.164 176.150 176.000 -0.022 0.000 1.025 48 Q CA -0.978 54.812 55.803 -0.022 0.000 0.743 48 Q CB 0.446 29.166 28.738 -0.029 0.000 2.725 48 Q HN 0.749 nan 8.270 nan 0.000 0.380 49 G N 2.134 110.918 108.800 -0.027 0.000 2.635 49 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.289 49 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.289 49 G C -0.042 174.841 174.900 -0.029 0.000 0.705 49 G CA 0.137 45.220 45.100 -0.027 0.000 2.034 49 G HN 0.560 nan 8.290 nan 0.000 0.519 50 N N -0.035 118.651 118.700 -0.024 0.000 2.725 50 N HA -0.155 4.583 4.740 -0.004 0.000 0.249 50 N C 0.052 175.546 175.510 -0.026 0.000 1.103 50 N CA 1.508 54.545 53.050 -0.022 0.000 0.707 50 N CB -0.572 37.899 38.487 -0.026 0.000 1.043 50 N HN 0.639 nan 8.380 nan 0.000 0.553 51 K N -0.331 120.052 120.400 -0.028 0.000 2.477 51 K HA 0.641 4.959 4.320 -0.004 0.000 0.255 51 K C -0.686 175.894 176.600 -0.033 0.000 0.952 51 K CA -0.691 55.573 56.287 -0.038 0.000 0.826 51 K CB 2.742 35.209 32.500 -0.055 0.000 1.331 51 K HN -0.162 nan 8.250 nan 0.000 0.437 52 V N 3.325 123.214 119.914 -0.041 0.000 2.444 52 V HA 0.461 4.579 4.120 -0.004 0.000 0.294 52 V C -0.616 175.429 176.094 -0.082 0.000 1.022 52 V CA -0.754 61.527 62.300 -0.031 0.000 0.850 52 V CB 1.474 33.304 31.823 0.012 0.000 0.992 52 V HN 0.601 nan 8.190 nan 0.000 0.426 53 I N 5.129 125.652 120.570 -0.078 0.000 2.362 53 I HA 0.515 4.683 4.170 -0.004 0.000 0.289 53 I C -0.667 175.386 176.117 -0.107 0.000 0.994 53 I CA -0.805 60.424 61.300 -0.119 0.000 1.158 53 I CB 1.985 39.926 38.000 -0.098 0.000 1.315 53 I HN 0.256 nan 8.210 nan 0.000 0.451 54 V N 6.160 125.974 119.914 -0.167 0.000 2.409 54 V HA 0.369 4.487 4.120 -0.004 0.000 0.291 54 V C -0.122 175.901 176.094 -0.117 0.000 1.020 54 V CA -0.598 61.625 62.300 -0.129 0.000 0.848 54 V CB 1.618 33.323 31.823 -0.196 0.000 0.990 54 V HN 0.699 nan 8.190 nan 0.000 0.430 55 E N 3.526 123.690 120.200 -0.060 0.000 2.207 55 E HA 0.669 5.017 4.350 -0.004 0.000 0.270 55 E C -0.794 175.788 176.600 -0.030 0.000 0.927 55 E CA -0.851 55.515 56.400 -0.058 0.000 0.799 55 E CB 2.785 32.455 29.700 -0.050 0.000 1.172 55 E HN 0.521 nan 8.360 nan 0.000 0.404 56 K N 0.922 121.294 120.400 -0.047 0.000 2.502 56 K HA 0.301 4.619 4.320 -0.004 0.000 0.257 56 K C -0.826 175.744 176.600 -0.050 0.000 0.938 56 K CA -0.593 55.670 56.287 -0.040 0.000 0.819 56 K CB 1.803 34.257 32.500 -0.076 0.000 1.333 56 K HN 0.628 nan 8.250 nan 0.000 0.434 57 S N 2.180 117.859 115.700 -0.034 0.000 2.614 57 S HA 0.483 4.951 4.470 -0.004 0.000 0.265 57 S C -0.505 174.059 174.600 -0.061 0.000 1.303 57 S CA -0.743 57.432 58.200 -0.042 0.000 1.000 57 S CB 0.975 64.160 63.200 -0.025 0.000 0.935 57 S HN 0.455 nan 8.310 nan 0.000 0.551 58 L N 1.727 122.901 121.223 -0.081 0.000 2.441 58 L HA 0.537 4.875 4.340 -0.004 0.000 0.270 58 L C -1.448 175.352 176.870 -0.118 0.000 0.973 58 L CA -0.281 54.489 54.840 -0.116 0.000 0.842 58 L CB 1.664 43.622 42.059 -0.168 0.000 1.239 58 L HN 0.730 nan 8.230 nan 0.000 0.406 59 D N 4.081 124.413 120.400 -0.112 0.000 2.312 59 D HA 0.241 4.879 4.640 -0.004 0.000 0.248 59 D C 1.404 177.619 176.300 -0.141 0.000 1.086 59 D CA -0.334 53.605 54.000 -0.102 0.000 0.948 59 D CB 1.678 42.426 40.800 -0.087 0.000 1.162 59 D HN 0.528 nan 8.370 nan 0.000 0.446 60 L N 0.587 121.752 121.223 -0.096 0.000 2.043 60 L HA -0.206 4.132 4.340 -0.004 0.000 0.212 60 L C 2.013 178.792 176.870 -0.153 0.000 1.075 60 L CA 1.263 56.048 54.840 -0.092 0.000 0.752 60 L CB -0.237 41.813 42.059 -0.015 0.000 0.891 60 L HN 0.174 nan 8.230 nan 0.000 0.432 61 K N 0.129 120.424 120.400 -0.176 0.000 2.444 61 K HA 0.053 4.370 4.320 -0.004 0.000 0.193 61 K C 0.384 176.664 176.600 -0.535 0.000 1.024 61 K CA 0.028 56.149 56.287 -0.278 0.000 1.077 61 K CB 0.001 32.394 32.500 -0.179 0.000 0.833 61 K HN 0.358 nan 8.250 nan 0.000 0.517 62 E N 1.413 121.365 120.200 -0.413 0.000 2.360 62 E HA -0.015 4.332 4.350 -0.004 0.000 0.269 62 E C -0.682 175.580 176.600 -0.564 0.000 1.022 62 E CA -0.103 56.037 56.400 -0.434 0.000 0.887 62 E CB 0.510 30.078 29.700 -0.220 0.000 0.990 62 E HN 0.117 nan 8.360 nan 0.000 0.426 63 H N 4.133 123.041 119.070 -0.270 0.000 2.472 63 H HA 0.361 4.915 4.556 -0.004 0.000 0.338 63 H C -0.281 174.943 175.328 -0.174 0.000 1.133 63 H CA -0.657 55.189 56.048 -0.336 0.000 1.216 63 H CB 1.023 30.338 29.762 -0.746 0.000 1.497 63 H HN 0.366 nan 8.280 nan 0.000 0.500 64 I N 4.990 125.548 120.570 -0.021 0.000 2.418 64 I HA 0.291 4.459 4.170 -0.004 0.000 0.287 64 I C 0.541 176.647 176.117 -0.020 0.000 1.008 64 I CA -0.475 60.817 61.300 -0.015 0.000 1.104 64 I CB 1.240 39.151 38.000 -0.148 0.000 1.264 64 I HN 0.524 nan 8.210 nan 0.000 0.438 65 I N 2.033 122.625 120.570 0.037 0.000 3.108 65 I HA 1.034 5.202 4.170 -0.004 0.000 0.312 65 I C 0.400 176.540 176.117 0.039 0.000 1.095 65 I CA -0.551 60.762 61.300 0.021 0.000 1.000 65 I CB 2.410 40.419 38.000 0.014 0.000 1.229 65 I HN 0.685 nan 8.210 nan 0.000 0.454 66 G N 2.193 110.997 108.800 0.007 0.000 2.443 66 G HA2 -0.121 3.837 3.960 -0.004 0.000 0.209 66 G HA3 -0.121 3.837 3.960 -0.004 0.000 0.209 66 G C 0.104 174.899 174.900 -0.175 0.000 1.176 66 G CA -0.302 44.761 45.100 -0.061 0.000 1.074 66 G HN 1.429 nan 8.290 nan 0.000 0.577 67 L N 0.072 121.153 121.223 -0.236 0.000 4.696 67 L HA -0.158 4.180 4.340 -0.004 0.000 0.425 67 L C 2.143 178.888 176.870 -0.208 0.000 1.115 67 L CA 1.664 56.300 54.840 -0.341 0.000 0.996 67 L CB -1.766 39.946 42.059 -0.579 0.000 2.077 67 L HN 2.982 nan 8.230 nan 0.000 0.792 68 G N 0.384 109.093 108.800 -0.152 0.000 2.556 68 G HA2 -0.391 3.567 3.960 -0.004 0.000 0.283 68 G HA3 -0.391 3.567 3.960 -0.004 0.000 0.283 68 G C -0.016 174.844 174.900 -0.067 0.000 1.177 68 G CA 0.638 45.677 45.100 -0.103 0.000 0.978 68 G HN 0.494 nan 8.290 nan 0.000 0.554 69 E N 1.600 121.775 120.200 -0.042 0.000 1.858 69 E HA 0.356 4.703 4.350 -0.004 0.000 0.267 69 E C -0.385 176.221 176.600 0.011 0.000 1.215 69 E CA -0.090 56.295 56.400 -0.023 0.000 0.952 69 E CB -0.082 29.602 29.700 -0.025 0.000 1.058 69 E HN 0.225 nan 8.360 nan 0.000 0.407 70 K N 1.713 122.148 120.400 0.059 0.000 2.345 70 K HA 0.329 4.647 4.320 -0.004 0.000 0.255 70 K C -0.597 176.162 176.600 0.265 0.000 0.934 70 K CA -0.756 55.657 56.287 0.209 0.000 0.801 70 K CB 1.986 34.619 32.500 0.221 0.000 1.137 70 K HN 0.335 nan 8.250 nan 0.000 0.424 71 A N 3.925 126.911 122.820 0.278 0.000 3.033 71 A HA 0.399 4.717 4.320 -0.004 0.000 0.250 71 A C -0.709 176.797 177.584 -0.130 0.000 1.633 71 A CA 0.148 52.208 52.037 0.038 0.000 1.290 71 A CB -0.898 18.052 19.000 -0.083 0.000 1.048 71 A HN 0.496 nan 8.150 nan 0.000 0.648 72 F N -1.588 118.492 119.950 0.217 0.000 2.692 72 F HA 0.469 4.994 4.527 -0.003 0.000 0.320 72 F C 0.135 176.075 175.800 0.234 0.000 1.123 72 F CA -1.154 57.037 58.000 0.318 0.000 0.961 72 F CB 0.984 40.209 39.000 0.375 0.000 1.383 72 F HN 0.070 nan 8.300 nan 0.000 0.483 73 E N 0.697 121.180 120.200 0.470 0.000 2.437 73 E HA 0.068 4.415 4.350 -0.004 0.000 0.263 73 E C 0.721 177.484 176.600 0.272 0.000 1.030 73 E CA 0.007 56.595 56.400 0.313 0.000 0.934 73 E CB 0.199 30.069 29.700 0.284 0.000 0.943 73 E HN 0.376 nan 8.360 nan 0.000 0.444 74 L N 1.222 122.589 121.223 0.240 0.000 2.079 74 L HA -0.118 4.220 4.340 -0.004 0.000 0.210 74 L C 0.723 177.697 176.870 0.174 0.000 1.081 74 L CA 1.595 56.583 54.840 0.245 0.000 0.752 74 L CB -0.627 41.666 42.059 0.390 0.000 0.896 74 L HN 0.562 nan 8.230 nan 0.000 0.433 75 D N -0.101 120.395 120.400 0.160 0.000 2.339 75 D HA 0.011 4.649 4.640 -0.004 0.000 0.241 75 D C 0.829 177.184 176.300 0.092 0.000 1.183 75 D CA -0.210 53.846 54.000 0.093 0.000 0.859 75 D CB 0.815 41.687 40.800 0.120 0.000 1.067 75 D HN -0.014 nan 8.370 nan 0.000 0.484 76 R N 2.950 123.466 120.500 0.026 0.000 2.323 76 R HA 0.030 4.367 4.340 -0.004 0.000 0.198 76 R C 0.468 176.815 176.300 0.078 0.000 0.988 76 R CA 0.078 56.203 56.100 0.042 0.000 1.041 76 R CB -0.331 29.843 30.300 -0.209 0.000 0.926 76 R HN 0.369 nan 8.270 nan 0.000 0.476 77 K N 1.566 121.966 120.400 -0.001 0.000 2.440 77 K HA 0.014 4.332 4.320 -0.004 0.000 0.270 77 K C 0.354 176.921 176.600 -0.054 0.000 0.980 77 K CA -0.090 56.161 56.287 -0.060 0.000 0.953 77 K CB 0.393 32.826 32.500 -0.112 0.000 0.925 77 K HN -0.115 nan 8.250 nan 0.000 0.497 78 R N -0.166 120.270 120.500 -0.107 0.000 3.418 78 R HA -0.148 4.190 4.340 -0.004 0.000 0.274 78 R C -0.901 175.301 176.300 -0.164 0.000 1.108 78 R CA 0.544 56.579 56.100 -0.107 0.000 0.741 78 R CB -2.084 28.183 30.300 -0.056 0.000 1.223 78 R HN 0.656 nan 8.270 nan 0.000 0.434 79 K N 0.176 120.429 120.400 -0.245 0.000 2.562 79 K HA 0.416 4.733 4.320 -0.004 0.000 0.267 79 K C -1.189 175.083 176.600 -0.547 0.000 0.938 79 K CA -0.808 55.168 56.287 -0.517 0.000 0.840 79 K CB 1.492 33.413 32.500 -0.965 0.000 1.390 79 K HN 0.205 nan 8.250 nan 0.000 0.428 80 R N 3.826 124.004 120.500 -0.538 0.000 2.239 80 R HA 0.342 4.680 4.340 -0.004 0.000 0.332 80 R C -1.075 174.974 176.300 -0.418 0.000 0.988 80 R CA -0.367 55.534 56.100 -0.332 0.000 0.859 80 R CB 0.230 30.409 30.300 -0.201 0.000 1.148 80 R HN 0.563 nan 8.270 nan 0.000 0.482 81 Y N 2.359 122.593 120.300 -0.111 0.000 2.320 81 Y HA 0.358 4.906 4.550 -0.004 0.000 0.324 81 Y C 0.221 176.140 175.900 0.032 0.000 1.190 81 Y CA -0.682 57.375 58.100 -0.073 0.000 1.215 81 Y CB 1.742 40.148 38.460 -0.091 0.000 1.221 81 Y HN 0.145 nan 8.280 nan 0.000 0.486 82 V N 4.740 124.768 119.914 0.189 0.000 2.495 82 V HA 0.327 4.445 4.120 -0.004 0.000 0.298 82 V C -0.323 175.902 176.094 0.217 0.000 1.031 82 V CA -0.976 61.416 62.300 0.155 0.000 0.871 82 V CB 1.549 33.419 31.823 0.079 0.000 0.988 82 V HN 0.645 nan 8.190 nan 0.000 0.432 83 M N 5.805 125.557 119.600 0.254 0.000 2.152 83 M HA 0.438 4.916 4.480 -0.004 0.000 0.354 83 M C -1.256 175.250 176.300 0.344 0.000 1.173 83 M CA -0.292 55.179 55.300 0.286 0.000 1.110 83 M CB -0.093 32.722 32.600 0.358 0.000 1.366 83 M HN 0.692 nan 8.290 nan 0.000 0.415 84 Y N 2.537 122.888 120.300 0.086 0.000 2.294 84 Y HA 0.319 4.867 4.550 -0.004 0.000 0.329 84 Y C -0.540 175.377 175.900 0.029 0.000 1.135 84 Y CA -1.330 56.799 58.100 0.049 0.000 1.213 84 Y CB 0.907 39.385 38.460 0.030 0.000 1.141 84 Y HN 0.559 nan 8.280 nan 0.000 0.446 85 N N 3.102 121.724 118.700 -0.129 0.000 2.294 85 N HA 0.201 4.939 4.740 -0.004 0.000 0.263 85 N C -0.788 174.625 175.510 -0.162 0.000 1.281 85 N CA 0.485 53.465 53.050 -0.118 0.000 0.846 85 N CB 1.041 39.447 38.487 -0.135 0.000 1.061 85 N HN 0.391 nan 8.380 nan 0.000 0.478 86 V N 1.761 121.618 119.914 -0.094 0.000 3.012 86 V HA 0.158 4.276 4.120 -0.004 0.000 0.307 86 V C -1.140 174.890 176.094 -0.107 0.000 1.166 86 V CA -1.032 61.216 62.300 -0.087 0.000 0.974 86 V CB 2.377 34.184 31.823 -0.026 0.000 1.040 86 V HN 0.632 nan 8.190 nan 0.000 0.428 87 D N 4.669 125.053 120.400 -0.027 0.000 2.348 87 D HA 0.238 4.876 4.640 -0.004 0.000 0.259 87 D C 0.881 177.179 176.300 -0.003 0.000 1.296 87 D CA 0.553 54.606 54.000 0.088 0.000 0.931 87 D CB 1.715 42.590 40.800 0.126 0.000 1.067 87 D HN 0.754 nan 8.370 nan 0.000 0.503 88 A N 3.508 126.169 122.820 -0.265 0.000 2.209 88 A HA 0.295 4.613 4.320 -0.004 0.000 0.212 88 A C 1.488 179.143 177.584 0.119 0.000 1.158 88 A CA 0.992 52.932 52.037 -0.163 0.000 0.742 88 A CB -0.562 18.176 19.000 -0.436 0.000 0.790 88 A HN 0.885 nan 8.150 nan 0.000 0.472 89 G N -0.792 108.154 108.800 0.242 0.000 2.566 89 G HA2 0.055 4.013 3.960 -0.004 0.000 0.280 89 G HA3 0.055 4.013 3.960 -0.004 0.000 0.280 89 G C 0.588 175.669 174.900 0.302 0.000 1.225 89 G CA 0.233 45.504 45.100 0.286 0.000 0.966 89 G HN 1.715 nan 8.290 nan 0.000 0.560 90 A N 0.708 123.651 122.820 0.205 0.000 3.037 90 A HA 0.614 4.932 4.320 -0.004 0.000 0.272 90 A C 0.353 177.963 177.584 0.043 0.000 1.723 90 A CA 0.580 52.693 52.037 0.128 0.000 1.413 90 A CB -1.268 17.780 19.000 0.081 0.000 1.112 90 A HN 1.844 nan 8.150 nan 0.000 0.606 91 Y N -0.294 120.074 120.300 0.113 0.000 2.550 91 Y HA 0.471 5.019 4.550 -0.004 0.000 0.343 91 Y C 0.193 176.125 175.900 0.054 0.000 1.245 91 Y CA -0.369 57.762 58.100 0.052 0.000 1.462 91 Y CB 0.483 38.953 38.460 0.016 0.000 1.340 91 Y HN 0.415 nan 8.280 nan 0.000 0.604 92 K N 2.098 122.618 120.400 0.199 0.000 2.346 92 K HA 0.358 4.676 4.320 -0.004 0.000 0.238 92 K C -0.961 175.681 176.600 0.069 0.000 1.039 92 K CA -1.462 54.880 56.287 0.092 0.000 0.861 92 K CB 1.700 34.220 32.500 0.033 0.000 1.278 92 K HN 0.751 nan 8.250 nan 0.000 0.460 93 K N 0.303 120.652 120.400 -0.086 0.000 2.319 93 K HA 0.017 4.335 4.320 -0.004 0.000 0.265 93 K C -0.761 175.603 176.600 -0.394 0.000 1.000 93 K CA -0.078 56.007 56.287 -0.335 0.000 0.943 93 K CB 0.161 32.303 32.500 -0.597 0.000 0.950 93 K HN 0.581 nan 8.250 nan 0.000 0.485 94 Y N -2.574 117.416 120.300 -0.518 0.000 4.841 94 Y HA -0.278 4.270 4.550 -0.004 0.000 0.242 94 Y C -0.032 175.710 175.900 -0.263 0.000 1.002 94 Y CA 1.109 58.713 58.100 -0.826 0.000 2.011 94 Y CB -2.478 35.739 38.460 -0.404 0.000 1.554 94 Y HN 0.827 nan 8.280 nan 0.000 0.618 95 Q N 1.161 120.965 119.800 0.008 0.000 2.261 95 Q HA 0.489 4.826 4.340 -0.004 0.000 0.252 95 Q C -0.679 175.441 176.000 0.201 0.000 0.915 95 Q CA -0.324 55.552 55.803 0.121 0.000 0.915 95 Q CB 1.355 30.153 28.738 0.101 0.000 1.204 95 Q HN 0.293 nan 8.270 nan 0.000 0.421 96 D N 3.243 123.771 120.400 0.212 0.000 2.837 96 D HA 0.439 5.077 4.640 -0.004 0.000 0.220 96 D C -2.574 173.798 176.300 0.121 0.000 1.236 96 D CA -1.135 52.994 54.000 0.214 0.000 0.838 96 D CB 1.695 42.686 40.800 0.318 0.000 1.647 96 D HN 0.365 nan 8.370 nan 0.000 0.486 97 P HA 0.477 nan 4.420 nan 0.000 0.284 97 P C -0.613 176.670 177.300 -0.028 0.000 1.292 97 P CA -0.607 62.544 63.100 0.085 0.000 0.800 97 P CB 1.474 33.244 31.700 0.117 0.000 1.188 98 L N -1.690 119.480 121.223 -0.088 0.000 2.670 98 L HA 0.320 4.658 4.340 -0.004 0.000 0.251 98 L C 2.056 178.758 176.870 -0.280 0.000 1.548 98 L CA -0.742 53.907 54.840 -0.319 0.000 1.643 98 L CB -0.318 41.536 42.059 -0.341 0.000 2.174 98 L HN 0.255 nan 8.230 nan 0.000 0.585 99 Y N -0.505 119.724 120.300 -0.119 0.000 2.314 99 Y HA 0.046 4.593 4.550 -0.004 0.000 0.293 99 Y C 0.733 176.582 175.900 -0.084 0.000 1.129 99 Y CA 0.178 58.207 58.100 -0.119 0.000 1.201 99 Y CB -0.304 38.045 38.460 -0.184 0.000 0.999 99 Y HN -0.031 nan 8.280 nan 0.000 0.541 100 V N -0.222 119.748 119.914 0.093 0.000 2.547 100 V HA 0.395 4.512 4.120 -0.004 0.000 0.299 100 V C -0.263 175.877 176.094 0.076 0.000 1.040 100 V CA -0.962 61.379 62.300 0.068 0.000 0.913 100 V CB 1.820 33.664 31.823 0.034 0.000 0.992 100 V HN -0.035 nan 8.190 nan 0.000 0.449 101 S N 5.248 121.025 115.700 0.129 0.000 2.718 101 S HA 0.553 5.021 4.470 -0.004 0.000 0.294 101 S C -0.599 174.116 174.600 0.191 0.000 1.157 101 S CA -0.362 57.947 58.200 0.182 0.000 1.121 101 S CB 0.438 63.797 63.200 0.265 0.000 1.015 101 S HN 0.459 nan 8.310 nan 0.000 0.479 102 I N 4.410 125.024 120.570 0.073 0.000 2.388 102 I HA 0.322 4.489 4.170 -0.004 0.000 0.281 102 I C -2.522 173.628 176.117 0.054 0.000 1.046 102 I CA -2.753 58.545 61.300 -0.003 0.000 1.187 102 I CB 0.780 38.717 38.000 -0.106 0.000 1.351 102 I HN 0.195 nan 8.210 nan 0.000 0.472 103 P HA 0.139 nan 4.420 nan 0.000 0.238 103 P C -0.403 177.220 177.300 0.539 0.000 1.714 103 P CA 0.052 63.432 63.100 0.467 0.000 0.908 103 P CB -0.107 32.021 31.700 0.714 0.000 1.893 104 L N 1.754 123.075 121.223 0.163 0.000 2.385 104 L HA 0.761 5.099 4.340 -0.004 0.000 0.273 104 L C -1.200 175.681 176.870 0.019 0.000 0.990 104 L CA -1.177 53.721 54.840 0.097 0.000 0.821 104 L CB 1.075 42.954 42.059 -0.300 0.000 1.279 104 L HN -0.031 nan 8.230 nan 0.000 0.412 105 F N 4.036 124.012 119.950 0.043 0.000 2.588 105 F HA 0.820 5.344 4.527 -0.004 0.000 0.310 105 F C -1.532 174.344 175.800 0.127 0.000 1.082 105 F CA -1.292 56.700 58.000 -0.012 0.000 0.929 105 F CB 1.077 40.029 39.000 -0.080 0.000 1.254 105 F HN 0.306 nan 8.300 nan 0.000 0.455 106 I N 2.699 123.446 120.570 0.295 0.000 2.404 106 I HA 0.428 4.596 4.170 -0.004 0.000 0.293 106 I C -0.346 175.974 176.117 0.337 0.000 0.992 106 I CA -0.863 60.568 61.300 0.218 0.000 1.149 106 I CB 2.043 40.105 38.000 0.103 0.000 1.315 106 I HN 0.793 nan 8.210 nan 0.000 0.446 107 S N 5.502 121.412 115.700 0.350 0.000 2.489 107 S HA 0.648 5.115 4.470 -0.004 0.000 0.291 107 S C -0.780 173.921 174.600 0.169 0.000 1.151 107 S CA -0.479 57.897 58.200 0.294 0.000 1.082 107 S CB 1.160 64.593 63.200 0.389 0.000 1.019 107 S HN 0.339 nan 8.310 nan 0.000 0.492 108 V N 5.808 125.783 119.914 0.102 0.000 2.349 108 V HA 0.512 4.630 4.120 -0.004 0.000 0.284 108 V C -0.186 175.911 176.094 0.004 0.000 1.014 108 V CA -0.693 61.657 62.300 0.084 0.000 0.826 108 V CB 1.090 32.998 31.823 0.143 0.000 1.009 108 V HN 0.874 nan 8.190 nan 0.000 0.431 109 K N 3.262 123.670 120.400 0.013 0.000 2.376 109 K HA 0.423 4.741 4.320 -0.004 0.000 0.257 109 K C -0.346 176.252 176.600 -0.003 0.000 0.939 109 K CA -0.492 55.776 56.287 -0.031 0.000 0.809 109 K CB 1.163 33.655 32.500 -0.014 0.000 1.121 109 K HN 0.668 nan 8.250 nan 0.000 0.425 110 D N 3.312 123.702 120.400 -0.017 0.000 2.772 110 D HA -0.199 4.439 4.640 -0.004 0.000 0.233 110 D C 0.632 176.954 176.300 0.037 0.000 1.143 110 D CA 1.680 55.685 54.000 0.009 0.000 0.700 110 D CB -1.122 39.682 40.800 0.008 0.000 1.076 110 D HN 1.100 nan 8.370 nan 0.000 0.430 111 G N -1.997 106.839 108.800 0.060 0.000 2.184 111 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.264 111 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.264 111 G C 0.390 175.333 174.900 0.072 0.000 0.975 111 G CA 0.423 45.576 45.100 0.090 0.000 0.642 111 G HN 0.595 nan 8.290 nan 0.000 0.536 112 V N 1.068 121.014 119.914 0.054 0.000 2.427 112 V HA 0.775 4.893 4.120 -0.004 0.000 0.286 112 V C 0.669 176.795 176.094 0.052 0.000 1.034 112 V CA -0.237 62.089 62.300 0.043 0.000 0.893 112 V CB 1.499 33.341 31.823 0.032 0.000 0.982 112 V HN 1.031 nan 8.190 nan 0.000 0.452 113 A N 3.874 126.719 122.820 0.041 0.000 2.306 113 A HA 0.859 5.177 4.320 -0.004 0.000 0.314 113 A C 0.040 177.637 177.584 0.022 0.000 1.164 113 A CA -0.359 51.707 52.037 0.048 0.000 0.822 113 A CB 0.916 19.936 19.000 0.034 0.000 1.130 113 A HN 0.774 nan 8.150 nan 0.000 0.496 114 T N 0.939 115.512 114.554 0.032 0.000 2.952 114 T HA 0.630 4.978 4.350 -0.004 0.000 0.305 114 T C 0.097 174.704 174.700 -0.154 0.000 1.064 114 T CA -0.051 62.007 62.100 -0.069 0.000 1.008 114 T CB 1.835 70.676 68.868 -0.044 0.000 1.078 114 T HN 1.094 nan 8.240 nan 0.000 0.459 115 G N 1.010 109.620 108.800 -0.318 0.000 2.410 115 G HA2 0.653 4.611 3.960 -0.004 0.000 0.330 115 G HA3 0.653 4.611 3.960 -0.004 0.000 0.330 115 G C -1.775 172.721 174.900 -0.673 0.000 1.142 115 G CA -0.533 44.371 45.100 -0.327 0.000 0.902 115 G HN 0.622 nan 8.290 nan 0.000 0.491 116 Y N 0.422 120.530 120.300 -0.320 0.000 2.322 116 Y HA 0.411 4.959 4.550 -0.004 0.000 0.324 116 Y C -0.987 174.859 175.900 -0.090 0.000 1.027 116 Y CA -0.978 56.929 58.100 -0.322 0.000 1.179 116 Y CB 2.106 40.154 38.460 -0.685 0.000 1.136 116 Y HN 0.512 nan 8.280 nan 0.000 0.449 117 F N 5.088 125.012 119.950 -0.044 0.000 2.427 117 F HA 0.647 5.171 4.527 -0.004 0.000 0.348 117 F C -1.820 174.069 175.800 0.149 0.000 1.125 117 F CA -2.352 55.727 58.000 0.132 0.000 0.989 117 F CB 0.421 39.509 39.000 0.147 0.000 1.165 117 F HN 0.232 nan 8.300 nan 0.000 0.442 118 F N 4.884 124.917 119.950 0.137 0.000 2.334 118 F HA 0.260 4.785 4.527 -0.004 0.000 0.367 118 F C 0.761 176.437 175.800 -0.208 0.000 1.115 118 F CA -0.778 57.241 58.000 0.032 0.000 1.116 118 F CB 0.482 39.563 39.000 0.135 0.000 1.230 118 F HN 0.449 nan 8.300 nan 0.000 0.484 119 N N 2.569 121.120 118.700 -0.248 0.000 3.103 119 N HA 0.026 4.763 4.740 -0.004 0.000 0.305 119 N C -0.844 174.831 175.510 0.275 0.000 1.232 119 N CA 0.173 53.209 53.050 -0.024 0.000 1.190 119 N CB 0.053 38.617 38.487 0.127 0.000 1.461 119 N HN 0.416 nan 8.380 nan 0.000 0.538 120 S N 0.323 116.244 115.700 0.369 0.000 2.571 120 S HA 0.685 5.153 4.470 -0.004 0.000 0.284 120 S C 0.044 174.828 174.600 0.307 0.000 1.128 120 S CA -0.629 57.738 58.200 0.277 0.000 0.970 120 S CB 1.137 64.462 63.200 0.208 0.000 1.039 120 S HN 0.358 nan 8.310 nan 0.000 0.485 121 A N 3.151 126.016 122.820 0.075 0.000 2.460 121 A HA 0.480 4.798 4.320 -0.004 0.000 0.258 121 A C 0.899 178.501 177.584 0.031 0.000 1.300 121 A CA 0.022 51.999 52.037 -0.100 0.000 0.913 121 A CB -0.612 18.109 19.000 -0.466 0.000 1.031 121 A HN 0.991 nan 8.150 nan 0.000 0.512 122 S N -0.519 115.242 115.700 0.101 0.000 2.671 122 S HA 0.332 4.800 4.470 -0.004 0.000 0.272 122 S C 0.331 175.048 174.600 0.196 0.000 1.174 122 S CA -0.591 57.683 58.200 0.124 0.000 1.004 122 S CB 0.431 63.671 63.200 0.065 0.000 1.077 122 S HN 0.280 nan 8.310 nan 0.000 0.553 123 K N 1.395 121.872 120.400 0.128 0.000 2.121 123 K HA 0.257 4.575 4.320 -0.004 0.000 0.235 123 K C -0.957 175.642 176.600 -0.002 0.000 1.200 123 K CA -0.317 55.988 56.287 0.030 0.000 1.115 123 K CB -0.865 31.403 32.500 -0.387 0.000 1.474 123 K HN 0.448 nan 8.250 nan 0.000 0.295 124 V N 5.158 125.116 119.914 0.073 0.000 2.555 124 V HA 0.086 4.204 4.120 -0.004 0.000 0.286 124 V C 0.481 176.546 176.094 -0.050 0.000 1.044 124 V CA -0.383 61.896 62.300 -0.035 0.000 1.026 124 V CB 0.879 32.708 31.823 0.010 0.000 0.981 124 V HN 0.491 nan 8.190 nan 0.000 0.480 125 I N 5.241 125.681 120.570 -0.216 0.000 2.354 125 I HA 0.406 4.573 4.170 -0.004 0.000 0.292 125 I C -0.470 175.453 176.117 -0.323 0.000 0.989 125 I CA -0.442 60.768 61.300 -0.152 0.000 1.188 125 I CB 1.056 38.967 38.000 -0.149 0.000 1.342 125 I HN 0.416 nan 8.210 nan 0.000 0.457 126 F N 4.103 124.008 119.950 -0.074 0.000 2.311 126 F HA 0.237 4.762 4.527 -0.003 0.000 0.371 126 F C 0.751 176.502 175.800 -0.081 0.000 1.083 126 F CA -0.644 57.288 58.000 -0.113 0.000 1.113 126 F CB 0.739 39.683 39.000 -0.093 0.000 1.349 126 F HN 0.373 nan 8.300 nan 0.000 0.470 127 D N 4.101 124.476 120.400 -0.043 0.000 2.441 127 D HA 0.146 4.784 4.640 -0.004 0.000 0.221 127 D C -0.538 175.703 176.300 -0.097 0.000 1.156 127 D CA 0.026 53.980 54.000 -0.077 0.000 0.896 127 D CB 1.105 41.837 40.800 -0.114 0.000 1.028 127 D HN 0.162 nan 8.370 nan 0.000 0.509 128 V N 3.513 123.384 119.914 -0.071 0.000 2.267 128 V HA 0.305 4.423 4.120 -0.004 0.000 0.254 128 V C 1.431 177.434 176.094 -0.152 0.000 1.144 128 V CA -0.092 62.130 62.300 -0.131 0.000 0.992 128 V CB 0.382 32.151 31.823 -0.090 0.000 1.199 128 V HN 0.797 nan 8.190 nan 0.000 0.493 129 G N 3.650 112.350 108.800 -0.168 0.000 2.246 129 G HA2 -0.218 3.739 3.960 -0.004 0.000 0.273 129 G HA3 -0.218 3.739 3.960 -0.004 0.000 0.273 129 G C 0.464 175.284 174.900 -0.132 0.000 1.055 129 G CA 0.580 45.565 45.100 -0.192 0.000 0.851 129 G HN 0.547 nan 8.290 nan 0.000 0.500 130 L N -0.845 120.319 121.223 -0.097 0.000 2.541 130 L HA 0.357 4.695 4.340 -0.004 0.000 0.187 130 L C 2.311 179.156 176.870 -0.041 0.000 1.098 130 L CA 1.649 56.448 54.840 -0.069 0.000 0.846 130 L CB -0.410 41.582 42.059 -0.113 0.000 1.151 130 L HN 0.439 nan 8.230 nan 0.000 0.492 131 E N 0.110 120.275 120.200 -0.059 0.000 2.051 131 E HA -0.142 4.206 4.350 -0.004 0.000 0.192 131 E C -0.230 176.355 176.600 -0.024 0.000 0.991 131 E CA 0.906 57.278 56.400 -0.048 0.000 0.799 131 E CB 0.424 30.085 29.700 -0.065 0.000 0.748 131 E HN 0.258 nan 8.360 nan 0.000 0.449 132 E N -0.279 119.906 120.200 -0.025 0.000 2.220 132 E HA 0.025 4.372 4.350 -0.004 0.000 0.256 132 E C -0.500 176.116 176.600 0.026 0.000 0.881 132 E CA -0.478 55.925 56.400 0.005 0.000 0.766 132 E CB 1.077 30.767 29.700 -0.018 0.000 1.187 132 E HN 0.229 nan 8.360 nan 0.000 0.419 133 Y N 3.193 123.458 120.300 -0.058 0.000 2.228 133 Y HA -0.263 4.284 4.550 -0.004 0.000 0.285 133 Y C 1.252 177.116 175.900 -0.059 0.000 1.178 133 Y CA 2.508 60.574 58.100 -0.057 0.000 1.202 133 Y CB 0.459 38.890 38.460 -0.048 0.000 0.974 133 Y HN 0.410 nan 8.280 nan 0.000 0.527 134 D N -0.994 119.423 120.400 0.030 0.000 2.525 134 D HA 0.166 4.804 4.640 -0.004 0.000 0.229 134 D C -0.385 175.874 176.300 -0.069 0.000 1.202 134 D CA -0.040 53.937 54.000 -0.037 0.000 0.828 134 D CB -0.093 40.731 40.800 0.039 0.000 1.008 134 D HN 0.236 nan 8.370 nan 0.000 0.493 135 K N -0.544 119.800 120.400 -0.093 0.000 2.532 135 K HA 0.515 4.833 4.320 -0.004 0.000 0.265 135 K C -1.490 175.032 176.600 -0.130 0.000 0.948 135 K CA -0.961 55.269 56.287 -0.095 0.000 0.842 135 K CB 3.205 35.663 32.500 -0.069 0.000 1.392 135 K HN -0.205 nan 8.250 nan 0.000 0.436 136 V N 3.578 123.410 119.914 -0.138 0.000 2.334 136 V HA 0.435 4.553 4.120 -0.004 0.000 0.281 136 V C -0.538 175.463 176.094 -0.155 0.000 1.016 136 V CA -0.651 61.540 62.300 -0.182 0.000 0.832 136 V CB 0.921 32.599 31.823 -0.243 0.000 0.999 136 V HN 0.564 nan 8.190 nan 0.000 0.439 137 I N 5.387 125.857 120.570 -0.166 0.000 2.362 137 I HA 0.495 4.662 4.170 -0.004 0.000 0.289 137 I C -0.560 175.392 176.117 -0.275 0.000 0.994 137 I CA -0.787 60.404 61.300 -0.181 0.000 1.158 137 I CB 2.012 39.924 38.000 -0.146 0.000 1.315 137 I HN 0.250 nan 8.210 nan 0.000 0.451 138 V N 5.057 124.744 119.914 -0.378 0.000 2.417 138 V HA 0.398 4.516 4.120 -0.004 0.000 0.291 138 V C 0.005 175.782 176.094 -0.529 0.000 1.024 138 V CA -0.367 61.531 62.300 -0.669 0.000 0.861 138 V CB 1.781 32.929 31.823 -1.125 0.000 0.985 138 V HN 0.723 nan 8.190 nan 0.000 0.436 139 T N 6.326 120.594 114.554 -0.476 0.000 2.770 139 T HA 0.660 5.008 4.350 -0.004 0.000 0.283 139 T C -0.456 174.066 174.700 -0.298 0.000 0.988 139 T CA -0.167 61.746 62.100 -0.312 0.000 0.957 139 T CB 0.956 69.694 68.868 -0.217 0.000 0.930 139 T HN 0.314 nan 8.240 nan 0.000 0.443 140 I N 6.043 126.483 120.570 -0.217 0.000 2.330 140 I HA 0.306 4.474 4.170 -0.004 0.000 0.289 140 I C -1.850 174.219 176.117 -0.079 0.000 1.001 140 I CA -2.549 58.670 61.300 -0.134 0.000 1.193 140 I CB 1.588 39.549 38.000 -0.065 0.000 1.345 140 I HN 0.331 nan 8.210 nan 0.000 0.461 141 P HA 0.090 nan 4.420 nan 0.000 0.238 141 P C -0.708 176.576 177.300 -0.027 0.000 1.714 141 P CA 0.269 63.336 63.100 -0.054 0.000 0.908 141 P CB -0.131 31.529 31.700 -0.067 0.000 1.893 142 E N 0.142 120.334 120.200 -0.014 0.000 2.413 142 E HA 0.090 4.437 4.350 -0.004 0.000 0.277 142 E C -0.162 176.443 176.600 0.008 0.000 0.958 142 E CA -0.591 55.812 56.400 0.005 0.000 0.779 142 E CB 1.222 30.942 29.700 0.032 0.000 1.278 142 E HN -0.046 nan 8.360 nan 0.000 0.456 143 D N -0.397 120.009 120.400 0.011 0.000 2.317 143 D HA -0.013 4.624 4.640 -0.004 0.000 0.211 143 D C 0.211 176.530 176.300 0.031 0.000 0.966 143 D CA 0.502 54.509 54.000 0.012 0.000 0.876 143 D CB 0.330 41.133 40.800 0.004 0.000 0.927 143 D HN 0.063 nan 8.370 nan 0.000 0.519 144 S N -1.227 114.503 115.700 0.049 0.000 2.599 144 S HA 0.719 5.186 4.470 -0.004 0.000 0.287 144 S C -1.280 173.378 174.600 0.098 0.000 1.105 144 S CA -0.795 57.448 58.200 0.072 0.000 0.899 144 S CB 2.641 65.885 63.200 0.074 0.000 1.100 144 S HN 0.082 nan 8.310 nan 0.000 0.482 145 V N 1.748 121.735 119.914 0.122 0.000 3.174 145 V HA 0.496 4.614 4.120 -0.004 0.000 0.280 145 V C -2.145 174.049 176.094 0.167 0.000 1.554 145 V CA -0.791 61.605 62.300 0.160 0.000 1.016 145 V CB 2.192 34.135 31.823 0.200 0.000 1.197 145 V HN 1.050 nan 8.190 nan 0.000 0.453 146 E N 4.743 125.026 120.200 0.139 0.000 2.199 146 E HA 0.746 5.094 4.350 -0.004 0.000 0.265 146 E C -1.320 175.280 176.600 -0.000 0.000 0.882 146 E CA -0.601 55.797 56.400 -0.003 0.000 0.759 146 E CB 2.041 31.701 29.700 -0.066 0.000 1.148 146 E HN 0.711 nan 8.360 nan 0.000 0.412 147 F N 0.451 120.201 119.950 -0.333 0.000 2.640 147 F HA 0.711 5.236 4.527 -0.004 0.000 0.324 147 F C -1.576 173.920 175.800 -0.506 0.000 1.077 147 F CA -1.469 56.273 58.000 -0.430 0.000 0.965 147 F CB 1.037 39.599 39.000 -0.731 0.000 1.351 147 F HN 0.298 nan 8.300 nan 0.000 0.487 148 Y N 0.323 120.548 120.300 -0.125 0.000 2.462 148 Y HA 0.663 5.211 4.550 -0.004 0.000 0.346 148 Y C -0.765 175.095 175.900 -0.068 0.000 0.976 148 Y CA -1.673 56.376 58.100 -0.084 0.000 1.044 148 Y CB 2.082 40.582 38.460 0.066 0.000 1.230 148 Y HN 0.547 nan 8.280 nan 0.000 0.455 149 V N 4.961 124.906 119.914 0.050 0.000 2.347 149 V HA 0.405 4.523 4.120 -0.004 0.000 0.280 149 V C -0.251 175.833 176.094 -0.017 0.000 1.021 149 V CA -0.709 61.509 62.300 -0.136 0.000 0.847 149 V CB 0.901 32.643 31.823 -0.135 0.000 0.990 149 V HN 0.578 nan 8.190 nan 0.000 0.444 150 I N 4.506 124.989 120.570 -0.146 0.000 2.328 150 I HA 0.383 4.551 4.170 -0.004 0.000 0.287 150 I C 0.292 176.363 176.117 -0.076 0.000 1.012 150 I CA -0.616 60.652 61.300 -0.053 0.000 1.195 150 I CB 1.170 39.141 38.000 -0.047 0.000 1.350 150 I HN 0.495 nan 8.210 nan 0.000 0.464 151 E N 4.039 124.242 120.200 0.006 0.000 2.404 151 E HA 0.175 4.523 4.350 -0.004 0.000 0.261 151 E C 0.581 177.171 176.600 -0.016 0.000 1.074 151 E CA 0.056 56.461 56.400 0.008 0.000 0.917 151 E CB 1.351 31.094 29.700 0.073 0.000 0.965 151 E HN 0.768 nan 8.360 nan 0.000 0.433 152 G N 2.036 110.827 108.800 -0.016 0.000 2.992 152 G HA2 0.038 3.996 3.960 -0.004 0.000 0.195 152 G HA3 0.038 3.996 3.960 -0.004 0.000 0.195 152 G C -1.411 173.477 174.900 -0.020 0.000 2.032 152 G CA -0.067 45.018 45.100 -0.025 0.000 0.831 152 G HN 0.436 nan 8.290 nan 0.000 0.647 153 P HA 0.121 nan 4.420 nan 0.000 0.240 153 P C 0.298 177.582 177.300 -0.027 0.000 1.190 153 P CA 0.217 63.309 63.100 -0.012 0.000 0.781 153 P CB 0.415 32.114 31.700 -0.003 0.000 0.931 154 R N -0.222 120.243 120.500 -0.058 0.000 2.500 154 R HA 0.348 4.686 4.340 -0.004 0.000 0.275 154 R C 1.707 177.927 176.300 -0.134 0.000 1.051 154 R CA -0.627 55.410 56.100 -0.106 0.000 1.088 154 R CB 0.927 31.139 30.300 -0.148 0.000 1.063 154 R HN -0.025 nan 8.270 nan 0.000 0.511 155 I N 1.238 121.695 120.570 -0.189 0.000 2.264 155 I HA -0.302 3.866 4.170 -0.004 0.000 0.248 155 I C 2.399 178.373 176.117 -0.237 0.000 1.111 155 I CA 1.460 62.652 61.300 -0.180 0.000 1.382 155 I CB -0.205 37.685 38.000 -0.182 0.000 1.060 155 I HN 0.742 nan 8.210 nan 0.000 0.418 156 E N 1.012 120.952 120.200 -0.434 0.000 2.153 156 E HA -0.253 4.095 4.350 -0.004 0.000 0.194 156 E C 1.576 178.117 176.600 -0.099 0.000 0.988 156 E CA 1.374 57.598 56.400 -0.293 0.000 0.811 156 E CB 0.113 29.563 29.700 -0.417 0.000 0.746 156 E HN 0.431 nan 8.360 nan 0.000 0.466 157 D N -0.108 120.230 120.400 -0.103 0.000 2.144 157 D HA -0.131 4.507 4.640 -0.004 0.000 0.200 157 D C 2.036 178.318 176.300 -0.030 0.000 0.978 157 D CA 0.883 54.855 54.000 -0.047 0.000 0.833 157 D CB -0.059 40.711 40.800 -0.050 0.000 0.961 157 D HN 0.134 nan 8.370 nan 0.000 0.470 158 V N 1.294 121.184 119.914 -0.041 0.000 2.307 158 V HA -0.191 3.927 4.120 -0.004 0.000 0.245 158 V C 2.661 178.752 176.094 -0.004 0.000 1.045 158 V CA 1.064 63.344 62.300 -0.034 0.000 1.024 158 V CB -0.430 31.363 31.823 -0.050 0.000 0.651 158 V HN 0.187 nan 8.190 nan 0.000 0.449 159 L N -0.398 120.834 121.223 0.014 0.000 2.141 159 L HA -0.165 4.173 4.340 -0.004 0.000 0.209 159 L C 2.580 179.490 176.870 0.067 0.000 1.094 159 L CA 1.481 56.356 54.840 0.059 0.000 0.763 159 L CB -0.587 41.531 42.059 0.097 0.000 0.908 159 L HN 0.424 nan 8.230 nan 0.000 0.437 160 E N 0.306 120.539 120.200 0.056 0.000 2.051 160 E HA -0.217 4.131 4.350 -0.004 0.000 0.192 160 E C 2.182 178.752 176.600 -0.050 0.000 0.991 160 E CA 1.115 57.526 56.400 0.019 0.000 0.799 160 E CB 0.012 29.740 29.700 0.047 0.000 0.748 160 E HN 0.438 nan 8.360 nan 0.000 0.449 161 K N 0.215 120.589 120.400 -0.043 0.000 2.057 161 K HA -0.193 4.125 4.320 -0.004 0.000 0.207 161 K C 2.204 178.719 176.600 -0.141 0.000 1.049 161 K CA 1.328 57.566 56.287 -0.082 0.000 0.931 161 K CB -0.329 32.137 32.500 -0.056 0.000 0.714 161 K HN 0.159 nan 8.250 nan 0.000 0.440 162 Y N 2.300 122.462 120.300 -0.230 0.000 2.145 162 Y HA -0.246 4.302 4.550 -0.003 0.000 0.286 162 Y C 2.229 177.887 175.900 -0.403 0.000 1.145 162 Y CA 1.844 59.732 58.100 -0.354 0.000 1.148 162 Y CB -0.553 37.698 38.460 -0.348 0.000 0.981 162 Y HN -0.052 nan 8.280 nan 0.000 0.507 163 T N -0.036 114.304 114.554 -0.357 0.000 2.821 163 T HA -0.191 4.157 4.350 -0.004 0.000 0.267 163 T C 1.601 176.056 174.700 -0.408 0.000 1.046 163 T CA 1.542 63.390 62.100 -0.419 0.000 1.139 163 T CB -0.266 68.474 68.868 -0.214 0.000 0.871 163 T HN 0.405 nan 8.240 nan 0.000 0.454 164 E N 0.992 121.008 120.200 -0.307 0.000 2.077 164 E HA -0.052 4.296 4.350 -0.004 0.000 0.193 164 E C 2.017 178.431 176.600 -0.309 0.000 0.989 164 E CA 0.842 57.093 56.400 -0.249 0.000 0.800 164 E CB -0.475 29.119 29.700 -0.177 0.000 0.746 164 E HN 0.385 nan 8.360 nan 0.000 0.452 165 L N 0.168 121.131 121.223 -0.433 0.000 2.005 165 L HA -0.119 4.218 4.340 -0.004 0.000 0.207 165 L C 2.318 178.769 176.870 -0.698 0.000 1.072 165 L CA 2.142 56.672 54.840 -0.516 0.000 0.744 165 L CB -0.675 40.996 42.059 -0.647 0.000 0.895 165 L HN 0.451 nan 8.230 nan 0.000 0.433 166 T N -3.263 110.648 114.554 -1.071 0.000 3.067 166 T HA 0.318 4.666 4.350 -0.004 0.000 0.257 166 T C 0.753 175.125 174.700 -0.547 0.000 1.105 166 T CA 0.378 61.764 62.100 -1.189 0.000 1.104 166 T CB 0.360 68.276 68.868 -1.587 0.000 0.925 166 T HN 0.530 nan 8.240 nan 0.000 0.498 167 G N 1.210 109.723 108.800 -0.478 0.000 2.801 167 G HA2 0.195 4.153 3.960 -0.004 0.000 0.648 167 G HA3 0.195 4.153 3.960 -0.004 0.000 0.648 167 G C -1.246 173.453 174.900 -0.335 0.000 1.415 167 G CA -1.204 43.693 45.100 -0.339 0.000 0.887 167 G HN 0.239 nan 8.290 nan 0.000 0.627 168 K N 1.420 121.667 120.400 -0.256 0.000 2.237 168 K HA 0.418 4.736 4.320 -0.004 0.000 0.270 168 K C -2.262 174.215 176.600 -0.205 0.000 1.015 168 K CA -1.525 54.630 56.287 -0.220 0.000 0.949 168 K CB 1.056 33.459 32.500 -0.161 0.000 0.976 168 K HN 0.253 nan 8.250 nan 0.000 0.472 169 P HA 0.013 nan 4.420 nan 0.000 0.271 169 P C -0.338 176.982 177.300 0.034 0.000 1.216 169 P CA -0.233 62.777 63.100 -0.150 0.000 0.776 169 P CB 0.179 31.645 31.700 -0.389 0.000 0.881 170 F N 2.658 122.602 119.950 -0.009 0.000 2.490 170 F HA 0.365 4.890 4.527 -0.004 0.000 0.336 170 F C -0.302 175.652 175.800 0.256 0.000 1.178 170 F CA -1.253 56.817 58.000 0.116 0.000 1.301 170 F CB -0.243 38.880 39.000 0.205 0.000 1.175 170 F HN 0.070 nan 8.300 nan 0.000 0.593 171 L N 5.669 126.938 121.223 0.078 0.000 2.255 171 L HA 0.532 4.870 4.340 -0.004 0.000 0.289 171 L C -2.384 174.454 176.870 -0.054 0.000 1.046 171 L CA -2.321 52.484 54.840 -0.058 0.000 0.816 171 L CB 0.167 42.241 42.059 0.025 0.000 1.197 171 L HN 0.571 nan 8.230 nan 0.000 0.427 172 P HA 0.449 nan 4.420 nan 0.000 0.280 172 P C -2.930 174.446 177.300 0.127 0.000 1.272 172 P CA -1.826 61.258 63.100 -0.027 0.000 0.819 172 P CB 0.347 31.973 31.700 -0.122 0.000 1.122 173 P HA 0.129 nan 4.420 nan 0.000 0.274 173 P C 1.055 178.158 177.300 -0.328 0.000 1.237 173 P CA -0.263 62.697 63.100 -0.233 0.000 0.793 173 P CB 0.811 32.156 31.700 -0.593 0.000 0.977 174 M N 2.544 121.825 119.600 -0.533 0.000 2.202 174 M HA -0.100 4.378 4.480 -0.004 0.000 0.262 174 M C 1.655 177.866 176.300 -0.149 0.000 1.063 174 M CA 1.814 56.639 55.300 -0.791 0.000 1.097 174 M CB -0.469 31.520 32.600 -1.019 0.000 1.382 174 M HN 0.474 nan 8.290 nan 0.000 0.413 175 W N -0.232 121.041 121.300 -0.044 0.000 2.525 175 W HA 0.058 4.716 4.660 -0.004 0.000 0.259 175 W C 1.483 177.998 176.519 -0.007 0.000 1.253 175 W CA 0.653 58.004 57.345 0.010 0.000 1.262 175 W CB -1.161 28.288 29.460 -0.019 0.000 1.122 175 W HN 0.335 nan 8.180 nan 0.000 0.607 176 A N 0.573 123.153 122.820 -0.399 0.000 2.121 176 A HA -0.020 4.298 4.320 -0.004 0.000 0.218 176 A C 1.230 178.644 177.584 -0.283 0.000 1.154 176 A CA 0.736 52.438 52.037 -0.559 0.000 0.679 176 A CB -1.116 17.437 19.000 -0.745 0.000 0.795 176 A HN 0.274 nan 8.150 nan 0.000 0.458 177 F N -0.375 119.603 119.950 0.048 0.000 2.664 177 F HA 0.318 4.843 4.527 -0.004 0.000 0.303 177 F C 1.601 177.446 175.800 0.075 0.000 1.092 177 F CA -0.336 57.751 58.000 0.145 0.000 1.305 177 F CB -0.194 38.871 39.000 0.107 0.000 1.054 177 F HN 0.181 nan 8.300 nan 0.000 0.565 178 G N -1.040 107.907 108.800 0.244 0.000 2.563 178 G HA2 0.067 4.025 3.960 -0.004 0.000 0.283 178 G HA3 0.067 4.025 3.960 -0.004 0.000 0.283 178 G C -1.388 173.670 174.900 0.262 0.000 1.309 178 G CA -0.344 44.886 45.100 0.217 0.000 1.022 178 G HN 0.098 nan 8.290 nan 0.000 0.501 179 Y N 1.260 121.689 120.300 0.214 0.000 2.480 179 Y HA 0.429 4.977 4.550 -0.003 0.000 0.341 179 Y C 0.020 176.056 175.900 0.227 0.000 1.031 179 Y CA -1.180 57.099 58.100 0.299 0.000 1.295 179 Y CB 0.319 39.032 38.460 0.422 0.000 1.162 179 Y HN 0.078 nan 8.280 nan 0.000 0.523 180 M N 8.940 128.505 119.600 -0.059 0.000 2.336 180 M HA 0.405 4.883 4.480 -0.004 0.000 0.342 180 M C -0.502 175.571 176.300 -0.378 0.000 1.128 180 M CA -0.762 54.441 55.300 -0.163 0.000 1.016 180 M CB 1.301 33.869 32.600 -0.053 0.000 1.665 180 M HN 0.668 nan 8.290 nan 0.000 0.445 181 I N -0.402 120.036 120.570 -0.219 0.000 2.493 181 I HA 0.883 5.051 4.170 -0.004 0.000 0.298 181 I C -0.256 175.979 176.117 0.196 0.000 0.998 181 I CA -0.389 60.852 61.300 -0.098 0.000 1.137 181 I CB 2.089 40.039 38.000 -0.083 0.000 1.310 181 I HN 0.696 nan 8.210 nan 0.000 0.445 182 S N 4.441 120.289 115.700 0.246 0.000 2.615 182 S HA 0.745 5.213 4.470 -0.004 0.000 0.269 182 S C -1.127 173.543 174.600 0.116 0.000 1.161 182 S CA -0.758 57.615 58.200 0.289 0.000 0.817 182 S CB 2.136 65.283 63.200 -0.088 0.000 1.131 182 S HN 1.000 nan 8.310 nan 0.000 0.467 183 R N 0.584 121.088 120.500 0.007 0.000 2.728 183 R HA 0.346 4.684 4.340 -0.004 0.000 0.274 183 R C -2.415 173.997 176.300 0.187 0.000 1.032 183 R CA -0.587 55.382 56.100 -0.218 0.000 0.866 183 R CB 0.877 30.587 30.300 -0.983 0.000 1.263 183 R HN 0.698 nan 8.270 nan 0.000 0.475 184 Y N 1.821 122.119 120.300 -0.003 0.000 2.919 184 Y HA 0.580 5.128 4.550 -0.004 0.000 0.341 184 Y C -1.632 174.313 175.900 0.075 0.000 1.045 184 Y CA -0.519 57.706 58.100 0.208 0.000 1.218 184 Y CB 0.430 39.071 38.460 0.301 0.000 1.137 184 Y HN 0.528 nan 8.280 nan 0.000 0.577 185 S N 2.539 118.258 115.700 0.030 0.000 2.685 185 S HA 0.535 5.003 4.470 -0.004 0.000 0.282 185 S C -1.912 172.862 174.600 0.290 0.000 1.159 185 S CA -0.632 57.735 58.200 0.279 0.000 0.833 185 S CB 1.287 64.781 63.200 0.490 0.000 1.151 185 S HN 0.233 nan 8.310 nan 0.000 0.485 186 Y N 1.922 122.521 120.300 0.500 0.000 2.326 186 Y HA 0.643 5.191 4.550 -0.004 0.000 0.337 186 Y C -0.197 176.072 175.900 0.614 0.000 1.023 186 Y CA -0.592 57.745 58.100 0.394 0.000 1.143 186 Y CB 0.518 39.173 38.460 0.326 0.000 1.183 186 Y HN 0.700 nan 8.280 nan 0.000 0.485 187 Y N 2.272 122.759 120.300 0.312 0.000 2.841 187 Y HA 0.557 5.105 4.550 -0.004 0.000 0.373 187 Y C -3.330 172.569 175.900 -0.003 0.000 1.170 187 Y CA -2.715 55.474 58.100 0.149 0.000 1.196 187 Y CB 0.031 38.648 38.460 0.262 0.000 1.433 187 Y HN 0.327 nan 8.280 nan 0.000 0.479 188 P HA 0.097 nan 4.420 nan 0.000 0.286 188 P C 0.313 177.388 177.300 -0.374 0.000 1.293 188 P CA 0.189 63.156 63.100 -0.222 0.000 0.770 188 P CB 0.954 32.557 31.700 -0.161 0.000 1.206 189 Q N -0.367 118.997 119.800 -0.727 0.000 2.197 189 Q HA -0.228 4.110 4.340 -0.004 0.000 0.207 189 Q C 0.951 176.866 176.000 -0.141 0.000 0.984 189 Q CA 1.908 57.483 55.803 -0.381 0.000 0.869 189 Q CB -0.697 27.858 28.738 -0.305 0.000 0.906 189 Q HN 0.302 nan 8.270 nan 0.000 0.426 190 D N 0.863 121.180 120.400 -0.138 0.000 2.178 190 D HA -0.092 4.546 4.640 -0.004 0.000 0.202 190 D C 1.757 178.016 176.300 -0.068 0.000 0.974 190 D CA 0.913 54.862 54.000 -0.085 0.000 0.841 190 D CB -0.011 40.744 40.800 -0.075 0.000 0.953 190 D HN 0.221 nan 8.370 nan 0.000 0.478 191 K N 0.653 121.009 120.400 -0.073 0.000 2.148 191 K HA -0.027 4.290 4.320 -0.004 0.000 0.204 191 K C 2.213 178.780 176.600 -0.056 0.000 1.050 191 K CA 0.197 56.450 56.287 -0.057 0.000 0.942 191 K CB -0.401 32.059 32.500 -0.067 0.000 0.724 191 K HN 0.094 nan 8.250 nan 0.000 0.446 192 V N 1.126 121.027 119.914 -0.021 0.000 2.295 192 V HA -0.211 3.907 4.120 -0.004 0.000 0.246 192 V C 2.469 178.523 176.094 -0.066 0.000 1.049 192 V CA 1.495 63.781 62.300 -0.023 0.000 1.024 192 V CB -0.439 31.461 31.823 0.127 0.000 0.648 192 V HN -0.030 nan 8.190 nan 0.000 0.447 193 V N -0.275 119.612 119.914 -0.045 0.000 2.427 193 V HA -0.225 3.893 4.120 -0.004 0.000 0.248 193 V C 2.363 178.422 176.094 -0.058 0.000 1.051 193 V CA 1.834 64.103 62.300 -0.051 0.000 1.048 193 V CB -0.705 31.090 31.823 -0.047 0.000 0.666 193 V HN 0.599 nan 8.190 nan 0.000 0.456 194 E N 0.043 120.210 120.200 -0.056 0.000 2.058 194 E HA -0.261 4.087 4.350 -0.004 0.000 0.194 194 E C 2.141 178.705 176.600 -0.062 0.000 0.997 194 E CA 1.492 57.863 56.400 -0.048 0.000 0.801 194 E CB -0.256 29.423 29.700 -0.035 0.000 0.746 194 E HN 0.413 nan 8.360 nan 0.000 0.450 195 L N 0.640 121.809 121.223 -0.091 0.000 2.046 195 L HA -0.147 4.190 4.340 -0.004 0.000 0.208 195 L C 2.219 179.009 176.870 -0.134 0.000 1.077 195 L CA 1.364 56.126 54.840 -0.131 0.000 0.747 195 L CB -0.344 41.574 42.059 -0.236 0.000 0.896 195 L HN -0.045 nan 8.230 nan 0.000 0.432 196 V N -0.091 119.750 119.914 -0.121 0.000 2.343 196 V HA -0.294 3.824 4.120 -0.004 0.000 0.247 196 V C 2.312 178.377 176.094 -0.048 0.000 1.051 196 V CA 1.951 64.202 62.300 -0.081 0.000 1.036 196 V CB -0.782 31.002 31.823 -0.065 0.000 0.654 196 V HN 0.470 nan 8.190 nan 0.000 0.451 197 D N 0.020 120.391 120.400 -0.048 0.000 2.097 197 D HA -0.116 4.522 4.640 -0.004 0.000 0.195 197 D C 2.088 178.372 176.300 -0.027 0.000 0.989 197 D CA 1.416 55.396 54.000 -0.032 0.000 0.827 197 D CB -0.155 40.626 40.800 -0.033 0.000 0.966 197 D HN 0.403 nan 8.370 nan 0.000 0.456 198 I N 0.504 121.045 120.570 -0.048 0.000 2.226 198 I HA -0.252 3.916 4.170 -0.004 0.000 0.245 198 I C 2.479 178.581 176.117 -0.025 0.000 1.100 198 I CA 0.670 61.937 61.300 -0.055 0.000 1.374 198 I CB -0.210 37.721 38.000 -0.114 0.000 1.057 198 I HN -0.001 nan 8.210 nan 0.000 0.413 199 M N 0.229 119.810 119.600 -0.032 0.000 2.065 199 M HA -0.250 4.228 4.480 -0.004 0.000 0.259 199 M C 2.367 178.776 176.300 0.181 0.000 1.069 199 M CA 1.992 57.333 55.300 0.068 0.000 1.110 199 M CB -1.146 31.468 32.600 0.023 0.000 1.328 199 M HN 0.334 nan 8.290 nan 0.000 0.405 200 Q N -0.399 119.455 119.800 0.090 0.000 2.079 200 Q HA -0.188 4.150 4.340 -0.004 0.000 0.200 200 Q C 2.107 178.132 176.000 0.041 0.000 0.974 200 Q CA 1.338 57.182 55.803 0.069 0.000 0.840 200 Q CB -0.284 28.470 28.738 0.025 0.000 0.898 200 Q HN 0.484 nan 8.270 nan 0.000 0.430 201 K N 1.326 121.742 120.400 0.027 0.000 2.103 201 K HA -0.176 4.142 4.320 -0.004 0.000 0.207 201 K C 1.181 177.790 176.600 0.016 0.000 1.048 201 K CA 1.235 57.528 56.287 0.010 0.000 0.930 201 K CB 0.136 32.636 32.500 0.001 0.000 0.716 201 K HN 0.167 nan 8.250 nan 0.000 0.444 202 E N -0.967 119.269 120.200 0.061 0.000 2.445 202 E HA 0.035 4.383 4.350 -0.004 0.000 0.189 202 E C 0.405 176.977 176.600 -0.046 0.000 1.069 202 E CA 0.347 56.786 56.400 0.065 0.000 0.871 202 E CB 0.426 30.229 29.700 0.171 0.000 0.991 202 E HN 0.633 nan 8.360 nan 0.000 0.481 203 G N 1.089 109.848 108.800 -0.068 0.000 2.157 203 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.239 203 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.239 203 G C -0.105 174.610 174.900 -0.308 0.000 0.982 203 G CA -0.424 44.549 45.100 -0.212 0.000 0.650 203 G HN 0.195 nan 8.290 nan 0.000 0.527 204 F N 1.091 121.061 119.950 0.033 0.000 2.411 204 F HA 0.533 5.057 4.527 -0.004 0.000 0.355 204 F C 1.077 176.951 175.800 0.123 0.000 1.117 204 F CA -0.742 57.324 58.000 0.109 0.000 1.139 204 F CB 1.150 40.263 39.000 0.188 0.000 1.120 204 F HN 0.034 nan 8.300 nan 0.000 0.493 205 R N 3.640 124.291 120.500 0.252 0.000 2.272 205 R HA 0.415 4.753 4.340 -0.004 0.000 0.334 205 R C -1.404 175.102 176.300 0.343 0.000 1.117 205 R CA -0.238 55.929 56.100 0.112 0.000 0.966 205 R CB 0.253 30.378 30.300 -0.292 0.000 1.049 205 R HN 0.523 nan 8.270 nan 0.000 0.477 206 V N 5.124 125.181 119.914 0.239 0.000 2.383 206 V HA 0.211 4.329 4.120 -0.004 0.000 0.275 206 V C 1.018 177.193 176.094 0.136 0.000 1.036 206 V CA 0.010 62.423 62.300 0.188 0.000 0.889 206 V CB 1.164 33.023 31.823 0.061 0.000 0.985 206 V HN 0.982 nan 8.190 nan 0.000 0.459 207 A N 4.057 126.992 122.820 0.192 0.000 1.935 207 A HA 0.579 4.897 4.320 -0.004 0.000 0.214 207 A C 1.100 178.697 177.584 0.023 0.000 1.178 207 A CA 1.081 53.213 52.037 0.158 0.000 0.640 207 A CB -0.062 19.116 19.000 0.296 0.000 0.825 207 A HN 1.119 nan 8.150 nan 0.000 0.447 208 G N -1.921 106.897 108.800 0.029 0.000 2.601 208 G HA2 0.532 4.490 3.960 -0.004 0.000 0.291 208 G HA3 0.532 4.490 3.960 -0.004 0.000 0.291 208 G C -1.218 173.719 174.900 0.060 0.000 1.456 208 G CA 0.140 45.223 45.100 -0.027 0.000 0.804 208 G HN 1.165 nan 8.290 nan 0.000 0.499 209 V N -1.990 117.960 119.914 0.059 0.000 2.735 209 V HA 0.886 5.004 4.120 -0.004 0.000 0.310 209 V C -1.192 175.049 176.094 0.245 0.000 1.061 209 V CA -1.296 61.129 62.300 0.210 0.000 0.913 209 V CB 1.528 33.439 31.823 0.148 0.000 1.005 209 V HN 0.521 nan 8.190 nan 0.000 0.428 210 F N 4.054 124.111 119.950 0.179 0.000 2.421 210 F HA 0.736 5.261 4.527 -0.003 0.000 0.337 210 F C -0.117 175.926 175.800 0.404 0.000 1.105 210 F CA -1.058 57.084 58.000 0.237 0.000 1.049 210 F CB 1.756 40.777 39.000 0.035 0.000 1.139 210 F HN 0.350 nan 8.300 nan 0.000 0.479 211 L N 4.061 125.610 121.223 0.542 0.000 2.276 211 L HA 0.321 4.659 4.340 -0.004 0.000 0.286 211 L C 0.067 177.346 176.870 0.682 0.000 1.024 211 L CA -0.281 54.883 54.840 0.540 0.000 0.826 211 L CB 0.446 42.638 42.059 0.222 0.000 1.211 211 L HN 0.517 nan 8.230 nan 0.000 0.422 212 D N 2.044 122.846 120.400 0.669 0.000 2.433 212 D HA 0.128 4.766 4.640 -0.004 0.000 0.255 212 D C 1.704 178.206 176.300 0.337 0.000 1.226 212 D CA -0.286 54.010 54.000 0.492 0.000 1.015 212 D CB 1.034 42.191 40.800 0.594 0.000 1.091 212 D HN 0.548 nan 8.370 nan 0.000 0.527 213 I N -0.703 119.919 120.570 0.087 0.000 2.597 213 I HA -0.294 3.874 4.170 -0.004 0.000 0.262 213 I C 1.167 177.213 176.117 -0.118 0.000 1.194 213 I CA 1.356 62.595 61.300 -0.102 0.000 1.437 213 I CB -0.545 37.405 38.000 -0.084 0.000 1.096 213 I HN 0.264 nan 8.210 nan 0.000 0.451 214 H N 0.549 119.621 119.070 0.004 0.000 2.521 214 H HA -0.120 4.434 4.556 -0.004 0.000 0.286 214 H C 1.794 177.062 175.328 -0.100 0.000 1.034 214 H CA 1.896 57.831 56.048 -0.188 0.000 1.278 214 H CB -0.386 29.053 29.762 -0.539 0.000 1.386 214 H HN 0.792 nan 8.280 nan 0.000 0.567 215 Y N -0.871 119.473 120.300 0.074 0.000 2.457 215 Y HA 0.121 4.668 4.550 -0.004 0.000 0.292 215 Y C 0.596 176.484 175.900 -0.020 0.000 1.125 215 Y CA -0.301 57.734 58.100 -0.109 0.000 1.254 215 Y CB -0.398 37.719 38.460 -0.572 0.000 1.012 215 Y HN -0.036 nan 8.280 nan 0.000 0.555 216 M N 1.307 120.566 119.600 -0.569 0.000 2.202 216 M HA 0.076 4.554 4.480 -0.004 0.000 0.316 216 M C -0.508 175.705 176.300 -0.144 0.000 1.138 216 M CA -0.248 54.790 55.300 -0.437 0.000 1.151 216 M CB 0.325 32.550 32.600 -0.625 0.000 1.422 216 M HN 0.073 nan 8.290 nan 0.000 0.471 217 D N 0.385 120.706 120.400 -0.131 0.000 2.380 217 D HA 0.198 4.835 4.640 -0.004 0.000 0.230 217 D C -0.422 175.727 176.300 -0.252 0.000 1.154 217 D CA 0.210 54.111 54.000 -0.164 0.000 0.859 217 D CB 0.281 41.025 40.800 -0.093 0.000 1.045 217 D HN 0.612 nan 8.370 nan 0.000 0.495 218 S N 3.019 118.513 115.700 -0.343 0.000 3.641 218 S HA -0.276 4.192 4.470 -0.004 0.000 0.346 218 S C 0.086 174.488 174.600 -0.331 0.000 1.074 218 S CA 0.700 58.674 58.200 -0.376 0.000 1.026 218 S CB -1.884 61.201 63.200 -0.191 0.000 0.908 218 S HN 0.640 nan 8.310 nan 0.000 0.479 219 Y N -2.362 117.836 120.300 -0.169 0.000 4.668 219 Y HA -0.251 4.297 4.550 -0.004 0.000 0.234 219 Y C 0.660 176.415 175.900 -0.243 0.000 1.056 219 Y CA 0.996 58.977 58.100 -0.198 0.000 2.025 219 Y CB -1.980 36.428 38.460 -0.087 0.000 1.613 219 Y HN 0.475 nan 8.280 nan 0.000 0.653 220 K N 1.462 121.726 120.400 -0.227 0.000 2.312 220 K HA 0.379 4.697 4.320 -0.004 0.000 0.287 220 K C 0.468 176.928 176.600 -0.234 0.000 1.062 220 K CA -0.503 55.591 56.287 -0.322 0.000 0.934 220 K CB 0.579 32.794 32.500 -0.475 0.000 1.027 220 K HN 0.141 nan 8.250 nan 0.000 0.478 221 L N 4.008 125.113 121.223 -0.196 0.000 2.529 221 L HA -0.056 4.282 4.340 -0.004 0.000 0.287 221 L C 0.116 176.695 176.870 -0.487 0.000 1.241 221 L CA 0.177 54.693 54.840 -0.539 0.000 0.857 221 L CB -0.389 41.264 42.059 -0.675 0.000 1.113 221 L HN 0.701 nan 8.230 nan 0.000 0.504 222 F N -0.103 119.471 119.950 -0.627 0.000 3.074 222 F HA -0.217 4.308 4.527 -0.003 0.000 0.287 222 F C 0.620 176.284 175.800 -0.226 0.000 0.932 222 F CA 0.875 58.392 58.000 -0.805 0.000 0.995 222 F CB -2.654 36.086 39.000 -0.432 0.000 0.966 222 F HN 0.716 nan 8.300 nan 0.000 0.721 223 T N -4.403 110.081 114.554 -0.116 0.000 2.864 223 T HA 0.724 5.072 4.350 -0.004 0.000 0.299 223 T C -0.874 173.866 174.700 0.067 0.000 1.166 223 T CA -1.000 61.171 62.100 0.118 0.000 1.007 223 T CB 2.044 70.977 68.868 0.109 0.000 1.219 223 T HN 0.189 nan 8.240 nan 0.000 0.506 224 W N 0.993 122.482 121.300 0.316 0.000 2.632 224 W HA 0.443 5.101 4.660 -0.004 0.000 0.328 224 W C 0.406 177.078 176.519 0.255 0.000 1.044 224 W CA -0.827 56.722 57.345 0.340 0.000 1.225 224 W CB 1.077 30.725 29.460 0.313 0.000 1.396 224 W HN 0.767 nan 8.180 nan 0.000 0.499 225 H N 6.077 125.439 119.070 0.487 0.000 3.046 225 H HA -0.009 4.545 4.556 -0.003 0.000 0.303 225 H C -1.246 174.246 175.328 0.273 0.000 1.002 225 H CA -0.595 55.644 56.048 0.318 0.000 1.460 225 H CB 1.211 31.197 29.762 0.373 0.000 1.493 225 H HN 0.197 nan 8.280 nan 0.000 0.559 226 P HA -0.179 nan 4.420 nan 0.000 0.221 226 P C 0.396 177.529 177.300 -0.278 0.000 1.145 226 P CA 1.409 64.376 63.100 -0.223 0.000 0.795 226 P CB 0.122 31.514 31.700 -0.514 0.000 0.775 227 Y N -0.389 120.166 120.300 0.425 0.000 2.500 227 Y HA 0.227 4.775 4.550 -0.004 0.000 0.284 227 Y C 2.764 178.813 175.900 0.248 0.000 1.118 227 Y CA 0.331 58.627 58.100 0.327 0.000 1.241 227 Y CB -0.471 38.185 38.460 0.328 0.000 1.171 227 Y HN -0.206 nan 8.280 nan 0.000 0.540 228 R N -0.941 119.823 120.500 0.440 0.000 2.127 228 R HA 0.092 4.429 4.340 -0.004 0.000 0.217 228 R C -0.268 175.907 176.300 -0.208 0.000 1.074 228 R CA 0.932 57.065 56.100 0.056 0.000 0.991 228 R CB 0.024 30.330 30.300 0.011 0.000 0.895 228 R HN 0.128 nan 8.270 nan 0.000 0.450 229 F N 0.872 121.001 119.950 0.297 0.000 2.577 229 F HA 0.295 4.820 4.527 -0.004 0.000 0.342 229 F C -1.709 174.133 175.800 0.069 0.000 1.479 229 F CA -2.111 56.007 58.000 0.197 0.000 1.110 229 F CB 1.516 40.762 39.000 0.409 0.000 1.306 229 F HN -0.124 nan 8.300 nan 0.000 0.554 230 P HA -0.145 nan 4.420 nan 0.000 0.222 230 P C -0.118 177.160 177.300 -0.038 0.000 1.147 230 P CA 1.350 64.470 63.100 0.033 0.000 0.790 230 P CB 0.406 32.115 31.700 0.014 0.000 0.780 231 E N 0.223 120.373 120.200 -0.083 0.000 3.568 231 E HA 0.158 4.505 4.350 -0.004 0.000 0.213 231 E C -1.828 174.619 176.600 -0.255 0.000 1.197 231 E CA -1.808 54.505 56.400 -0.145 0.000 1.126 231 E CB 0.915 30.552 29.700 -0.105 0.000 1.285 231 E HN 0.238 nan 8.360 nan 0.000 0.418 232 P HA -0.263 nan 4.420 nan 0.000 0.217 232 P C 1.298 178.302 177.300 -0.493 0.000 1.148 232 P CA 1.197 63.821 63.100 -0.794 0.000 0.828 232 P CB 0.438 31.216 31.700 -1.536 0.000 0.783 233 K N 0.575 120.774 120.400 -0.335 0.000 2.057 233 K HA -0.155 4.163 4.320 -0.004 0.000 0.206 233 K C 2.401 178.879 176.600 -0.203 0.000 1.050 233 K CA 1.348 57.492 56.287 -0.238 0.000 0.935 233 K CB -0.208 32.192 32.500 -0.167 0.000 0.715 233 K HN -0.079 nan 8.250 nan 0.000 0.439 234 K N 0.701 120.995 120.400 -0.176 0.000 2.026 234 K HA -0.186 4.132 4.320 -0.004 0.000 0.208 234 K C 2.209 178.720 176.600 -0.148 0.000 1.048 234 K CA 1.386 57.590 56.287 -0.137 0.000 0.929 234 K CB -0.206 32.227 32.500 -0.112 0.000 0.713 234 K HN 0.112 nan 8.250 nan 0.000 0.439 235 L N 1.592 122.714 121.223 -0.169 0.000 2.012 235 L HA -0.166 4.172 4.340 -0.004 0.000 0.210 235 L C 2.003 178.757 176.870 -0.192 0.000 1.073 235 L CA 1.678 56.434 54.840 -0.141 0.000 0.748 235 L CB -0.339 41.660 42.059 -0.099 0.000 0.891 235 L HN 0.273 nan 8.230 nan 0.000 0.431 236 I N -0.236 120.168 120.570 -0.275 0.000 2.226 236 I HA -0.282 3.886 4.170 -0.004 0.000 0.245 236 I C 2.007 177.855 176.117 -0.449 0.000 1.100 236 I CA 1.461 62.515 61.300 -0.409 0.000 1.374 236 I CB -0.610 37.142 38.000 -0.412 0.000 1.057 236 I HN 0.338 nan 8.210 nan 0.000 0.413 237 D N 0.696 120.941 120.400 -0.260 0.000 2.144 237 D HA -0.154 4.484 4.640 -0.004 0.000 0.200 237 D C 2.047 178.283 176.300 -0.107 0.000 0.978 237 D CA 1.099 55.007 54.000 -0.154 0.000 0.833 237 D CB -0.195 40.546 40.800 -0.098 0.000 0.961 237 D HN 0.462 nan 8.370 nan 0.000 0.470 238 E N 0.421 120.552 120.200 -0.115 0.000 2.072 238 E HA -0.090 4.258 4.350 -0.004 0.000 0.191 238 E C 2.376 178.936 176.600 -0.067 0.000 0.985 238 E CA 0.437 56.790 56.400 -0.078 0.000 0.801 238 E CB -0.020 29.634 29.700 -0.075 0.000 0.750 238 E HN 0.263 nan 8.360 nan 0.000 0.452 239 L N 0.058 121.220 121.223 -0.101 0.000 2.056 239 L HA -0.159 4.179 4.340 -0.004 0.000 0.207 239 L C 2.344 179.221 176.870 0.011 0.000 1.078 239 L CA 1.283 56.082 54.840 -0.067 0.000 0.749 239 L CB -0.502 41.495 42.059 -0.103 0.000 0.901 239 L HN 0.240 nan 8.230 nan 0.000 0.433 240 H N -0.486 118.523 119.070 -0.101 0.000 2.421 240 H HA -0.188 4.366 4.556 -0.004 0.000 0.298 240 H C 2.180 177.454 175.328 -0.089 0.000 1.087 240 H CA 0.924 56.905 56.048 -0.111 0.000 1.330 240 H CB 0.224 29.922 29.762 -0.108 0.000 1.388 240 H HN 0.211 nan 8.280 nan 0.000 0.526 241 K N 1.322 121.752 120.400 0.050 0.000 2.209 241 K HA -0.093 4.225 4.320 -0.004 0.000 0.204 241 K C 1.355 177.949 176.600 -0.011 0.000 1.048 241 K CA 0.981 57.271 56.287 0.004 0.000 0.940 241 K CB 0.201 32.692 32.500 -0.014 0.000 0.729 241 K HN 0.224 nan 8.250 nan 0.000 0.451 242 R N 0.460 120.952 120.500 -0.013 0.000 2.466 242 R HA 0.167 4.505 4.340 -0.004 0.000 0.279 242 R C -0.357 175.925 176.300 -0.030 0.000 0.976 242 R CA -0.056 56.030 56.100 -0.023 0.000 1.081 242 R CB 0.203 30.488 30.300 -0.024 0.000 1.215 242 R HN 0.214 nan 8.270 nan 0.000 0.546 243 N N 0.350 119.028 118.700 -0.037 0.000 2.740 243 N HA -0.150 4.588 4.740 -0.004 0.000 0.248 243 N C -1.116 174.339 175.510 -0.091 0.000 1.062 243 N CA 0.818 53.823 53.050 -0.075 0.000 0.704 243 N CB -0.959 37.488 38.487 -0.067 0.000 0.968 243 N HN 0.001 nan 8.380 nan 0.000 0.547 244 V N 0.753 120.627 119.914 -0.066 0.000 2.448 244 V HA 0.266 4.384 4.120 -0.004 0.000 0.295 244 V C 0.573 176.604 176.094 -0.105 0.000 1.025 244 V CA -0.871 61.380 62.300 -0.082 0.000 0.859 244 V CB 2.276 34.074 31.823 -0.043 0.000 0.988 244 V HN -0.026 nan 8.190 nan 0.000 0.431 245 K N 3.254 123.498 120.400 -0.260 0.000 2.168 245 K HA 0.495 4.812 4.320 -0.004 0.000 0.258 245 K C -0.645 175.843 176.600 -0.187 0.000 1.010 245 K CA -0.555 55.516 56.287 -0.360 0.000 0.929 245 K CB 1.544 33.525 32.500 -0.864 0.000 0.998 245 K HN 0.452 nan 8.250 nan 0.000 0.479 246 L N 2.534 123.680 121.223 -0.129 0.000 2.349 246 L HA 0.416 4.754 4.340 -0.004 0.000 0.278 246 L C -1.331 175.486 176.870 -0.089 0.000 0.996 246 L CA -0.487 54.301 54.840 -0.087 0.000 0.825 246 L CB 0.996 43.019 42.059 -0.060 0.000 1.243 246 L HN 0.413 nan 8.230 nan 0.000 0.412 247 I N 3.880 124.336 120.570 -0.190 0.000 2.378 247 I HA 0.566 4.734 4.170 -0.004 0.000 0.291 247 I C 0.106 176.230 176.117 0.011 0.000 0.992 247 I CA -0.091 61.096 61.300 -0.188 0.000 1.154 247 I CB 2.156 39.661 38.000 -0.825 0.000 1.315 247 I HN 0.717 nan 8.210 nan 0.000 0.448 248 T N 4.197 118.870 114.554 0.199 0.000 2.823 248 T HA 0.651 4.999 4.350 -0.004 0.000 0.279 248 T C -0.131 174.817 174.700 0.414 0.000 0.998 248 T CA -0.675 61.584 62.100 0.264 0.000 0.994 248 T CB 1.357 70.330 68.868 0.176 0.000 0.960 248 T HN 0.461 nan 8.240 nan 0.000 0.448 249 I N 2.777 123.618 120.570 0.453 0.000 2.638 249 I HA 0.488 4.656 4.170 -0.004 0.000 0.286 249 I C -1.021 175.119 176.117 0.038 0.000 1.088 249 I CA -0.447 60.927 61.300 0.124 0.000 1.397 249 I CB 0.663 38.447 38.000 -0.360 0.000 1.414 249 I HN 0.505 nan 8.210 nan 0.000 0.566 250 V N 7.121 127.014 119.914 -0.036 0.000 2.532 250 V HA 0.301 4.419 4.120 -0.004 0.000 0.294 250 V C -0.463 175.662 176.094 0.052 0.000 1.036 250 V CA -0.868 61.389 62.300 -0.070 0.000 0.876 250 V CB 1.448 33.268 31.823 -0.005 0.000 1.012 250 V HN 0.708 nan 8.190 nan 0.000 0.432 251 D N 2.458 122.892 120.400 0.057 0.000 2.440 251 D HA 0.245 4.883 4.640 -0.004 0.000 0.269 251 D C 0.702 177.243 176.300 0.401 0.000 1.249 251 D CA -0.205 53.927 54.000 0.220 0.000 1.055 251 D CB 0.756 41.683 40.800 0.213 0.000 1.104 251 D HN 0.808 nan 8.370 nan 0.000 0.561 252 H N -1.803 117.416 119.070 0.249 0.000 2.652 252 H HA 0.281 4.835 4.556 -0.004 0.000 0.274 252 H C 0.382 175.945 175.328 0.391 0.000 1.021 252 H CA -0.420 55.861 56.048 0.388 0.000 1.187 252 H CB -0.218 29.838 29.762 0.489 0.000 1.505 252 H HN 0.215 nan 8.280 nan 0.000 0.530 253 G N 2.204 110.948 108.800 -0.094 0.000 2.325 253 G HA2 0.464 4.422 3.960 -0.004 0.000 0.298 253 G HA3 0.464 4.422 3.960 -0.004 0.000 0.298 253 G C -0.453 174.354 174.900 -0.154 0.000 1.134 253 G CA -0.500 44.382 45.100 -0.365 0.000 0.876 253 G HN 0.188 nan 8.290 nan 0.000 0.452 254 I N 2.231 122.683 120.570 -0.196 0.000 2.312 254 I HA 0.274 4.442 4.170 -0.004 0.000 0.290 254 I C 0.801 176.816 176.117 -0.170 0.000 1.008 254 I CA -0.828 60.501 61.300 0.048 0.000 1.226 254 I CB 1.343 39.473 38.000 0.217 0.000 1.371 254 I HN 0.533 nan 8.210 nan 0.000 0.468 255 R N 5.115 125.530 120.500 -0.143 0.000 2.522 255 R HA 0.174 4.512 4.340 -0.004 0.000 0.284 255 R C -0.588 175.420 176.300 -0.487 0.000 1.032 255 R CA -0.204 55.690 56.100 -0.344 0.000 1.049 255 R CB 0.623 30.642 30.300 -0.467 0.000 0.956 255 R HN 0.430 nan 8.270 nan 0.000 0.422 256 V N 5.849 125.360 119.914 -0.672 0.000 2.242 256 V HA 0.025 4.143 4.120 -0.004 0.000 0.242 256 V C 0.010 175.637 176.094 -0.778 0.000 1.240 256 V CA 0.444 62.066 62.300 -1.131 0.000 1.211 256 V CB -0.092 31.300 31.823 -0.718 0.000 1.338 256 V HN 0.687 nan 8.190 nan 0.000 0.499 257 D N 2.764 122.746 120.400 -0.696 0.000 2.593 257 D HA 0.224 4.862 4.640 -0.004 0.000 0.251 257 D C 0.841 177.186 176.300 0.075 0.000 1.140 257 D CA -0.496 53.383 54.000 -0.202 0.000 0.855 257 D CB 2.131 42.880 40.800 -0.085 0.000 1.267 257 D HN 0.382 nan 8.370 nan 0.000 0.532 258 Q N 2.057 121.919 119.800 0.103 0.000 2.234 258 Q HA -0.130 4.208 4.340 -0.004 0.000 0.206 258 Q C 0.382 176.508 176.000 0.210 0.000 0.980 258 Q CA 1.434 57.361 55.803 0.206 0.000 0.869 258 Q CB 0.135 28.944 28.738 0.119 0.000 0.912 258 Q HN 0.461 nan 8.270 nan 0.000 0.436 259 N N -1.101 117.710 118.700 0.185 0.000 2.282 259 N HA 0.042 4.779 4.740 -0.004 0.000 0.240 259 N C -1.309 174.347 175.510 0.244 0.000 1.182 259 N CA -0.228 52.927 53.050 0.174 0.000 0.874 259 N CB 0.680 39.238 38.487 0.118 0.000 1.126 259 N HN 0.076 nan 8.380 nan 0.000 0.516 260 Y N 1.245 121.633 120.300 0.146 0.000 2.385 260 Y HA 0.302 4.850 4.550 -0.004 0.000 0.341 260 Y C 1.378 177.415 175.900 0.228 0.000 0.965 260 Y CA -0.998 57.196 58.100 0.156 0.000 1.180 260 Y CB 0.821 39.351 38.460 0.117 0.000 1.139 260 Y HN -0.087 nan 8.280 nan 0.000 0.502 261 S N 5.863 121.512 115.700 -0.084 0.000 2.368 261 S HA -0.163 4.304 4.470 -0.004 0.000 0.226 261 S C -0.755 173.772 174.600 -0.123 0.000 1.044 261 S CA 2.304 60.449 58.200 -0.091 0.000 1.062 261 S CB -0.725 62.443 63.200 -0.054 0.000 0.931 261 S HN 0.730 nan 8.310 nan 0.000 0.440 262 P HA -0.072 nan 4.420 nan 0.000 0.218 262 P C 1.205 178.724 177.300 0.365 0.000 1.148 262 P CA 0.884 64.014 63.100 0.050 0.000 0.822 262 P CB -0.145 31.508 31.700 -0.078 0.000 0.784 263 F N 0.232 120.217 119.950 0.058 0.000 2.113 263 F HA -0.129 4.396 4.527 -0.004 0.000 0.297 263 F C 1.872 177.823 175.800 0.251 0.000 1.103 263 F CA 1.441 59.604 58.000 0.271 0.000 1.248 263 F CB -1.002 38.136 39.000 0.230 0.000 0.999 263 F HN -0.248 nan 8.300 nan 0.000 0.475 264 L N -0.145 121.093 121.223 0.025 0.000 2.056 264 L HA -0.174 4.164 4.340 -0.004 0.000 0.207 264 L C 2.702 179.507 176.870 -0.109 0.000 1.078 264 L CA 1.509 56.278 54.840 -0.119 0.000 0.749 264 L CB -1.144 40.914 42.059 -0.002 0.000 0.901 264 L HN 0.309 nan 8.230 nan 0.000 0.433 265 S N -0.301 115.404 115.700 0.009 0.000 2.436 265 S HA -0.042 4.425 4.470 -0.004 0.000 0.228 265 S C 1.919 176.367 174.600 -0.253 0.000 1.014 265 S CA 0.711 58.924 58.200 0.023 0.000 0.950 265 S CB -0.483 62.864 63.200 0.246 0.000 0.784 265 S HN 0.392 nan 8.310 nan 0.000 0.504 266 G N 0.810 109.365 108.800 -0.408 0.000 2.712 266 G HA2 0.169 4.127 3.960 -0.004 0.000 0.212 266 G HA3 0.169 4.127 3.960 -0.004 0.000 0.212 266 G C 0.420 174.385 174.900 -1.558 0.000 1.142 266 G CA -0.176 43.995 45.100 -1.548 0.000 0.789 266 G HN 0.460 nan 8.290 nan 0.000 0.535 267 M N 1.346 120.476 119.600 -0.783 0.000 2.286 267 M HA 0.367 4.845 4.480 -0.004 0.000 0.365 267 M C 1.462 177.428 176.300 -0.555 0.000 1.443 267 M CA 0.839 55.813 55.300 -0.543 0.000 0.951 267 M CB 0.211 32.611 32.600 -0.334 0.000 1.961 267 M HN 0.477 nan 8.290 nan 0.000 0.468 268 G N 4.117 112.646 108.800 -0.451 0.000 2.232 268 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.226 268 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.226 268 G C 0.689 175.351 174.900 -0.398 0.000 0.996 268 G CA 0.318 45.215 45.100 -0.338 0.000 0.626 268 G HN 0.652 nan 8.290 nan 0.000 0.509 269 K N -0.063 119.918 120.400 -0.699 0.000 2.455 269 K HA 0.433 4.750 4.320 -0.004 0.000 0.206 269 K C -0.205 176.109 176.600 -0.476 0.000 1.027 269 K CA -0.415 55.520 56.287 -0.586 0.000 1.113 269 K CB 0.381 32.459 32.500 -0.703 0.000 0.850 269 K HN 0.251 nan 8.250 nan 0.000 0.503 270 F N 0.504 120.379 119.950 -0.126 0.000 2.380 270 F HA 0.213 4.738 4.527 -0.004 0.000 0.321 270 F C 0.991 176.859 175.800 0.113 0.000 1.103 270 F CA -1.797 56.197 58.000 -0.011 0.000 1.067 270 F CB 0.358 39.351 39.000 -0.012 0.000 1.265 270 F HN -0.106 nan 8.300 nan 0.000 0.517 271 C N 1.508 121.073 119.300 0.441 0.000 2.676 271 C HA 0.316 4.774 4.460 -0.004 0.000 0.416 271 C C 0.434 175.586 174.990 0.270 0.000 1.299 271 C CA -0.577 58.658 59.018 0.362 0.000 2.048 271 C CB -0.714 27.292 27.740 0.443 0.000 2.713 271 C HN 0.711 nan 8.230 nan 0.000 0.624 272 E N 0.952 121.248 120.200 0.159 0.000 2.370 272 E HA 0.731 5.079 4.350 -0.004 0.000 0.259 272 E C -0.736 175.868 176.600 0.008 0.000 0.947 272 E CA -0.673 55.800 56.400 0.120 0.000 0.809 272 E CB 1.458 31.238 29.700 0.134 0.000 1.300 272 E HN 0.684 nan 8.360 nan 0.000 0.419 273 I N -2.143 118.431 120.570 0.007 0.000 2.910 273 I HA 0.394 4.561 4.170 -0.004 0.000 0.310 273 I C 1.038 177.124 176.117 -0.052 0.000 1.043 273 I CA -0.882 60.379 61.300 -0.064 0.000 1.053 273 I CB 1.466 39.444 38.000 -0.036 0.000 1.242 273 I HN 0.329 nan 8.210 nan 0.000 0.452 274 E N 1.968 122.123 120.200 -0.075 0.000 2.113 274 E HA -0.255 4.093 4.350 -0.004 0.000 0.210 274 E C 2.024 178.605 176.600 -0.031 0.000 1.040 274 E CA 2.504 58.867 56.400 -0.061 0.000 0.847 274 E CB -0.285 29.379 29.700 -0.061 0.000 0.755 274 E HN 0.863 nan 8.360 nan 0.000 0.459 275 S N -1.397 114.291 115.700 -0.020 0.000 2.603 275 S HA 0.114 4.582 4.470 -0.004 0.000 0.229 275 S C 1.534 176.140 174.600 0.009 0.000 0.972 275 S CA 0.984 59.180 58.200 -0.006 0.000 0.935 275 S CB 0.283 63.481 63.200 -0.005 0.000 0.769 275 S HN 0.434 nan 8.310 nan 0.000 0.536 276 G N 0.283 109.095 108.800 0.019 0.000 2.254 276 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.225 276 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.225 276 G C -0.122 174.807 174.900 0.048 0.000 1.003 276 G CA -0.035 45.089 45.100 0.040 0.000 0.622 276 G HN 0.583 nan 8.290 nan 0.000 0.507 277 E N 0.484 120.710 120.200 0.042 0.000 2.376 277 E HA 0.672 5.020 4.350 -0.004 0.000 0.254 277 E C 1.019 177.665 176.600 0.076 0.000 1.213 277 E CA -0.566 55.864 56.400 0.050 0.000 0.945 277 E CB 0.682 30.405 29.700 0.039 0.000 1.057 277 E HN 0.360 nan 8.360 nan 0.000 0.479 278 L N 1.255 122.526 121.223 0.081 0.000 2.452 278 L HA 0.134 4.472 4.340 -0.004 0.000 0.267 278 L C 0.083 177.025 176.870 0.120 0.000 1.188 278 L CA -0.394 54.511 54.840 0.108 0.000 0.821 278 L CB 0.160 42.270 42.059 0.085 0.000 1.102 278 L HN 0.467 nan 8.230 nan 0.000 0.470 279 F N 3.270 123.201 119.950 -0.031 0.000 2.404 279 F HA 0.356 4.880 4.527 -0.004 0.000 0.359 279 F C -0.362 175.377 175.800 -0.101 0.000 1.134 279 F CA -0.789 57.153 58.000 -0.098 0.000 1.160 279 F CB 0.430 39.328 39.000 -0.171 0.000 1.186 279 F HN -0.047 nan 8.300 nan 0.000 0.526 280 V N 7.239 126.915 119.914 -0.397 0.000 2.370 280 V HA 0.736 4.854 4.120 -0.004 0.000 0.279 280 V C 0.534 176.219 176.094 -0.682 0.000 1.029 280 V CA -0.001 61.986 62.300 -0.521 0.000 0.870 280 V CB 0.552 32.218 31.823 -0.261 0.000 0.984 280 V HN 0.978 nan 8.190 nan 0.000 0.451 281 G N 4.346 112.689 108.800 -0.761 0.000 3.257 281 G HA2 0.663 4.620 3.960 -0.004 0.000 0.205 281 G HA3 0.663 4.620 3.960 -0.004 0.000 0.205 281 G C -1.094 173.642 174.900 -0.274 0.000 1.234 281 G CA -0.600 44.199 45.100 -0.502 0.000 0.918 281 G HN 0.424 nan 8.290 nan 0.000 0.602 282 K N 0.003 120.330 120.400 -0.121 0.000 2.482 282 K HA 0.652 4.970 4.320 -0.004 0.000 0.251 282 K C -0.975 175.644 176.600 0.031 0.000 0.936 282 K CA -0.578 55.679 56.287 -0.050 0.000 0.791 282 K CB 2.231 34.746 32.500 0.025 0.000 1.213 282 K HN 0.381 nan 8.250 nan 0.000 0.428 283 M N 0.378 119.964 119.600 -0.024 0.000 3.385 283 M HA 0.239 4.716 4.480 -0.004 0.000 0.286 283 M C 0.230 176.520 176.300 -0.016 0.000 1.381 283 M CA -0.615 54.641 55.300 -0.074 0.000 0.813 283 M CB 0.831 33.313 32.600 -0.196 0.000 1.731 283 M HN 0.688 nan 8.290 nan 0.000 0.460 284 W N 1.997 123.274 121.300 -0.039 0.000 2.290 284 W HA -0.184 4.474 4.660 -0.004 0.000 0.318 284 W C -0.623 175.752 176.519 -0.239 0.000 1.248 284 W CA 1.097 58.272 57.345 -0.284 0.000 1.263 284 W CB -1.539 27.694 29.460 -0.379 0.000 1.147 284 W HN 0.473 nan 8.180 nan 0.000 0.494 285 P HA 0.146 nan 4.420 nan 0.000 0.245 285 P C 0.804 178.090 177.300 -0.024 0.000 1.212 285 P CA 1.857 64.995 63.100 0.064 0.000 0.774 285 P CB 0.267 31.929 31.700 -0.063 0.000 0.999 286 G N -0.167 108.615 108.800 -0.029 0.000 2.513 286 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.227 286 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.227 286 G C -0.518 174.301 174.900 -0.135 0.000 1.176 286 G CA -0.309 44.755 45.100 -0.061 0.000 0.967 286 G HN 0.164 nan 8.290 nan 0.000 0.587 287 T N 2.030 116.483 114.554 -0.168 0.000 2.867 287 T HA 0.506 4.854 4.350 -0.004 0.000 0.297 287 T C 0.710 175.206 174.700 -0.340 0.000 0.989 287 T CA 1.395 63.354 62.100 -0.234 0.000 1.159 287 T CB 0.353 69.090 68.868 -0.219 0.000 0.928 287 T HN 1.583 nan 8.240 nan 0.000 0.538 288 T N -0.602 113.688 114.554 -0.439 0.000 2.864 288 T HA 0.747 5.095 4.350 -0.004 0.000 0.299 288 T C -0.405 173.811 174.700 -0.806 0.000 1.166 288 T CA -0.948 60.786 62.100 -0.610 0.000 1.007 288 T CB 1.324 69.783 68.868 -0.682 0.000 1.219 288 T HN 0.542 nan 8.240 nan 0.000 0.506 289 V N -0.944 118.456 119.914 -0.857 0.000 3.046 289 V HA 0.876 4.994 4.120 -0.004 0.000 0.316 289 V C -1.662 173.907 176.094 -0.875 0.000 1.104 289 V CA -1.401 60.413 62.300 -0.810 0.000 1.006 289 V CB 1.226 32.592 31.823 -0.762 0.000 1.058 289 V HN 0.986 nan 8.190 nan 0.000 0.440 290 Y N 0.164 120.384 120.300 -0.132 0.000 2.462 290 Y HA 0.702 5.250 4.550 -0.004 0.000 0.346 290 Y C -2.656 173.451 175.900 0.345 0.000 0.976 290 Y CA -2.753 55.435 58.100 0.147 0.000 1.044 290 Y CB 2.236 40.887 38.460 0.318 0.000 1.230 290 Y HN 0.434 nan 8.280 nan 0.000 0.455 291 P HA 0.008 nan 4.420 nan 0.000 0.271 291 P C -0.558 176.681 177.300 -0.102 0.000 1.216 291 P CA -0.092 63.018 63.100 0.017 0.000 0.771 291 P CB 0.640 32.016 31.700 -0.540 0.000 0.864 292 D N 2.898 123.319 120.400 0.036 0.000 2.517 292 D HA 0.091 4.729 4.640 -0.004 0.000 0.220 292 D C 0.332 176.637 176.300 0.008 0.000 1.158 292 D CA -0.290 53.866 54.000 0.260 0.000 0.992 292 D CB -0.631 40.406 40.800 0.395 0.000 1.058 292 D HN 0.130 nan 8.370 nan 0.000 0.516 293 F N 1.274 121.161 119.950 -0.104 0.000 2.449 293 F HA -0.069 4.456 4.527 -0.004 0.000 0.299 293 F C 1.591 177.127 175.800 -0.441 0.000 1.092 293 F CA 0.417 58.210 58.000 -0.345 0.000 1.446 293 F CB -0.513 38.083 39.000 -0.674 0.000 1.084 293 F HN 0.341 nan 8.300 nan 0.000 0.567 294 F N -0.063 119.798 119.950 -0.149 0.000 2.502 294 F HA 0.002 4.527 4.527 -0.004 0.000 0.298 294 F C 1.280 176.939 175.800 -0.236 0.000 1.111 294 F CA 0.465 58.187 58.000 -0.463 0.000 1.445 294 F CB -0.472 38.338 39.000 -0.317 0.000 1.081 294 F HN -0.281 nan 8.300 nan 0.000 0.558 295 R N 0.592 121.154 120.500 0.102 0.000 2.357 295 R HA 0.122 4.460 4.340 -0.004 0.000 0.296 295 R C 1.319 177.667 176.300 0.080 0.000 1.052 295 R CA -0.254 55.904 56.100 0.097 0.000 0.988 295 R CB 0.974 31.332 30.300 0.098 0.000 1.025 295 R HN -0.019 nan 8.270 nan 0.000 0.469 296 E N 2.840 123.087 120.200 0.078 0.000 2.038 296 E HA -0.271 4.077 4.350 -0.004 0.000 0.195 296 E C 1.093 177.754 176.600 0.103 0.000 1.000 296 E CA 2.350 58.805 56.400 0.092 0.000 0.803 296 E CB -0.002 29.745 29.700 0.077 0.000 0.750 296 E HN 0.715 nan 8.360 nan 0.000 0.448 297 D N -0.674 119.769 120.400 0.072 0.000 2.144 297 D HA -0.171 4.467 4.640 -0.004 0.000 0.199 297 D C 1.738 178.114 176.300 0.126 0.000 0.984 297 D CA 1.784 55.828 54.000 0.073 0.000 0.834 297 D CB -0.881 39.925 40.800 0.009 0.000 0.955 297 D HN 0.234 nan 8.370 nan 0.000 0.465 298 T N 0.432 115.047 114.554 0.102 0.000 2.788 298 T HA -0.105 4.243 4.350 -0.004 0.000 0.268 298 T C 2.069 177.001 174.700 0.387 0.000 1.044 298 T CA 1.165 63.365 62.100 0.166 0.000 1.139 298 T CB -0.102 68.777 68.868 0.018 0.000 0.867 298 T HN 0.121 nan 8.240 nan 0.000 0.454 299 R N 0.656 121.339 120.500 0.305 0.000 2.075 299 R HA -0.061 4.277 4.340 -0.004 0.000 0.232 299 R C 2.493 178.991 176.300 0.330 0.000 1.126 299 R CA 1.252 57.561 56.100 0.349 0.000 0.963 299 R CB -0.146 30.292 30.300 0.230 0.000 0.858 299 R HN 0.241 nan 8.270 nan 0.000 0.435 300 E N -0.587 119.765 120.200 0.253 0.000 2.072 300 E HA -0.208 4.140 4.350 -0.004 0.000 0.191 300 E C 1.537 178.271 176.600 0.223 0.000 0.985 300 E CA 1.359 57.875 56.400 0.195 0.000 0.801 300 E CB -0.359 29.426 29.700 0.142 0.000 0.750 300 E HN 0.426 nan 8.360 nan 0.000 0.452 301 W N 0.348 121.705 121.300 0.096 0.000 2.355 301 W HA -0.166 4.492 4.660 -0.004 0.000 0.309 301 W C 2.102 178.703 176.519 0.138 0.000 1.206 301 W CA 2.012 59.399 57.345 0.071 0.000 1.284 301 W CB -0.819 28.663 29.460 0.036 0.000 1.145 301 W HN 0.253 nan 8.180 nan 0.000 0.502 302 W N 1.344 122.620 121.300 -0.039 0.000 2.355 302 W HA -0.225 4.433 4.660 -0.004 0.000 0.309 302 W C 2.140 178.543 176.519 -0.194 0.000 1.206 302 W CA 2.768 59.974 57.345 -0.232 0.000 1.284 302 W CB -0.922 28.709 29.460 0.285 0.000 1.145 302 W HN 0.043 nan 8.180 nan 0.000 0.502 303 A N 1.142 124.023 122.820 0.101 0.000 1.940 303 A HA -0.150 4.168 4.320 -0.004 0.000 0.219 303 A C 2.256 179.717 177.584 -0.206 0.000 1.176 303 A CA 2.403 54.425 52.037 -0.025 0.000 0.631 303 A CB -1.601 17.437 19.000 0.063 0.000 0.814 303 A HN 0.384 nan 8.150 nan 0.000 0.446 304 G N -0.214 108.451 108.800 -0.225 0.000 2.421 304 G HA2 -0.160 3.798 3.960 -0.004 0.000 0.216 304 G HA3 -0.160 3.798 3.960 -0.004 0.000 0.216 304 G C 1.553 176.188 174.900 -0.442 0.000 1.171 304 G CA 1.032 45.968 45.100 -0.273 0.000 0.775 304 G HN 0.445 nan 8.290 nan 0.000 0.543 305 L N 0.330 121.123 121.223 -0.717 0.000 2.046 305 L HA -0.057 4.281 4.340 -0.004 0.000 0.208 305 L C 2.834 179.113 176.870 -0.984 0.000 1.077 305 L CA 0.402 54.625 54.840 -1.029 0.000 0.747 305 L CB -0.395 40.721 42.059 -1.572 0.000 0.896 305 L HN 0.115 nan 8.230 nan 0.000 0.432 306 I N -0.515 119.555 120.570 -0.833 0.000 2.142 306 I HA -0.294 3.874 4.170 -0.004 0.000 0.240 306 I C 2.817 178.757 176.117 -0.295 0.000 1.078 306 I CA 1.486 62.496 61.300 -0.484 0.000 1.343 306 I CB -1.079 36.701 38.000 -0.366 0.000 1.046 306 I HN 0.236 nan 8.210 nan 0.000 0.405 307 S N 0.170 115.687 115.700 -0.305 0.000 2.365 307 S HA -0.275 4.193 4.470 -0.004 0.000 0.225 307 S C 2.049 176.527 174.600 -0.203 0.000 1.039 307 S CA 1.972 60.022 58.200 -0.250 0.000 1.033 307 S CB -0.252 62.819 63.200 -0.215 0.000 0.887 307 S HN 0.471 nan 8.310 nan 0.000 0.447 308 E N -0.535 119.538 120.200 -0.212 0.000 2.110 308 E HA -0.184 4.164 4.350 -0.004 0.000 0.193 308 E C 1.930 178.488 176.600 -0.071 0.000 0.988 308 E CA 1.161 57.471 56.400 -0.149 0.000 0.804 308 E CB -0.365 29.224 29.700 -0.185 0.000 0.745 308 E HN 0.817 nan 8.360 nan 0.000 0.458 309 W N 0.939 122.068 121.300 -0.285 0.000 2.388 309 W HA -0.146 4.512 4.660 -0.004 0.000 0.294 309 W C 1.651 178.109 176.519 -0.101 0.000 1.212 309 W CA 0.729 57.984 57.345 -0.150 0.000 1.271 309 W CB -0.067 29.323 29.460 -0.115 0.000 1.126 309 W HN 0.115 nan 8.180 nan 0.000 0.535 310 L N 1.329 122.474 121.223 -0.130 0.000 2.201 310 L HA -0.224 4.114 4.340 -0.004 0.000 0.212 310 L C 2.791 179.541 176.870 -0.200 0.000 1.105 310 L CA 1.582 56.286 54.840 -0.227 0.000 0.775 310 L CB -0.932 40.922 42.059 -0.341 0.000 0.913 310 L HN -0.031 nan 8.230 nan 0.000 0.440 311 S N -0.396 115.203 115.700 -0.168 0.000 2.469 311 S HA -0.224 4.244 4.470 -0.004 0.000 0.238 311 S C 1.681 176.207 174.600 -0.123 0.000 0.998 311 S CA 0.867 58.994 58.200 -0.122 0.000 0.957 311 S CB -0.325 62.817 63.200 -0.097 0.000 0.764 311 S HN 0.580 nan 8.310 nan 0.000 0.514 312 Q N 0.606 120.295 119.800 -0.185 0.000 2.435 312 Q HA 0.331 4.668 4.340 -0.004 0.000 0.207 312 Q C 1.509 177.416 176.000 -0.155 0.000 0.956 312 Q CA 0.496 56.191 55.803 -0.181 0.000 0.917 312 Q CB -0.243 28.343 28.738 -0.253 0.000 0.997 312 Q HN 0.755 nan 8.270 nan 0.000 0.497 313 G N 0.018 108.741 108.800 -0.128 0.000 2.205 313 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.180 313 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.180 313 G C 0.006 174.901 174.900 -0.008 0.000 1.004 313 G CA -0.356 44.735 45.100 -0.015 0.000 0.670 313 G HN 0.142 nan 8.290 nan 0.000 0.496 314 V N 1.927 121.762 119.914 -0.131 0.000 2.585 314 V HA 0.176 4.294 4.120 -0.004 0.000 0.296 314 V C 1.148 177.258 176.094 0.026 0.000 1.035 314 V CA 0.938 63.184 62.300 -0.089 0.000 1.084 314 V CB 1.225 32.920 31.823 -0.213 0.000 0.953 314 V HN 0.345 nan 8.190 nan 0.000 0.483 315 D N 3.144 123.600 120.400 0.094 0.000 2.327 315 D HA 0.179 4.817 4.640 -0.004 0.000 0.205 315 D C 0.720 177.302 176.300 0.470 0.000 0.989 315 D CA 0.929 55.044 54.000 0.191 0.000 0.873 315 D CB 1.042 41.816 40.800 -0.043 0.000 0.955 315 D HN 0.702 nan 8.370 nan 0.000 0.515 316 G N 0.238 109.298 108.800 0.433 0.000 2.698 316 G HA2 0.496 4.454 3.960 -0.004 0.000 0.293 316 G HA3 0.496 4.454 3.960 -0.004 0.000 0.293 316 G C -1.450 173.776 174.900 0.544 0.000 1.437 316 G CA -0.499 45.009 45.100 0.679 0.000 0.852 316 G HN -0.118 nan 8.290 nan 0.000 0.499 317 I N 0.468 121.382 120.570 0.573 0.000 2.433 317 I HA 0.416 4.583 4.170 -0.004 0.000 0.292 317 I C -1.292 175.078 176.117 0.422 0.000 1.001 317 I CA -0.942 60.636 61.300 0.463 0.000 1.119 317 I CB 1.840 40.123 38.000 0.473 0.000 1.289 317 I HN 0.620 nan 8.210 nan 0.000 0.438 318 W N 8.656 130.087 121.300 0.218 0.000 2.338 318 W HA 0.517 5.175 4.660 -0.003 0.000 0.315 318 W C -1.540 175.093 176.519 0.190 0.000 1.005 318 W CA -1.376 56.086 57.345 0.196 0.000 1.380 318 W CB 0.598 30.215 29.460 0.262 0.000 1.235 318 W HN 0.296 nan 8.180 nan 0.000 0.409 319 L N 6.765 128.230 121.223 0.404 0.000 2.278 319 L HA 0.231 4.568 4.340 -0.004 0.000 0.287 319 L C 0.133 177.123 176.870 0.200 0.000 1.072 319 L CA 0.077 55.053 54.840 0.226 0.000 0.819 319 L CB 0.575 42.745 42.059 0.185 0.000 1.176 319 L HN 0.320 nan 8.230 nan 0.000 0.435 320 D N 3.602 124.020 120.400 0.031 0.000 2.423 320 D HA 0.480 5.118 4.640 -0.004 0.000 0.235 320 D C 0.433 176.742 176.300 0.016 0.000 1.011 320 D CA -0.311 53.723 54.000 0.056 0.000 0.963 320 D CB 1.277 41.990 40.800 -0.145 0.000 1.349 320 D HN 0.373 nan 8.370 nan 0.000 0.508 321 M N 0.751 120.351 119.600 -0.001 0.000 2.856 321 M HA -0.231 4.247 4.480 -0.004 0.000 0.189 321 M C 0.049 176.079 176.300 -0.449 0.000 0.612 321 M CA 0.522 55.755 55.300 -0.113 0.000 0.673 321 M CB -2.913 29.679 32.600 -0.012 0.000 2.440 321 M HN 0.619 nan 8.290 nan 0.000 0.437 322 N N 0.317 118.822 118.700 -0.326 0.000 2.410 322 N HA 0.157 4.894 4.740 -0.004 0.000 0.231 322 N C 0.721 176.105 175.510 -0.210 0.000 1.172 322 N CA 0.176 53.013 53.050 -0.356 0.000 0.849 322 N CB 0.124 38.535 38.487 -0.126 0.000 1.116 322 N HN 0.292 nan 8.380 nan 0.000 0.485 323 E N 0.770 120.810 120.200 -0.266 0.000 2.110 323 E HA 0.012 4.360 4.350 -0.004 0.000 0.193 323 E C -1.660 174.758 176.600 -0.304 0.000 0.988 323 E CA 0.829 57.105 56.400 -0.206 0.000 0.804 323 E CB -1.058 28.537 29.700 -0.176 0.000 0.745 323 E HN 0.594 nan 8.360 nan 0.000 0.458 324 P HA 0.132 nan 4.420 nan 0.000 0.286 324 P C -0.677 176.249 177.300 -0.624 0.000 1.261 324 P CA -0.023 62.596 63.100 -0.802 0.000 0.821 324 P CB 1.701 32.508 31.700 -1.488 0.000 1.013 325 T N 1.714 116.066 114.554 -0.337 0.000 2.902 325 T HA 0.459 4.807 4.350 -0.004 0.000 0.283 325 T C -0.713 173.893 174.700 -0.157 0.000 1.009 325 T CA 0.099 62.037 62.100 -0.269 0.000 1.051 325 T CB 0.779 69.437 68.868 -0.350 0.000 0.999 325 T HN 0.463 nan 8.240 nan 0.000 0.474 326 D N -0.094 120.116 120.400 -0.317 0.000 2.859 326 D HA 0.416 5.054 4.640 -0.004 0.000 0.223 326 D C -0.816 175.216 176.300 -0.448 0.000 1.218 326 D CA -0.591 53.257 54.000 -0.254 0.000 0.850 326 D CB 0.922 41.728 40.800 0.010 0.000 1.656 326 D HN 0.336 nan 8.370 nan 0.000 0.484 327 F N 1.283 121.231 119.950 -0.003 0.000 2.653 327 F HA 0.136 4.661 4.527 -0.004 0.000 0.304 327 F C 2.320 178.114 175.800 -0.010 0.000 1.092 327 F CA 0.020 58.012 58.000 -0.013 0.000 1.279 327 F CB 0.103 39.078 39.000 -0.042 0.000 1.044 327 F HN 0.388 nan 8.300 nan 0.000 0.564 328 S N -0.030 115.735 115.700 0.109 0.000 2.382 328 S HA -0.234 4.234 4.470 -0.004 0.000 0.228 328 S C 2.187 176.821 174.600 0.057 0.000 1.027 328 S CA 1.066 59.302 58.200 0.061 0.000 0.991 328 S CB -0.297 62.913 63.200 0.018 0.000 0.823 328 S HN 0.298 nan 8.310 nan 0.000 0.469 329 R N 1.654 122.189 120.500 0.059 0.000 2.066 329 R HA 0.213 4.551 4.340 -0.004 0.000 0.232 329 R C 2.728 179.045 176.300 0.028 0.000 1.131 329 R CA 1.379 57.500 56.100 0.036 0.000 0.955 329 R CB -1.020 29.300 30.300 0.032 0.000 0.851 329 R HN 0.549 nan 8.270 nan 0.000 0.432 330 A N 0.534 123.397 122.820 0.072 0.000 1.883 330 A HA -0.161 4.157 4.320 -0.004 0.000 0.217 330 A C 2.168 179.758 177.584 0.010 0.000 1.186 330 A CA 1.478 53.549 52.037 0.056 0.000 0.624 330 A CB -0.618 18.484 19.000 0.171 0.000 0.822 330 A HN 0.275 nan 8.150 nan 0.000 0.444 331 I N -0.773 119.826 120.570 0.049 0.000 2.315 331 I HA -0.239 3.929 4.170 -0.004 0.000 0.248 331 I C 2.539 178.650 176.117 -0.009 0.000 1.117 331 I CA 1.662 62.973 61.300 0.019 0.000 1.404 331 I CB -0.276 37.748 38.000 0.040 0.000 1.071 331 I HN 0.549 nan 8.210 nan 0.000 0.419 332 E N 1.491 121.686 120.200 -0.009 0.000 2.077 332 E HA -0.226 4.122 4.350 -0.004 0.000 0.193 332 E C 2.299 178.870 176.600 -0.048 0.000 0.989 332 E CA 1.343 57.731 56.400 -0.020 0.000 0.800 332 E CB 0.013 29.706 29.700 -0.011 0.000 0.746 332 E HN 0.451 nan 8.360 nan 0.000 0.452 333 I N 0.701 121.218 120.570 -0.088 0.000 2.252 333 I HA -0.239 3.928 4.170 -0.004 0.000 0.245 333 I C 2.838 178.821 176.117 -0.223 0.000 1.102 333 I CA 0.819 62.016 61.300 -0.171 0.000 1.385 333 I CB -0.337 37.508 38.000 -0.257 0.000 1.064 333 I HN 0.107 nan 8.210 nan 0.000 0.414 334 R N 1.049 121.434 120.500 -0.193 0.000 2.152 334 R HA -0.176 4.162 4.340 -0.004 0.000 0.232 334 R C 1.378 177.673 176.300 -0.009 0.000 1.117 334 R CA 1.649 57.679 56.100 -0.115 0.000 0.981 334 R CB -0.322 29.951 30.300 -0.046 0.000 0.870 334 R HN 0.353 nan 8.270 nan 0.000 0.451 335 D N -0.248 120.143 120.400 -0.014 0.000 2.137 335 D HA -0.069 4.569 4.640 -0.004 0.000 0.202 335 D C 1.940 178.251 176.300 0.019 0.000 0.970 335 D CA 0.875 54.881 54.000 0.010 0.000 0.837 335 D CB 0.033 40.835 40.800 0.003 0.000 0.981 335 D HN 0.052 nan 8.370 nan 0.000 0.475 336 V N 0.723 120.641 119.914 0.006 0.000 2.488 336 V HA -0.079 4.039 4.120 -0.004 0.000 0.246 336 V C 1.977 178.101 176.094 0.051 0.000 1.046 336 V CA 1.046 63.358 62.300 0.019 0.000 1.053 336 V CB -0.117 31.708 31.823 0.004 0.000 0.679 336 V HN 0.169 nan 8.190 nan 0.000 0.458 337 L N 0.268 121.536 121.223 0.076 0.000 2.910 337 L HA 0.160 4.498 4.340 -0.004 0.000 0.252 337 L C 2.217 179.261 176.870 0.289 0.000 1.195 337 L CA 0.382 55.334 54.840 0.187 0.000 1.003 337 L CB -0.011 42.216 42.059 0.280 0.000 1.328 337 L HN 0.372 nan 8.230 nan 0.000 0.540 338 S N -0.146 115.671 115.700 0.195 0.000 2.370 338 S HA -0.240 4.228 4.470 -0.004 0.000 0.226 338 S C 2.229 176.908 174.600 0.131 0.000 1.033 338 S CA 1.613 59.926 58.200 0.189 0.000 1.011 338 S CB -0.595 62.671 63.200 0.111 0.000 0.852 338 S HN 0.579 nan 8.310 nan 0.000 0.457 339 S N 2.669 118.424 115.700 0.093 0.000 2.353 339 S HA -0.025 4.443 4.470 -0.004 0.000 0.222 339 S C 0.871 175.496 174.600 0.042 0.000 1.035 339 S CA 0.389 58.623 58.200 0.057 0.000 1.025 339 S CB -1.316 61.912 63.200 0.046 0.000 0.902 339 S HN 0.444 nan 8.310 nan 0.000 0.440 340 L N 4.757 126.013 121.223 0.055 0.000 2.678 340 L HA 0.102 4.439 4.340 -0.004 0.000 0.285 340 L C -1.715 175.134 176.870 -0.034 0.000 1.233 340 L CA -0.929 53.926 54.840 0.025 0.000 0.920 340 L CB -0.146 41.949 42.059 0.060 0.000 1.176 340 L HN 0.183 nan 8.230 nan 0.000 0.495 341 P HA 0.035 nan 4.420 nan 0.000 0.259 341 P C -0.401 176.825 177.300 -0.124 0.000 1.480 341 P CA 0.079 63.134 63.100 -0.076 0.000 0.842 341 P CB 0.056 31.730 31.700 -0.043 0.000 1.513 342 V N 0.295 120.096 119.914 -0.188 0.000 2.713 342 V HA 0.240 4.358 4.120 -0.004 0.000 0.307 342 V C 0.555 176.375 176.094 -0.456 0.000 1.052 342 V CA -0.718 61.444 62.300 -0.231 0.000 0.967 342 V CB 1.977 33.714 31.823 -0.144 0.000 1.019 342 V HN 0.071 nan 8.190 nan 0.000 0.459 343 Q N 1.920 121.531 119.800 -0.316 0.000 2.279 343 Q HA 0.399 4.737 4.340 -0.004 0.000 0.256 343 Q C -1.314 174.539 176.000 -0.244 0.000 0.937 343 Q CA -0.453 55.155 55.803 -0.325 0.000 0.933 343 Q CB 0.701 29.358 28.738 -0.135 0.000 1.189 343 Q HN 0.573 nan 8.270 nan 0.000 0.417 344 F N 2.487 122.450 119.950 0.023 0.000 2.380 344 F HA 0.285 4.810 4.527 -0.004 0.000 0.325 344 F C 0.878 176.693 175.800 0.025 0.000 1.136 344 F CA -0.601 57.414 58.000 0.026 0.000 1.171 344 F CB 0.386 39.406 39.000 0.032 0.000 1.230 344 F HN 0.487 nan 8.300 nan 0.000 0.554 345 R N 0.655 121.297 120.500 0.237 0.000 2.500 345 R HA 0.287 4.625 4.340 -0.004 0.000 0.275 345 R C -0.830 175.549 176.300 0.131 0.000 1.051 345 R CA -0.760 55.422 56.100 0.136 0.000 1.088 345 R CB 0.843 31.203 30.300 0.099 0.000 1.063 345 R HN 0.552 nan 8.270 nan 0.000 0.511 346 D N 1.956 122.415 120.400 0.098 0.000 2.524 346 D HA 0.037 4.675 4.640 -0.004 0.000 0.222 346 D C -1.092 175.254 176.300 0.078 0.000 1.142 346 D CA -0.283 53.772 54.000 0.091 0.000 0.973 346 D CB 0.405 41.251 40.800 0.076 0.000 1.025 346 D HN 0.513 nan 8.370 nan 0.000 0.519 347 D N 2.273 122.718 120.400 0.074 0.000 2.411 347 D HA 0.087 4.724 4.640 -0.004 0.000 0.225 347 D C 1.323 177.666 176.300 0.071 0.000 1.156 347 D CA -0.416 53.622 54.000 0.064 0.000 0.874 347 D CB 0.671 41.502 40.800 0.052 0.000 1.034 347 D HN 0.075 nan 8.370 nan 0.000 0.502 348 R N 3.065 123.608 120.500 0.072 0.000 2.152 348 R HA -0.050 4.288 4.340 -0.004 0.000 0.232 348 R C 1.669 178.011 176.300 0.070 0.000 1.117 348 R CA 0.533 56.678 56.100 0.075 0.000 0.981 348 R CB -0.337 29.998 30.300 0.059 0.000 0.870 348 R HN 0.589 nan 8.270 nan 0.000 0.451 349 L N 0.414 121.682 121.223 0.075 0.000 2.349 349 L HA -0.110 4.227 4.340 -0.004 0.000 0.220 349 L C 2.348 179.266 176.870 0.080 0.000 1.130 349 L CA 0.496 55.393 54.840 0.096 0.000 0.791 349 L CB -0.412 41.702 42.059 0.091 0.000 0.918 349 L HN -0.008 nan 8.230 nan 0.000 0.444 350 V N 0.040 119.993 119.914 0.064 0.000 2.913 350 V HA -0.189 3.928 4.120 -0.004 0.000 0.260 350 V C 2.351 178.472 176.094 0.046 0.000 1.098 350 V CA 2.101 64.433 62.300 0.054 0.000 1.121 350 V CB -0.319 31.534 31.823 0.051 0.000 0.714 350 V HN 0.709 nan 8.190 nan 0.000 0.487 351 T N -2.171 112.402 114.554 0.032 0.000 3.129 351 T HA 0.069 4.417 4.350 -0.004 0.000 0.251 351 T C 0.850 175.492 174.700 -0.097 0.000 1.117 351 T CA 0.531 62.593 62.100 -0.063 0.000 1.034 351 T CB -0.665 68.154 68.868 -0.081 0.000 0.968 351 T HN 0.653 nan 8.240 nan 0.000 0.526 352 T N -0.316 114.231 114.554 -0.011 0.000 2.847 352 T HA 0.558 4.906 4.350 -0.004 0.000 0.279 352 T C -0.087 174.668 174.700 0.091 0.000 0.984 352 T CA -0.899 61.197 62.100 -0.007 0.000 0.988 352 T CB 0.236 69.136 68.868 0.055 0.000 1.040 352 T HN 0.012 nan 8.240 nan 0.000 0.528 353 F N 2.036 121.830 119.950 -0.259 0.000 2.553 353 F HA 0.350 4.875 4.527 -0.004 0.000 0.356 353 F C -1.634 173.980 175.800 -0.310 0.000 1.142 353 F CA -2.017 55.716 58.000 -0.446 0.000 1.322 353 F CB -0.682 37.705 39.000 -1.021 0.000 1.126 353 F HN 0.439 nan 8.300 nan 0.000 0.599 354 P HA 0.017 nan 4.420 nan 0.000 0.271 354 P C 0.457 177.677 177.300 -0.134 0.000 1.244 354 P CA -0.016 62.982 63.100 -0.169 0.000 0.793 354 P CB 0.641 32.199 31.700 -0.236 0.000 0.984 355 D N 0.152 120.513 120.400 -0.066 0.000 2.277 355 D HA -0.092 4.546 4.640 -0.004 0.000 0.208 355 D C 0.993 177.250 176.300 -0.071 0.000 0.962 355 D CA 0.900 54.884 54.000 -0.027 0.000 0.865 355 D CB -0.255 40.538 40.800 -0.012 0.000 0.939 355 D HN 0.455 nan 8.370 nan 0.000 0.510 356 N N 0.649 119.273 118.700 -0.127 0.000 2.383 356 N HA -0.045 4.692 4.740 -0.004 0.000 0.192 356 N C 0.193 175.585 175.510 -0.198 0.000 1.141 356 N CA 0.007 52.978 53.050 -0.132 0.000 0.851 356 N CB 0.035 38.460 38.487 -0.104 0.000 0.976 356 N HN -0.108 nan 8.380 nan 0.000 0.465 357 V N 1.556 121.296 119.914 -0.290 0.000 2.583 357 V HA 0.280 4.397 4.120 -0.004 0.000 0.287 357 V C 0.501 176.434 176.094 -0.269 0.000 1.051 357 V CA -0.781 61.280 62.300 -0.397 0.000 1.010 357 V CB 1.280 32.687 31.823 -0.694 0.000 0.988 357 V HN 0.243 nan 8.190 nan 0.000 0.478 358 V N 2.542 122.262 119.914 -0.323 0.000 3.001 358 V HA 0.744 4.862 4.120 -0.004 0.000 0.314 358 V C -0.711 175.100 176.094 -0.471 0.000 1.099 358 V CA -0.638 61.464 62.300 -0.330 0.000 0.989 358 V CB 2.271 33.936 31.823 -0.264 0.000 1.040 358 V HN 0.854 nan 8.190 nan 0.000 0.434 359 H N 0.890 119.880 119.070 -0.134 0.000 2.907 359 H HA 0.545 5.099 4.556 -0.004 0.000 0.361 359 H C -1.825 173.326 175.328 -0.295 0.000 1.194 359 H CA -0.467 55.553 56.048 -0.047 0.000 1.152 359 H CB 2.223 31.980 29.762 -0.008 0.000 1.867 359 H HN 0.779 nan 8.280 nan 0.000 0.561 360 Y N 1.247 121.659 120.300 0.188 0.000 2.464 360 Y HA 0.209 4.757 4.550 -0.004 0.000 0.326 360 Y C -0.369 175.591 175.900 0.099 0.000 0.969 360 Y CA -0.644 57.516 58.100 0.100 0.000 1.270 360 Y CB 1.052 39.560 38.460 0.081 0.000 1.103 360 Y HN 0.214 nan 8.280 nan 0.000 0.491 361 L N 4.764 126.080 121.223 0.155 0.000 2.287 361 L HA 0.532 4.870 4.340 -0.004 0.000 0.287 361 L C 0.378 177.404 176.870 0.260 0.000 1.022 361 L CA -0.566 54.357 54.840 0.139 0.000 0.814 361 L CB 0.583 42.666 42.059 0.040 0.000 1.217 361 L HN 0.673 nan 8.230 nan 0.000 0.420 362 R N 4.465 125.067 120.500 0.169 0.000 3.322 362 R HA -0.237 4.101 4.340 -0.004 0.000 0.253 362 R C 1.049 177.487 176.300 0.229 0.000 0.987 362 R CA 0.671 56.875 56.100 0.173 0.000 0.666 362 R CB -2.075 28.299 30.300 0.123 0.000 1.072 362 R HN 1.258 nan 8.270 nan 0.000 0.447 363 G N -0.349 108.574 108.800 0.205 0.000 2.245 363 G HA2 -0.414 3.544 3.960 -0.004 0.000 0.264 363 G HA3 -0.414 3.544 3.960 -0.004 0.000 0.264 363 G C 0.127 175.158 174.900 0.218 0.000 0.985 363 G CA 0.884 46.098 45.100 0.190 0.000 0.625 363 G HN 0.470 nan 8.290 nan 0.000 0.536 364 K N 0.431 120.951 120.400 0.200 0.000 2.138 364 K HA 0.578 4.896 4.320 -0.004 0.000 0.263 364 K C 0.306 176.872 176.600 -0.057 0.000 0.965 364 K CA -0.988 55.310 56.287 0.019 0.000 0.868 364 K CB 0.697 33.033 32.500 -0.272 0.000 1.083 364 K HN 0.177 nan 8.250 nan 0.000 0.443 365 R N 3.292 123.681 120.500 -0.184 0.000 2.248 365 R HA 0.188 4.526 4.340 -0.004 0.000 0.328 365 R C -0.647 175.468 176.300 -0.308 0.000 1.067 365 R CA -0.443 55.395 56.100 -0.437 0.000 0.924 365 R CB 0.443 30.501 30.300 -0.403 0.000 1.013 365 R HN 0.466 nan 8.270 nan 0.000 0.454 366 V N 0.473 120.219 119.914 -0.281 0.000 2.914 366 V HA 0.541 4.659 4.120 -0.004 0.000 0.314 366 V C -0.582 175.425 176.094 -0.145 0.000 1.084 366 V CA -1.297 60.891 62.300 -0.187 0.000 0.963 366 V CB 2.002 33.745 31.823 -0.133 0.000 1.025 366 V HN 0.644 nan 8.190 nan 0.000 0.432 367 K N 0.790 121.131 120.400 -0.098 0.000 2.326 367 K HA 0.208 4.526 4.320 -0.004 0.000 0.275 367 K C 0.925 177.539 176.600 0.023 0.000 1.018 367 K CA -0.089 56.168 56.287 -0.050 0.000 0.962 367 K CB 0.700 33.177 32.500 -0.040 0.000 0.953 367 K HN 0.975 nan 8.250 nan 0.000 0.475 368 H N 2.935 122.007 119.070 0.003 0.000 2.387 368 H HA -0.172 4.381 4.556 -0.004 0.000 0.299 368 H C 1.521 176.912 175.328 0.105 0.000 1.099 368 H CA 2.459 58.592 56.048 0.141 0.000 1.315 368 H CB 0.339 30.170 29.762 0.115 0.000 1.380 368 H HN 0.761 nan 8.280 nan 0.000 0.513 369 E N -0.136 120.091 120.200 0.045 0.000 2.338 369 E HA -0.149 4.199 4.350 -0.004 0.000 0.197 369 E C 1.511 178.128 176.600 0.029 0.000 1.007 369 E CA 0.804 57.251 56.400 0.079 0.000 0.849 369 E CB 0.055 29.823 29.700 0.112 0.000 0.774 369 E HN 0.317 nan 8.360 nan 0.000 0.506 370 K N 0.931 121.314 120.400 -0.027 0.000 2.243 370 K HA 0.010 4.328 4.320 -0.004 0.000 0.201 370 K C 1.983 178.547 176.600 -0.060 0.000 1.051 370 K CA 1.236 57.508 56.287 -0.024 0.000 0.970 370 K CB 0.804 33.288 32.500 -0.025 0.000 0.755 370 K HN 0.323 nan 8.250 nan 0.000 0.465 371 V N -2.506 117.317 119.914 -0.150 0.000 3.330 371 V HA 0.263 4.381 4.120 -0.004 0.000 0.309 371 V C 1.885 177.885 176.094 -0.155 0.000 1.481 371 V CA -0.220 61.966 62.300 -0.189 0.000 1.068 371 V CB 0.234 31.804 31.823 -0.421 0.000 0.935 371 V HN 0.004 nan 8.190 nan 0.000 0.453 372 R N 2.024 122.317 120.500 -0.344 0.000 2.162 372 R HA -0.262 4.076 4.340 -0.004 0.000 0.245 372 R C 1.947 178.125 176.300 -0.202 0.000 1.129 372 R CA 2.865 58.654 56.100 -0.518 0.000 0.940 372 R CB -0.409 29.455 30.300 -0.727 0.000 0.875 372 R HN 0.632 nan 8.270 nan 0.000 0.437 373 N N 0.076 118.669 118.700 -0.178 0.000 2.443 373 N HA -0.137 4.601 4.740 -0.004 0.000 0.184 373 N C 1.200 176.662 175.510 -0.080 0.000 1.037 373 N CA 1.294 54.289 53.050 -0.093 0.000 0.896 373 N CB -0.192 38.312 38.487 0.028 0.000 0.959 373 N HN 0.417 nan 8.380 nan 0.000 0.442 374 A N -0.520 122.218 122.820 -0.137 0.000 2.218 374 A HA -0.008 4.310 4.320 -0.004 0.000 0.209 374 A C 1.829 179.470 177.584 0.095 0.000 1.168 374 A CA -0.163 51.850 52.037 -0.041 0.000 0.804 374 A CB -0.476 18.550 19.000 0.043 0.000 0.834 374 A HN 0.287 nan 8.150 nan 0.000 0.482 375 Y N 2.109 122.379 120.300 -0.050 0.000 2.081 375 Y HA -0.188 4.360 4.550 -0.004 0.000 0.280 375 Y C -0.398 175.372 175.900 -0.218 0.000 1.163 375 Y CA 2.883 60.832 58.100 -0.251 0.000 1.135 375 Y CB -0.680 37.696 38.460 -0.139 0.000 0.970 375 Y HN 0.318 nan 8.280 nan 0.000 0.498 376 P HA -0.199 nan 4.420 nan 0.000 0.218 376 P C 1.824 179.012 177.300 -0.187 0.000 1.149 376 P CA 1.421 64.455 63.100 -0.110 0.000 0.817 376 P CB -0.197 31.498 31.700 -0.009 0.000 0.785 377 L N -0.737 120.413 121.223 -0.121 0.000 2.017 377 L HA -0.137 4.201 4.340 -0.004 0.000 0.208 377 L C 2.549 179.216 176.870 -0.339 0.000 1.073 377 L CA 1.905 56.661 54.840 -0.141 0.000 0.745 377 L CB -1.595 40.413 42.059 -0.086 0.000 0.894 377 L HN -0.193 nan 8.230 nan 0.000 0.432 378 Y N -0.003 120.083 120.300 -0.357 0.000 2.314 378 Y HA -0.152 4.396 4.550 -0.004 0.000 0.293 378 Y C 2.681 178.188 175.900 -0.655 0.000 1.129 378 Y CA 1.575 59.407 58.100 -0.447 0.000 1.201 378 Y CB -0.299 37.833 38.460 -0.547 0.000 0.999 378 Y HN 0.417 nan 8.280 nan 0.000 0.541 379 E N 0.131 119.818 120.200 -0.854 0.000 2.072 379 E HA -0.185 4.162 4.350 -0.004 0.000 0.191 379 E C 2.332 178.512 176.600 -0.701 0.000 0.985 379 E CA 0.957 56.484 56.400 -1.455 0.000 0.801 379 E CB -0.131 28.643 29.700 -1.543 0.000 0.750 379 E HN 0.381 nan 8.360 nan 0.000 0.452 380 A N 1.484 124.049 122.820 -0.426 0.000 1.933 380 A HA -0.185 4.133 4.320 -0.004 0.000 0.218 380 A C 2.228 179.567 177.584 -0.409 0.000 1.175 380 A CA 1.567 53.465 52.037 -0.231 0.000 0.628 380 A CB -0.615 18.345 19.000 -0.067 0.000 0.814 380 A HN 0.471 nan 8.150 nan 0.000 0.444 381 M N -0.268 118.910 119.600 -0.704 0.000 2.080 381 M HA -0.169 4.309 4.480 -0.004 0.000 0.260 381 M C 2.261 178.326 176.300 -0.391 0.000 1.068 381 M CA 1.903 56.562 55.300 -1.068 0.000 1.109 381 M CB -0.258 31.908 32.600 -0.724 0.000 1.342 381 M HN 0.411 nan 8.290 nan 0.000 0.405 382 A N -0.578 122.135 122.820 -0.179 0.000 1.969 382 A HA -0.128 4.190 4.320 -0.004 0.000 0.218 382 A C 2.016 179.754 177.584 0.257 0.000 1.169 382 A CA 2.144 54.241 52.037 0.100 0.000 0.635 382 A CB -1.133 17.987 19.000 0.199 0.000 0.810 382 A HN 0.604 nan 8.150 nan 0.000 0.445 383 T N -1.171 113.525 114.554 0.238 0.000 2.857 383 T HA -0.056 4.292 4.350 -0.004 0.000 0.266 383 T C 1.571 176.466 174.700 0.326 0.000 1.048 383 T CA 1.297 63.611 62.100 0.355 0.000 1.139 383 T CB -0.332 68.756 68.868 0.367 0.000 0.874 383 T HN 0.461 nan 8.240 nan 0.000 0.455 384 F N 2.112 122.069 119.950 0.012 0.000 2.146 384 F HA 0.031 4.556 4.527 -0.004 0.000 0.298 384 F C 2.315 178.175 175.800 0.100 0.000 1.096 384 F CA 1.233 59.231 58.000 -0.002 0.000 1.275 384 F CB -0.088 38.818 39.000 -0.156 0.000 1.008 384 F HN -0.061 nan 8.300 nan 0.000 0.480 385 K N 0.012 120.545 120.400 0.222 0.000 2.147 385 K HA -0.116 4.202 4.320 -0.004 0.000 0.205 385 K C 2.236 178.878 176.600 0.071 0.000 1.049 385 K CA 1.322 57.696 56.287 0.145 0.000 0.936 385 K CB -0.704 31.872 32.500 0.126 0.000 0.722 385 K HN 0.398 nan 8.250 nan 0.000 0.446 386 G N 0.137 108.990 108.800 0.089 0.000 2.422 386 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.218 386 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.218 386 G C 1.147 175.992 174.900 -0.092 0.000 1.140 386 G CA 0.367 45.452 45.100 -0.024 0.000 0.775 386 G HN 0.238 nan 8.290 nan 0.000 0.545 387 F N 0.893 120.751 119.950 -0.153 0.000 2.206 387 F HA 0.100 4.625 4.527 -0.004 0.000 0.298 387 F C 2.810 178.497 175.800 -0.188 0.000 1.090 387 F CA 0.850 58.743 58.000 -0.179 0.000 1.323 387 F CB 0.036 38.864 39.000 -0.287 0.000 1.028 387 F HN -0.082 nan 8.300 nan 0.000 0.492 388 R N -0.196 120.285 120.500 -0.031 0.000 2.073 388 R HA -0.093 4.245 4.340 -0.004 0.000 0.234 388 R C 2.102 178.302 176.300 -0.167 0.000 1.134 388 R CA 1.710 57.778 56.100 -0.053 0.000 0.952 388 R CB -1.772 28.530 30.300 0.004 0.000 0.850 388 R HN 0.184 nan 8.270 nan 0.000 0.433 389 T N 0.983 115.436 114.554 -0.168 0.000 2.849 389 T HA -0.066 4.282 4.350 -0.004 0.000 0.270 389 T C 1.544 176.003 174.700 -0.403 0.000 1.066 389 T CA 1.488 63.433 62.100 -0.258 0.000 1.130 389 T CB -0.076 68.698 68.868 -0.156 0.000 0.864 389 T HN 0.194 nan 8.240 nan 0.000 0.481 390 S N -0.146 115.374 115.700 -0.301 0.000 2.556 390 S HA 0.059 4.527 4.470 -0.004 0.000 0.216 390 S C 0.024 174.553 174.600 -0.119 0.000 0.970 390 S CA -0.382 57.683 58.200 -0.225 0.000 0.912 390 S CB -0.066 63.022 63.200 -0.187 0.000 0.790 390 S HN 0.518 nan 8.310 nan 0.000 0.504 391 H N 0.419 119.494 119.070 0.008 0.000 2.741 391 H HA -0.135 4.419 4.556 -0.004 0.000 0.305 391 H C 0.311 175.670 175.328 0.051 0.000 1.169 391 H CA 0.639 56.705 56.048 0.031 0.000 1.144 391 H CB -1.262 28.514 29.762 0.023 0.000 1.397 391 H HN 0.229 nan 8.280 nan 0.000 0.409 392 R N 1.876 122.454 120.500 0.130 0.000 2.196 392 R HA 0.199 4.537 4.340 -0.004 0.000 0.340 392 R C 1.041 177.461 176.300 0.200 0.000 1.043 392 R CA -0.296 55.910 56.100 0.177 0.000 0.883 392 R CB 0.319 30.743 30.300 0.206 0.000 1.078 392 R HN 0.184 nan 8.270 nan 0.000 0.462 393 N N 2.634 121.447 118.700 0.187 0.000 2.333 393 N HA -0.066 4.671 4.740 -0.004 0.000 0.178 393 N C -0.583 175.044 175.510 0.195 0.000 1.018 393 N CA 0.746 53.900 53.050 0.172 0.000 0.882 393 N CB 0.317 38.898 38.487 0.157 0.000 0.984 393 N HN 0.607 nan 8.380 nan 0.000 0.434 394 E N 1.448 121.797 120.200 0.247 0.000 1.996 394 E HA 0.267 4.615 4.350 -0.004 0.000 0.280 394 E C -0.287 176.487 176.600 0.290 0.000 1.092 394 E CA -0.031 56.532 56.400 0.273 0.000 0.862 394 E CB 0.897 30.846 29.700 0.414 0.000 1.066 394 E HN 0.198 nan 8.360 nan 0.000 0.396 395 I N 3.229 123.876 120.570 0.129 0.000 2.359 395 I HA 0.346 4.514 4.170 -0.004 0.000 0.294 395 I C -0.570 175.513 176.117 -0.058 0.000 0.987 395 I CA -0.826 60.342 61.300 -0.220 0.000 1.225 395 I CB 0.796 38.505 38.000 -0.486 0.000 1.366 395 I HN 0.393 nan 8.210 nan 0.000 0.466 396 F N 8.090 127.809 119.950 -0.385 0.000 2.612 396 F HA 0.638 5.162 4.527 -0.004 0.000 0.332 396 F C -1.265 174.454 175.800 -0.136 0.000 1.167 396 F CA -0.482 57.410 58.000 -0.179 0.000 0.970 396 F CB 0.914 39.844 39.000 -0.115 0.000 1.234 396 F HN 0.175 nan 8.300 nan 0.000 0.453 397 I N 7.063 127.113 120.570 -0.868 0.000 2.533 397 I HA 0.399 4.567 4.170 -0.004 0.000 0.290 397 I C -1.448 174.310 176.117 -0.599 0.000 1.056 397 I CA -0.830 60.150 61.300 -0.532 0.000 1.057 397 I CB 2.246 40.102 38.000 -0.241 0.000 1.240 397 I HN 0.487 nan 8.210 nan 0.000 0.423 398 L N 4.710 125.727 121.223 -0.343 0.000 2.341 398 L HA 0.619 4.956 4.340 -0.004 0.000 0.278 398 L C -0.554 176.457 176.870 0.235 0.000 1.005 398 L CA -0.107 54.655 54.840 -0.129 0.000 0.818 398 L CB 1.968 43.935 42.059 -0.153 0.000 1.259 398 L HN 0.649 nan 8.230 nan 0.000 0.418 399 S N 3.231 119.100 115.700 0.282 0.000 2.548 399 S HA 0.463 4.931 4.470 -0.004 0.000 0.286 399 S C 0.395 175.181 174.600 0.310 0.000 1.098 399 S CA -0.631 57.749 58.200 0.301 0.000 0.930 399 S CB 2.306 65.585 63.200 0.132 0.000 1.070 399 S HN 0.836 nan 8.310 nan 0.000 0.480 400 R N 1.849 122.451 120.500 0.171 0.000 2.105 400 R HA 0.416 4.754 4.340 -0.004 0.000 0.214 400 R C 0.805 176.963 176.300 -0.237 0.000 1.091 400 R CA 0.977 56.882 56.100 -0.325 0.000 1.007 400 R CB -0.234 29.781 30.300 -0.476 0.000 0.912 400 R HN 0.688 nan 8.270 nan 0.000 0.450 401 A N -0.397 122.376 122.820 -0.078 0.000 2.248 401 A HA 0.727 5.045 4.320 -0.004 0.000 0.316 401 A C -0.232 177.363 177.584 0.019 0.000 1.101 401 A CA -0.071 51.960 52.037 -0.010 0.000 0.875 401 A CB 1.308 20.304 19.000 -0.007 0.000 1.207 401 A HN 0.450 nan 8.150 nan 0.000 0.504 402 G N -2.240 106.593 108.800 0.056 0.000 2.441 402 G HA2 0.525 4.483 3.960 -0.004 0.000 0.294 402 G HA3 0.525 4.483 3.960 -0.004 0.000 0.294 402 G C -1.888 173.127 174.900 0.192 0.000 1.393 402 G CA -0.155 44.998 45.100 0.089 0.000 0.796 402 G HN 1.475 nan 8.290 nan 0.000 0.494 403 Y N -0.234 120.093 120.300 0.044 0.000 2.705 403 Y HA 0.700 5.248 4.550 -0.004 0.000 0.332 403 Y C 0.193 176.157 175.900 0.108 0.000 1.221 403 Y CA -0.347 57.814 58.100 0.102 0.000 1.059 403 Y CB 1.338 39.875 38.460 0.128 0.000 1.298 403 Y HN 1.331 nan 8.280 nan 0.000 0.459 404 A N 1.419 123.797 122.820 -0.737 0.000 2.567 404 A HA 0.399 4.717 4.320 -0.004 0.000 0.240 404 A C 1.275 178.768 177.584 -0.152 0.000 1.053 404 A CA 1.446 53.225 52.037 -0.430 0.000 0.755 404 A CB -1.361 17.343 19.000 -0.494 0.000 0.978 404 A HN 2.045 nan 8.150 nan 0.000 0.507 405 G N 1.632 110.315 108.800 -0.195 0.000 2.232 405 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.226 405 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.226 405 G C 0.906 175.697 174.900 -0.182 0.000 0.996 405 G CA 0.612 45.616 45.100 -0.161 0.000 0.626 405 G HN 1.355 nan 8.290 nan 0.000 0.509 406 I N 2.048 122.565 120.570 -0.089 0.000 2.423 406 I HA -0.162 4.006 4.170 -0.004 0.000 0.254 406 I C 2.811 178.845 176.117 -0.137 0.000 1.151 406 I CA 2.586 63.855 61.300 -0.052 0.000 1.421 406 I CB -0.103 37.901 38.000 0.007 0.000 1.079 406 I HN 0.537 nan 8.210 nan 0.000 0.431 407 Q N 0.688 120.374 119.800 -0.190 0.000 2.364 407 Q HA -0.225 4.113 4.340 -0.004 0.000 0.209 407 Q C 1.991 177.863 176.000 -0.214 0.000 0.977 407 Q CA 1.367 57.056 55.803 -0.191 0.000 0.885 407 Q CB -0.780 27.805 28.738 -0.255 0.000 0.941 407 Q HN 0.518 nan 8.270 nan 0.000 0.464 408 R N -0.503 119.697 120.500 -0.499 0.000 2.115 408 R HA -0.080 4.258 4.340 -0.004 0.000 0.230 408 R C 0.918 176.656 176.300 -0.936 0.000 1.111 408 R CA 1.690 57.302 56.100 -0.813 0.000 0.976 408 R CB -0.059 29.339 30.300 -1.502 0.000 0.870 408 R HN 0.385 nan 8.270 nan 0.000 0.445 409 Y N -1.968 118.120 120.300 -0.354 0.000 2.432 409 Y HA 0.521 5.068 4.550 -0.004 0.000 0.252 409 Y C 0.413 176.030 175.900 -0.472 0.000 1.097 409 Y CA -0.404 57.351 58.100 -0.576 0.000 1.250 409 Y CB 0.795 39.009 38.460 -0.410 0.000 1.245 409 Y HN -0.037 nan 8.280 nan 0.000 0.522 410 A N -0.794 122.042 122.820 0.026 0.000 2.610 410 A HA 0.641 4.959 4.320 -0.004 0.000 0.291 410 A C -1.671 176.136 177.584 0.372 0.000 1.086 410 A CA -0.647 51.494 52.037 0.172 0.000 0.677 410 A CB 0.533 19.572 19.000 0.065 0.000 1.278 410 A HN -0.057 nan 8.150 nan 0.000 0.414 411 F N 0.078 120.058 119.950 0.050 0.000 2.370 411 F HA 0.666 5.191 4.527 -0.004 0.000 0.324 411 F C 0.511 176.290 175.800 -0.034 0.000 1.116 411 F CA -0.344 57.659 58.000 0.005 0.000 1.123 411 F CB 1.098 39.932 39.000 -0.277 0.000 1.238 411 F HN 0.307 nan 8.300 nan 0.000 0.536 412 I N 1.539 122.207 120.570 0.163 0.000 2.533 412 I HA 0.240 4.407 4.170 -0.004 0.000 0.290 412 I C -1.346 174.902 176.117 0.219 0.000 1.056 412 I CA -0.735 60.653 61.300 0.145 0.000 1.057 412 I CB 1.898 39.924 38.000 0.044 0.000 1.240 412 I HN 0.731 nan 8.210 nan 0.000 0.423 413 W N 5.002 126.303 121.300 0.002 0.000 2.706 413 W HA 0.503 5.161 4.660 -0.004 0.000 0.346 413 W C 0.603 177.165 176.519 0.072 0.000 1.071 413 W CA -0.769 56.634 57.345 0.096 0.000 1.206 413 W CB 0.972 30.519 29.460 0.145 0.000 1.413 413 W HN 0.559 nan 8.180 nan 0.000 0.542 414 T N 1.337 115.825 114.554 -0.111 0.000 3.439 414 T HA 0.385 4.732 4.350 -0.004 0.000 0.251 414 T C 0.973 175.507 174.700 -0.277 0.000 1.108 414 T CA 0.431 62.429 62.100 -0.170 0.000 0.982 414 T CB -1.215 67.729 68.868 0.126 0.000 1.024 414 T HN 1.701 nan 8.240 nan 0.000 0.573 415 G N 2.020 110.129 108.800 -1.152 0.000 2.569 415 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.259 415 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.259 415 G C -0.642 174.367 174.900 0.182 0.000 1.263 415 G CA -0.181 44.501 45.100 -0.696 0.000 0.928 415 G HN 0.495 nan 8.290 nan 0.000 0.572 416 D N 2.641 123.206 120.400 0.274 0.000 2.600 416 D HA 0.212 4.850 4.640 -0.004 0.000 0.226 416 D C 1.139 177.567 176.300 0.213 0.000 1.119 416 D CA 0.205 54.362 54.000 0.261 0.000 1.051 416 D CB -0.719 40.218 40.800 0.229 0.000 1.106 416 D HN 0.618 nan 8.370 nan 0.000 0.491 417 N N -0.307 118.511 118.700 0.196 0.000 2.424 417 N HA 0.079 4.816 4.740 -0.004 0.000 0.257 417 N C -0.260 175.277 175.510 0.045 0.000 1.250 417 N CA -0.159 52.847 53.050 -0.073 0.000 0.946 417 N CB 0.585 39.169 38.487 0.162 0.000 1.175 417 N HN -0.198 nan 8.380 nan 0.000 0.477 418 T N 1.325 115.874 114.554 -0.009 0.000 2.771 418 T HA 0.377 4.724 4.350 -0.004 0.000 0.281 418 T C -2.575 172.167 174.700 0.070 0.000 0.982 418 T CA -1.117 61.023 62.100 0.067 0.000 0.978 418 T CB 1.378 70.337 68.868 0.152 0.000 0.930 418 T HN 0.423 nan 8.240 nan 0.000 0.447 419 P HA 0.261 nan 4.420 nan 0.000 0.266 419 P C -0.652 176.685 177.300 0.061 0.000 1.215 419 P CA 0.069 63.187 63.100 0.031 0.000 0.763 419 P CB 0.343 31.980 31.700 -0.107 0.000 0.806 420 S N 1.807 117.565 115.700 0.096 0.000 2.622 420 S HA 0.206 4.673 4.470 -0.004 0.000 0.275 420 S C -0.157 174.412 174.600 -0.053 0.000 1.112 420 S CA -0.887 57.330 58.200 0.027 0.000 0.837 420 S CB -0.153 63.109 63.200 0.102 0.000 1.082 420 S HN 0.259 nan 8.310 nan 0.000 0.456 421 W N 1.215 122.539 121.300 0.040 0.000 2.363 421 W HA 0.012 4.674 4.660 0.003 0.000 0.296 421 W C 1.665 178.176 176.519 -0.013 0.000 1.212 421 W CA 1.606 58.948 57.345 -0.005 0.000 1.260 421 W CB -0.302 29.161 29.460 0.005 0.000 1.131 421 W HN 0.750 nan 8.180 nan 0.000 0.530 422 D N -0.371 120.153 120.400 0.206 0.000 2.178 422 D HA -0.188 4.450 4.640 -0.004 0.000 0.202 422 D C 1.409 177.752 176.300 0.071 0.000 0.974 422 D CA 1.655 55.725 54.000 0.118 0.000 0.841 422 D CB -0.647 40.204 40.800 0.085 0.000 0.953 422 D HN 0.209 nan 8.370 nan 0.000 0.478 423 D N 0.264 120.706 120.400 0.070 0.000 2.218 423 D HA -0.091 4.546 4.640 -0.004 0.000 0.204 423 D C 2.208 178.534 176.300 0.043 0.000 0.976 423 D CA 0.401 54.455 54.000 0.090 0.000 0.853 423 D CB -0.056 40.846 40.800 0.170 0.000 0.939 423 D HN 0.133 nan 8.370 nan 0.000 0.481 424 L N -0.019 121.154 121.223 -0.084 0.000 2.012 424 L HA -0.179 4.159 4.340 -0.004 0.000 0.210 424 L C 2.488 179.370 176.870 0.020 0.000 1.073 424 L CA 1.249 56.002 54.840 -0.145 0.000 0.748 424 L CB -0.385 41.565 42.059 -0.182 0.000 0.891 424 L HN 0.050 nan 8.230 nan 0.000 0.431 425 K N -0.182 120.248 120.400 0.051 0.000 2.103 425 K HA -0.127 4.191 4.320 -0.004 0.000 0.204 425 K C 2.128 178.776 176.600 0.080 0.000 1.052 425 K CA 0.882 57.213 56.287 0.073 0.000 0.945 425 K CB -0.118 32.421 32.500 0.066 0.000 0.722 425 K HN 0.250 nan 8.250 nan 0.000 0.443 426 L N 1.283 122.550 121.223 0.074 0.000 2.017 426 L HA -0.247 4.091 4.340 -0.004 0.000 0.208 426 L C 2.352 179.302 176.870 0.134 0.000 1.073 426 L CA 1.492 56.383 54.840 0.086 0.000 0.745 426 L CB -0.236 41.885 42.059 0.102 0.000 0.894 426 L HN 0.294 nan 8.230 nan 0.000 0.432 427 Q N -0.531 119.376 119.800 0.178 0.000 2.135 427 Q HA -0.235 4.103 4.340 -0.004 0.000 0.204 427 Q C 2.102 178.197 176.000 0.157 0.000 0.981 427 Q CA 1.293 57.228 55.803 0.221 0.000 0.856 427 Q CB -0.593 28.335 28.738 0.316 0.000 0.902 427 Q HN 0.363 nan 8.270 nan 0.000 0.425 428 L N 1.069 122.388 121.223 0.159 0.000 2.083 428 L HA -0.177 4.161 4.340 -0.004 0.000 0.209 428 L C 2.144 179.026 176.870 0.020 0.000 1.083 428 L CA 1.761 56.664 54.840 0.106 0.000 0.752 428 L CB -0.556 41.596 42.059 0.154 0.000 0.899 428 L HN 0.237 nan 8.230 nan 0.000 0.433 429 Q N -1.666 118.169 119.800 0.059 0.000 2.119 429 Q HA -0.175 4.163 4.340 -0.004 0.000 0.201 429 Q C 2.078 178.096 176.000 0.031 0.000 0.972 429 Q CA 0.957 56.797 55.803 0.061 0.000 0.847 429 Q CB -0.154 28.642 28.738 0.097 0.000 0.903 429 Q HN 0.307 nan 8.270 nan 0.000 0.433 430 L N 0.304 121.545 121.223 0.030 0.000 1.994 430 L HA -0.159 4.179 4.340 -0.004 0.000 0.208 430 L C 2.479 179.314 176.870 -0.058 0.000 1.071 430 L CA 1.597 56.440 54.840 0.005 0.000 0.745 430 L CB -1.243 40.839 42.059 0.039 0.000 0.892 430 L HN 0.235 nan 8.230 nan 0.000 0.431 431 V N -3.390 116.448 119.914 -0.127 0.000 2.515 431 V HA -0.188 3.930 4.120 -0.004 0.000 0.250 431 V C 2.292 178.239 176.094 -0.245 0.000 1.058 431 V CA 1.280 63.430 62.300 -0.249 0.000 1.064 431 V CB -0.775 30.710 31.823 -0.562 0.000 0.675 431 V HN 0.362 nan 8.190 nan 0.000 0.461 432 L N 1.076 122.174 121.223 -0.208 0.000 2.156 432 L HA 0.098 4.436 4.340 -0.004 0.000 0.208 432 L C 2.823 179.636 176.870 -0.095 0.000 1.095 432 L CA 1.433 56.172 54.840 -0.168 0.000 0.770 432 L CB -1.125 40.857 42.059 -0.129 0.000 0.914 432 L HN 0.503 nan 8.230 nan 0.000 0.439 433 G N -0.017 108.752 108.800 -0.051 0.000 2.402 433 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.216 433 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.216 433 G C 1.528 176.387 174.900 -0.068 0.000 1.162 433 G CA 0.235 45.321 45.100 -0.024 0.000 0.777 433 G HN 0.097 nan 8.290 nan 0.000 0.539 434 L N 1.017 122.186 121.223 -0.090 0.000 2.027 434 L HA 0.042 4.379 4.340 -0.004 0.000 0.206 434 L C 3.036 179.823 176.870 -0.138 0.000 1.074 434 L CA 1.961 56.737 54.840 -0.107 0.000 0.745 434 L CB -0.933 41.065 42.059 -0.101 0.000 0.898 434 L HN 0.279 nan 8.230 nan 0.000 0.433 435 S N -0.880 114.727 115.700 -0.155 0.000 2.368 435 S HA -0.170 4.298 4.470 -0.004 0.000 0.225 435 S C 1.920 176.422 174.600 -0.164 0.000 1.030 435 S CA 1.209 59.299 58.200 -0.184 0.000 0.999 435 S CB -0.321 62.754 63.200 -0.210 0.000 0.844 435 S HN 0.318 nan 8.310 nan 0.000 0.459 436 I N 1.213 121.715 120.570 -0.115 0.000 3.291 436 I HA 0.146 4.314 4.170 -0.004 0.000 0.279 436 I C 1.081 177.148 176.117 -0.084 0.000 1.294 436 I CA 0.690 61.964 61.300 -0.043 0.000 1.428 436 I CB -0.072 37.973 38.000 0.075 0.000 1.070 436 I HN 0.118 nan 8.210 nan 0.000 0.478 437 S N 0.228 115.840 115.700 -0.147 0.000 2.574 437 S HA 0.457 4.925 4.470 -0.004 0.000 0.242 437 S C 1.306 175.734 174.600 -0.285 0.000 0.982 437 S CA 0.327 58.381 58.200 -0.244 0.000 0.977 437 S CB 0.195 63.273 63.200 -0.203 0.000 0.814 437 S HN 0.642 nan 8.310 nan 0.000 0.464 438 G N 0.758 109.440 108.800 -0.196 0.000 2.176 438 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.232 438 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.232 438 G C 0.044 174.847 174.900 -0.162 0.000 0.986 438 G CA -0.065 44.974 45.100 -0.100 0.000 0.643 438 G HN 0.460 nan 8.290 nan 0.000 0.522 439 V N 2.591 122.389 119.914 -0.194 0.000 2.277 439 V HA 0.354 4.472 4.120 -0.004 0.000 0.269 439 V C -0.269 175.647 176.094 -0.296 0.000 1.036 439 V CA -0.604 61.556 62.300 -0.233 0.000 0.821 439 V CB 1.447 33.174 31.823 -0.159 0.000 1.052 439 V HN 0.187 nan 8.190 nan 0.000 0.462 440 P HA -0.014 nan 4.420 nan 0.000 0.218 440 P C 0.281 177.341 177.300 -0.401 0.000 1.152 440 P CA 0.758 63.542 63.100 -0.527 0.000 0.826 440 P CB 0.254 31.476 31.700 -0.797 0.000 0.790 441 F N 2.379 122.131 119.950 -0.329 0.000 2.377 441 F HA 0.275 4.799 4.527 -0.004 0.000 0.360 441 F C 0.953 176.558 175.800 -0.325 0.000 1.147 441 F CA -1.458 56.211 58.000 -0.552 0.000 1.170 441 F CB -0.349 37.767 39.000 -1.474 0.000 1.339 441 F HN -0.181 nan 8.300 nan 0.000 0.552 442 V N -0.222 119.747 119.914 0.091 0.000 3.160 442 V HA 1.133 5.251 4.120 -0.004 0.000 0.310 442 V C -0.225 176.054 176.094 0.310 0.000 1.181 442 V CA -0.762 61.626 62.300 0.147 0.000 1.047 442 V CB 1.710 33.522 31.823 -0.019 0.000 1.068 442 V HN 0.793 nan 8.190 nan 0.000 0.441 443 G N -1.042 107.981 108.800 0.372 0.000 2.430 443 G HA2 0.690 4.648 3.960 -0.004 0.000 0.300 443 G HA3 0.690 4.648 3.960 -0.004 0.000 0.300 443 G C -0.952 174.249 174.900 0.502 0.000 1.330 443 G CA 0.038 45.444 45.100 0.509 0.000 0.813 443 G HN 2.143 nan 8.290 nan 0.000 0.487 444 C N -1.184 118.431 119.300 0.524 0.000 3.154 444 C HA 0.805 5.263 4.460 -0.004 0.000 0.312 444 C C -1.024 174.173 174.990 0.345 0.000 1.349 444 C CA -1.159 58.144 59.018 0.474 0.000 1.518 444 C CB 1.720 29.725 27.740 0.442 0.000 1.934 444 C HN 0.630 nan 8.230 nan 0.000 0.462 445 D N 1.938 122.544 120.400 0.343 0.000 2.346 445 D HA 0.291 4.929 4.640 -0.004 0.000 0.260 445 D C 0.333 176.588 176.300 -0.076 0.000 1.252 445 D CA 0.583 54.668 54.000 0.142 0.000 0.895 445 D CB 0.564 41.534 40.800 0.283 0.000 1.097 445 D HN 0.532 nan 8.370 nan 0.000 0.489 446 I N 1.617 122.040 120.570 -0.244 0.000 2.662 446 I HA 0.072 4.240 4.170 -0.004 0.000 0.285 446 I C 1.671 177.445 176.117 -0.572 0.000 1.161 446 I CA 0.523 61.553 61.300 -0.450 0.000 1.415 446 I CB 0.416 37.949 38.000 -0.779 0.000 1.385 446 I HN 0.657 nan 8.210 nan 0.000 0.552 447 G N 4.013 112.217 108.800 -0.994 0.000 2.194 447 G HA2 -0.075 3.883 3.960 -0.004 0.000 0.236 447 G HA3 -0.075 3.883 3.960 -0.004 0.000 0.236 447 G C 0.580 174.975 174.900 -0.842 0.000 0.987 447 G CA -0.118 44.455 45.100 -0.877 0.000 0.635 447 G HN 1.572 nan 8.290 nan 0.000 0.520 448 G N -1.492 106.859 108.800 -0.748 0.000 2.862 448 G HA2 0.142 4.100 3.960 -0.004 0.000 0.686 448 G HA3 0.142 4.100 3.960 -0.004 0.000 0.686 448 G C 0.230 175.073 174.900 -0.095 0.000 1.134 448 G CA 0.211 45.121 45.100 -0.315 0.000 0.791 448 G HN 1.556 nan 8.290 nan 0.000 0.592 449 F N 2.017 121.939 119.950 -0.047 0.000 2.098 449 F HA 0.128 4.653 4.527 -0.004 0.000 0.294 449 F C 1.802 177.588 175.800 -0.024 0.000 1.107 449 F CA 1.713 59.713 58.000 0.000 0.000 1.234 449 F CB -0.091 39.013 39.000 0.173 0.000 1.002 449 F HN 0.605 nan 8.300 nan 0.000 0.472 450 Q N 1.235 120.959 119.800 -0.127 0.000 2.310 450 Q HA 0.063 4.401 4.340 -0.004 0.000 0.315 450 Q C 0.923 176.701 176.000 -0.370 0.000 1.081 450 Q CA 0.800 56.454 55.803 -0.248 0.000 0.981 450 Q CB 0.281 29.005 28.738 -0.023 0.000 1.184 450 Q HN 0.515 nan 8.270 nan 0.000 0.389 451 G N 2.348 110.914 108.800 -0.389 0.000 2.568 451 G HA2 0.069 4.027 3.960 -0.004 0.000 0.212 451 G HA3 0.069 4.027 3.960 -0.004 0.000 0.212 451 G C 0.059 174.774 174.900 -0.308 0.000 1.821 451 G CA -0.118 44.784 45.100 -0.331 0.000 0.904 451 G HN 0.520 nan 8.290 nan 0.000 0.566 452 R N 0.722 121.066 120.500 -0.261 0.000 2.579 452 R HA 0.190 4.528 4.340 -0.004 0.000 0.386 452 R C 0.445 176.642 176.300 -0.172 0.000 1.065 452 R CA -0.183 55.775 56.100 -0.238 0.000 1.143 452 R CB 0.297 30.498 30.300 -0.165 0.000 1.357 452 R HN 0.450 nan 8.270 nan 0.000 0.644 453 N N 0.958 119.558 118.700 -0.166 0.000 2.336 453 N HA 0.009 4.747 4.740 -0.004 0.000 0.189 453 N C -0.164 175.453 175.510 0.178 0.000 1.113 453 N CA 0.181 53.246 53.050 0.025 0.000 0.858 453 N CB 0.262 38.821 38.487 0.120 0.000 0.970 453 N HN 0.220 nan 8.380 nan 0.000 0.471 454 F N -4.401 115.548 119.950 -0.000 0.000 2.688 454 F HA 0.708 5.233 4.527 -0.004 0.000 0.308 454 F C 0.728 176.532 175.800 0.006 0.000 1.117 454 F CA -1.239 56.767 58.000 0.010 0.000 0.976 454 F CB 0.572 39.586 39.000 0.023 0.000 1.291 454 F HN -0.155 nan 8.300 nan 0.000 0.439 455 A N 0.489 123.423 122.820 0.189 0.000 1.948 455 A HA -0.125 4.193 4.320 -0.004 0.000 0.220 455 A C 1.170 178.808 177.584 0.090 0.000 1.177 455 A CA 1.935 54.029 52.037 0.095 0.000 0.636 455 A CB -0.877 18.186 19.000 0.105 0.000 0.815 455 A HN 0.775 nan 8.150 nan 0.000 0.449 456 E N -0.090 120.262 120.200 0.253 0.000 2.528 456 E HA 0.305 4.653 4.350 -0.004 0.000 0.237 456 E C -0.558 176.108 176.600 0.111 0.000 1.408 456 E CA 0.211 56.744 56.400 0.222 0.000 1.571 456 E CB -0.523 29.365 29.700 0.312 0.000 1.395 456 E HN 0.599 nan 8.360 nan 0.000 0.438 457 I N 0.433 120.947 120.570 -0.094 0.000 2.465 457 I HA 0.232 4.400 4.170 -0.004 0.000 0.291 457 I C -0.364 175.698 176.117 -0.091 0.000 1.014 457 I CA -0.989 60.201 61.300 -0.183 0.000 1.093 457 I CB 1.801 39.539 38.000 -0.437 0.000 1.267 457 I HN -0.112 nan 8.210 nan 0.000 0.431 458 D N 5.942 126.313 120.400 -0.049 0.000 2.427 458 D HA 0.210 4.847 4.640 -0.004 0.000 0.226 458 D C -0.145 176.119 176.300 -0.060 0.000 1.076 458 D CA -0.219 53.770 54.000 -0.019 0.000 0.849 458 D CB 0.826 41.649 40.800 0.037 0.000 1.052 458 D HN 0.380 nan 8.370 nan 0.000 0.515 459 N N 1.800 120.460 118.700 -0.066 0.000 2.279 459 N HA -0.003 4.735 4.740 -0.004 0.000 0.226 459 N C 0.102 175.570 175.510 -0.069 0.000 1.126 459 N CA -0.114 52.885 53.050 -0.086 0.000 0.846 459 N CB 0.492 38.918 38.487 -0.102 0.000 1.050 459 N HN 0.380 nan 8.380 nan 0.000 0.502 460 S N -0.349 115.327 115.700 -0.040 0.000 2.568 460 S HA 0.133 4.601 4.470 -0.004 0.000 0.282 460 S C 1.565 176.100 174.600 -0.108 0.000 1.338 460 S CA -0.317 57.862 58.200 -0.034 0.000 1.045 460 S CB 1.128 64.368 63.200 0.067 0.000 0.873 460 S HN 0.113 nan 8.310 nan 0.000 0.516 461 M N 1.389 120.852 119.600 -0.229 0.000 2.254 461 M HA -0.075 4.403 4.480 -0.004 0.000 0.265 461 M C 1.773 177.835 176.300 -0.396 0.000 1.066 461 M CA 1.338 56.375 55.300 -0.438 0.000 1.123 461 M CB -0.524 31.537 32.600 -0.898 0.000 1.388 461 M HN 0.881 nan 8.290 nan 0.000 0.425 462 D N 0.678 120.962 120.400 -0.194 0.000 2.224 462 D HA -0.156 4.481 4.640 -0.004 0.000 0.205 462 D C 1.906 178.260 176.300 0.090 0.000 0.965 462 D CA 0.881 54.969 54.000 0.147 0.000 0.852 462 D CB -0.593 40.438 40.800 0.386 0.000 0.947 462 D HN 0.380 nan 8.370 nan 0.000 0.494 463 L N -0.191 120.984 121.223 -0.079 0.000 2.072 463 L HA -0.092 4.245 4.340 -0.004 0.000 0.205 463 L C 2.460 179.255 176.870 -0.124 0.000 1.079 463 L CA 0.717 55.274 54.840 -0.473 0.000 0.752 463 L CB -0.219 41.482 42.059 -0.596 0.000 0.906 463 L HN 0.040 nan 8.230 nan 0.000 0.436 464 L N -0.370 120.854 121.223 0.001 0.000 2.042 464 L HA -0.194 4.144 4.340 -0.004 0.000 0.210 464 L C 2.323 179.348 176.870 0.258 0.000 1.076 464 L CA 1.771 56.689 54.840 0.130 0.000 0.749 464 L CB -0.618 41.477 42.059 0.059 0.000 0.893 464 L HN 0.014 nan 8.230 nan 0.000 0.432 465 V N -0.186 119.840 119.914 0.187 0.000 2.407 465 V HA -0.253 3.865 4.120 -0.004 0.000 0.248 465 V C 2.670 178.893 176.094 0.216 0.000 1.055 465 V CA 1.657 64.098 62.300 0.234 0.000 1.049 465 V CB -0.794 31.155 31.823 0.212 0.000 0.662 465 V HN 0.417 nan 8.190 nan 0.000 0.455 466 K N -0.932 119.532 120.400 0.107 0.000 2.211 466 K HA -0.132 4.185 4.320 -0.004 0.000 0.203 466 K C 1.973 178.566 176.600 -0.012 0.000 1.050 466 K CA 1.398 57.703 56.287 0.030 0.000 0.945 466 K CB -0.511 31.921 32.500 -0.112 0.000 0.732 466 K HN 0.531 nan 8.250 nan 0.000 0.451 467 Y N -0.181 120.093 120.300 -0.042 0.000 2.163 467 Y HA -0.203 4.345 4.550 -0.003 0.000 0.288 467 Y C 2.215 178.046 175.900 -0.114 0.000 1.136 467 Y CA 1.374 59.410 58.100 -0.107 0.000 1.147 467 Y CB -0.515 37.832 38.460 -0.189 0.000 0.987 467 Y HN 0.025 nan 8.280 nan 0.000 0.509 468 Y N -1.024 119.339 120.300 0.106 0.000 2.207 468 Y HA -0.287 4.261 4.550 -0.004 0.000 0.287 468 Y C 2.487 178.463 175.900 0.127 0.000 1.156 468 Y CA 1.369 59.508 58.100 0.065 0.000 1.182 468 Y CB -0.702 37.802 38.460 0.074 0.000 0.979 468 Y HN 0.108 nan 8.280 nan 0.000 0.521 469 A N -0.730 122.248 122.820 0.263 0.000 1.968 469 A HA -0.109 4.208 4.320 -0.004 0.000 0.217 469 A C 2.123 179.855 177.584 0.247 0.000 1.169 469 A CA 1.216 53.390 52.037 0.228 0.000 0.638 469 A CB -0.934 18.197 19.000 0.218 0.000 0.812 469 A HN 0.437 nan 8.150 nan 0.000 0.446 470 L N -0.242 121.055 121.223 0.123 0.000 2.046 470 L HA -0.017 4.321 4.340 -0.004 0.000 0.208 470 L C 2.246 179.003 176.870 -0.188 0.000 1.077 470 L CA 2.249 57.125 54.840 0.060 0.000 0.747 470 L CB -0.377 41.646 42.059 -0.059 0.000 0.896 470 L HN 0.273 nan 8.230 nan 0.000 0.432 471 A N -1.185 121.388 122.820 -0.412 0.000 2.337 471 A HA 0.108 4.426 4.320 -0.004 0.000 0.227 471 A C 1.833 179.361 177.584 -0.092 0.000 1.259 471 A CA 0.393 51.885 52.037 -0.909 0.000 0.870 471 A CB -0.815 17.891 19.000 -0.490 0.000 0.927 471 A HN 0.468 nan 8.150 nan 0.000 0.497 472 L N -1.080 120.125 121.223 -0.031 0.000 2.064 472 L HA -0.176 4.161 4.340 -0.004 0.000 0.216 472 L C 1.334 177.864 176.870 -0.567 0.000 1.077 472 L CA 2.314 56.931 54.840 -0.370 0.000 0.766 472 L CB -0.594 41.031 42.059 -0.724 0.000 0.890 472 L HN 0.428 nan 8.230 nan 0.000 0.435 473 F N -2.018 117.991 119.950 0.099 0.000 2.653 473 F HA 0.253 4.777 4.527 -0.004 0.000 0.304 473 F C 0.555 176.657 175.800 0.505 0.000 1.092 473 F CA -1.097 57.038 58.000 0.226 0.000 1.279 473 F CB -0.289 38.833 39.000 0.203 0.000 1.044 473 F HN -0.209 nan 8.300 nan 0.000 0.564 474 F N 2.101 122.307 119.950 0.427 0.000 2.506 474 F HA 0.168 4.693 4.527 -0.003 0.000 0.351 474 F C -1.047 174.996 175.800 0.404 0.000 1.136 474 F CA -3.015 55.199 58.000 0.356 0.000 1.298 474 F CB -0.074 39.120 39.000 0.324 0.000 1.145 474 F HN -0.138 nan 8.300 nan 0.000 0.593 475 P HA -0.176 nan 4.420 nan 0.000 0.215 475 P C 0.050 177.774 177.300 0.707 0.000 1.157 475 P CA 1.321 64.831 63.100 0.684 0.000 0.868 475 P CB 0.124 32.179 31.700 0.592 0.000 0.788 476 F N -0.112 120.139 119.950 0.500 0.000 2.391 476 F HA 0.357 4.882 4.527 -0.003 0.000 0.359 476 F C -0.653 175.418 175.800 0.452 0.000 1.122 476 F CA -1.363 56.918 58.000 0.468 0.000 1.120 476 F CB 0.108 39.420 39.000 0.521 0.000 1.142 476 F HN -0.148 nan 8.300 nan 0.000 0.483 477 Y N 7.447 127.608 120.300 -0.231 0.000 2.842 477 Y HA 0.451 4.998 4.550 -0.004 0.000 0.334 477 Y C -0.547 175.116 175.900 -0.395 0.000 1.019 477 Y CA -0.571 57.417 58.100 -0.187 0.000 1.258 477 Y CB 0.108 38.572 38.460 0.006 0.000 1.106 477 Y HN 0.644 nan 8.280 nan 0.000 0.545 478 R N 2.760 122.844 120.500 -0.693 0.000 2.686 478 R HA 0.562 4.900 4.340 -0.004 0.000 0.283 478 R C -1.251 174.775 176.300 -0.456 0.000 0.978 478 R CA -0.610 55.092 56.100 -0.662 0.000 0.897 478 R CB 1.768 31.410 30.300 -1.096 0.000 1.192 478 R HN 0.490 nan 8.270 nan 0.000 0.457 479 S N 2.045 117.561 115.700 -0.307 0.000 2.438 479 S HA 0.314 4.782 4.470 -0.004 0.000 0.293 479 S C -1.363 173.187 174.600 -0.083 0.000 1.141 479 S CA -0.419 57.665 58.200 -0.193 0.000 1.080 479 S CB 0.529 63.711 63.200 -0.030 0.000 0.978 479 S HN 0.663 nan 8.310 nan 0.000 0.479 480 H N 2.542 121.511 119.070 -0.168 0.000 2.894 480 H HA 0.729 5.283 4.556 -0.004 0.000 0.367 480 H C -1.053 174.294 175.328 0.032 0.000 1.144 480 H CA -0.562 55.443 56.048 -0.071 0.000 1.180 480 H CB 1.488 31.191 29.762 -0.099 0.000 1.758 480 H HN 0.587 nan 8.280 nan 0.000 0.541 481 K N 2.673 122.849 120.400 -0.374 0.000 2.527 481 K HA 0.789 5.106 4.320 -0.004 0.000 0.260 481 K C -1.273 175.030 176.600 -0.495 0.000 0.937 481 K CA -0.219 55.842 56.287 -0.376 0.000 0.826 481 K CB 1.916 34.268 32.500 -0.247 0.000 1.359 481 K HN 0.703 nan 8.250 nan 0.000 0.434 482 A N 1.340 123.714 122.820 -0.743 0.000 2.386 482 A HA 0.235 4.553 4.320 -0.004 0.000 0.246 482 A C 0.722 178.098 177.584 -0.347 0.000 1.089 482 A CA 0.534 52.186 52.037 -0.642 0.000 0.790 482 A CB -0.299 18.130 19.000 -0.951 0.000 1.042 482 A HN 0.886 nan 8.150 nan 0.000 0.497 483 T N 0.806 115.154 114.554 -0.344 0.000 2.665 483 T HA -0.179 4.169 4.350 -0.004 0.000 0.268 483 T C 1.085 175.636 174.700 -0.249 0.000 1.035 483 T CA 1.924 63.811 62.100 -0.355 0.000 1.151 483 T CB -0.352 68.240 68.868 -0.459 0.000 0.862 483 T HN 0.877 nan 8.240 nan 0.000 0.438 484 D N 1.425 121.691 120.400 -0.223 0.000 2.336 484 D HA 0.180 4.818 4.640 -0.004 0.000 0.228 484 D C 0.774 176.959 176.300 -0.192 0.000 1.120 484 D CA -0.292 53.601 54.000 -0.178 0.000 0.839 484 D CB -0.530 40.188 40.800 -0.136 0.000 0.932 484 D HN 0.387 nan 8.370 nan 0.000 0.509 485 G N 1.072 109.734 108.800 -0.230 0.000 2.476 485 G HA2 0.484 4.442 3.960 -0.004 0.000 0.286 485 G HA3 0.484 4.442 3.960 -0.004 0.000 0.286 485 G C 0.706 175.495 174.900 -0.185 0.000 1.177 485 G CA -0.913 44.052 45.100 -0.225 0.000 0.870 485 G HN 0.364 nan 8.290 nan 0.000 0.528 486 I N -1.165 119.307 120.570 -0.162 0.000 2.993 486 I HA 0.139 4.307 4.170 -0.004 0.000 0.286 486 I C -0.527 175.511 176.117 -0.132 0.000 1.215 486 I CA -0.561 60.654 61.300 -0.142 0.000 1.393 486 I CB 0.524 38.455 38.000 -0.116 0.000 1.371 486 I HN 0.200 nan 8.210 nan 0.000 0.602 487 D N 3.795 124.105 120.400 -0.150 0.000 2.401 487 D HA 0.055 4.692 4.640 -0.004 0.000 0.254 487 D C 1.045 177.363 176.300 0.029 0.000 1.192 487 D CA 0.369 54.304 54.000 -0.109 0.000 0.885 487 D CB 1.336 41.902 40.800 -0.390 0.000 1.147 487 D HN 0.782 nan 8.370 nan 0.000 0.478 488 T N -1.028 113.580 114.554 0.089 0.000 3.092 488 T HA 0.092 4.440 4.350 -0.004 0.000 0.258 488 T C 0.458 175.274 174.700 0.193 0.000 1.031 488 T CA -0.532 61.634 62.100 0.110 0.000 0.925 488 T CB 0.300 69.185 68.868 0.028 0.000 1.036 488 T HN 0.062 nan 8.240 nan 0.000 0.544 489 E N 2.998 123.371 120.200 0.288 0.000 2.414 489 E HA 0.209 4.557 4.350 -0.004 0.000 0.263 489 E C -1.705 174.895 176.600 -0.001 0.000 1.000 489 E CA -2.195 54.301 56.400 0.160 0.000 0.914 489 E CB 0.549 30.327 29.700 0.130 0.000 0.948 489 E HN 0.111 nan 8.360 nan 0.000 0.444 490 P HA -0.218 nan 4.420 nan 0.000 0.216 490 P C 1.135 178.257 177.300 -0.296 0.000 1.150 490 P CA 1.225 64.098 63.100 -0.378 0.000 0.843 490 P CB 0.031 31.111 31.700 -1.034 0.000 0.787 491 V N -5.256 114.387 119.914 -0.451 0.000 3.026 491 V HA -0.139 3.979 4.120 -0.004 0.000 0.265 491 V C 1.364 177.239 176.094 -0.365 0.000 1.121 491 V CA 1.637 63.707 62.300 -0.383 0.000 1.142 491 V CB -1.767 29.733 31.823 -0.537 0.000 0.730 491 V HN -0.055 nan 8.190 nan 0.000 0.503 492 F N 0.248 120.194 119.950 -0.007 0.000 2.664 492 F HA 0.523 5.047 4.527 -0.004 0.000 0.303 492 F C 0.856 176.676 175.800 0.033 0.000 1.092 492 F CA -0.927 57.081 58.000 0.013 0.000 1.305 492 F CB -0.221 38.780 39.000 0.002 0.000 1.054 492 F HN 0.083 nan 8.300 nan 0.000 0.565 493 L N 0.990 122.315 121.223 0.170 0.000 2.379 493 L HA 0.401 4.738 4.340 -0.004 0.000 0.269 493 L C -2.057 174.929 176.870 0.194 0.000 1.084 493 L CA -2.044 52.903 54.840 0.178 0.000 0.802 493 L CB 0.640 42.799 42.059 0.166 0.000 1.175 493 L HN -0.232 nan 8.230 nan 0.000 0.448 494 P HA 0.001 nan 4.420 nan 0.000 0.269 494 P C -0.019 177.399 177.300 0.198 0.000 1.209 494 P CA -0.209 63.023 63.100 0.220 0.000 0.776 494 P CB 0.509 32.377 31.700 0.279 0.000 0.876 495 D N 0.736 121.217 120.400 0.135 0.000 2.170 495 D HA -0.257 4.381 4.640 -0.004 0.000 0.193 495 D C 1.595 177.938 176.300 0.072 0.000 1.004 495 D CA 1.790 55.847 54.000 0.095 0.000 0.860 495 D CB -0.571 40.271 40.800 0.069 0.000 0.931 495 D HN 0.495 nan 8.370 nan 0.000 0.448 496 Y N 0.602 120.862 120.300 -0.066 0.000 2.081 496 Y HA -0.340 4.208 4.550 -0.003 0.000 0.280 496 Y C 2.177 177.942 175.900 -0.224 0.000 1.163 496 Y CA 1.735 59.712 58.100 -0.205 0.000 1.135 496 Y CB -0.629 37.602 38.460 -0.382 0.000 0.970 496 Y HN -0.011 nan 8.280 nan 0.000 0.498 497 Y N 0.123 120.452 120.300 0.047 0.000 2.286 497 Y HA -0.073 4.474 4.550 -0.005 0.000 0.293 497 Y C 2.569 178.441 175.900 -0.048 0.000 1.124 497 Y CA 1.529 59.609 58.100 -0.034 0.000 1.178 497 Y CB -0.660 37.860 38.460 0.100 0.000 1.010 497 Y HN 0.083 nan 8.280 nan 0.000 0.536 498 K N 0.376 120.869 120.400 0.155 0.000 2.063 498 K HA -0.211 4.106 4.320 -0.004 0.000 0.208 498 K C 1.944 178.607 176.600 0.105 0.000 1.048 498 K CA 1.647 58.023 56.287 0.148 0.000 0.928 498 K CB -0.004 32.595 32.500 0.165 0.000 0.713 498 K HN 0.079 nan 8.250 nan 0.000 0.442 499 E N 1.016 121.212 120.200 -0.007 0.000 2.106 499 E HA -0.146 4.202 4.350 -0.004 0.000 0.192 499 E C 1.805 178.346 176.600 -0.098 0.000 0.984 499 E CA 1.168 57.525 56.400 -0.071 0.000 0.806 499 E CB 0.098 29.733 29.700 -0.109 0.000 0.750 499 E HN 0.343 nan 8.360 nan 0.000 0.458 500 K N 0.069 120.386 120.400 -0.139 0.000 2.057 500 K HA -0.069 4.249 4.320 -0.004 0.000 0.206 500 K C 2.190 178.749 176.600 -0.069 0.000 1.050 500 K CA 1.062 57.274 56.287 -0.124 0.000 0.935 500 K CB -0.028 32.380 32.500 -0.154 0.000 0.715 500 K HN -0.034 nan 8.250 nan 0.000 0.439 501 V N 1.781 121.652 119.914 -0.072 0.000 2.358 501 V HA -0.242 3.876 4.120 -0.004 0.000 0.246 501 V C 2.314 178.382 176.094 -0.042 0.000 1.047 501 V CA 1.599 63.784 62.300 -0.192 0.000 1.035 501 V CB -0.370 31.208 31.823 -0.409 0.000 0.658 501 V HN 0.314 nan 8.190 nan 0.000 0.452 502 K N 0.177 120.603 120.400 0.043 0.000 2.063 502 K HA -0.231 4.087 4.320 -0.004 0.000 0.208 502 K C 2.112 178.641 176.600 -0.117 0.000 1.048 502 K CA 1.944 58.133 56.287 -0.164 0.000 0.928 502 K CB -0.107 32.169 32.500 -0.372 0.000 0.713 502 K HN 0.592 nan 8.250 nan 0.000 0.442 503 E N 0.217 120.376 120.200 -0.069 0.000 2.150 503 E HA -0.145 4.202 4.350 -0.004 0.000 0.193 503 E C 2.048 178.663 176.600 0.024 0.000 0.985 503 E CA 1.003 57.392 56.400 -0.018 0.000 0.814 503 E CB -0.025 29.669 29.700 -0.010 0.000 0.752 503 E HN 0.368 nan 8.360 nan 0.000 0.466 504 I N 0.684 121.261 120.570 0.011 0.000 2.252 504 I HA -0.223 3.944 4.170 -0.004 0.000 0.245 504 I C 2.301 178.411 176.117 -0.012 0.000 1.102 504 I CA 0.733 62.049 61.300 0.027 0.000 1.385 504 I CB -0.104 37.936 38.000 0.068 0.000 1.064 504 I HN -0.026 nan 8.210 nan 0.000 0.414 505 V N 0.756 120.665 119.914 -0.009 0.000 2.427 505 V HA -0.248 3.869 4.120 -0.004 0.000 0.248 505 V C 2.284 178.426 176.094 0.080 0.000 1.051 505 V CA 1.797 64.082 62.300 -0.025 0.000 1.048 505 V CB -0.679 31.146 31.823 0.002 0.000 0.666 505 V HN 0.438 nan 8.190 nan 0.000 0.456 506 E N -0.138 120.115 120.200 0.088 0.000 2.106 506 E HA -0.222 4.126 4.350 -0.004 0.000 0.192 506 E C 2.110 178.794 176.600 0.141 0.000 0.984 506 E CA 1.125 57.605 56.400 0.135 0.000 0.806 506 E CB -0.193 29.537 29.700 0.050 0.000 0.750 506 E HN 0.413 nan 8.360 nan 0.000 0.458 507 L N 1.360 122.646 121.223 0.104 0.000 2.141 507 L HA -0.134 4.204 4.340 -0.004 0.000 0.209 507 L C 2.330 179.268 176.870 0.114 0.000 1.094 507 L CA 1.573 56.504 54.840 0.153 0.000 0.763 507 L CB -0.249 41.910 42.059 0.167 0.000 0.908 507 L HN -0.064 nan 8.230 nan 0.000 0.437 508 R N -1.868 118.580 120.500 -0.086 0.000 2.066 508 R HA -0.217 4.121 4.340 -0.004 0.000 0.232 508 R C 2.270 178.515 176.300 -0.092 0.000 1.131 508 R CA 1.842 57.793 56.100 -0.248 0.000 0.955 508 R CB -0.536 29.401 30.300 -0.605 0.000 0.851 508 R HN 0.360 nan 8.270 nan 0.000 0.432 509 Y N 0.943 121.248 120.300 0.009 0.000 2.333 509 Y HA -0.178 4.370 4.550 -0.004 0.000 0.290 509 Y C 2.368 178.308 175.900 0.065 0.000 1.144 509 Y CA 1.686 59.814 58.100 0.047 0.000 1.228 509 Y CB -0.162 38.321 38.460 0.038 0.000 0.985 509 Y HN 0.119 nan 8.280 nan 0.000 0.542 510 K N -0.678 119.841 120.400 0.197 0.000 2.148 510 K HA -0.130 4.188 4.320 -0.004 0.000 0.204 510 K C 1.024 177.601 176.600 -0.038 0.000 1.050 510 K CA 1.270 57.596 56.287 0.065 0.000 0.942 510 K CB -0.272 32.237 32.500 0.015 0.000 0.724 510 K HN 0.238 nan 8.250 nan 0.000 0.446 511 F N 0.172 120.191 119.950 0.114 0.000 2.727 511 F HA 0.087 4.611 4.527 -0.004 0.000 0.302 511 F C 1.430 177.358 175.800 0.213 0.000 1.097 511 F CA -0.316 57.798 58.000 0.190 0.000 1.330 511 F CB 0.203 39.377 39.000 0.290 0.000 1.084 511 F HN -0.017 nan 8.300 nan 0.000 0.578 512 L N 1.597 122.981 121.223 0.269 0.000 2.051 512 L HA -0.156 4.182 4.340 -0.004 0.000 0.214 512 L C -0.704 176.287 176.870 0.202 0.000 1.076 512 L CA 2.358 57.307 54.840 0.182 0.000 0.758 512 L CB -1.527 40.611 42.059 0.131 0.000 0.890 512 L HN -0.067 nan 8.230 nan 0.000 0.433 513 P HA -0.237 nan 4.420 nan 0.000 0.216 513 P C 1.236 178.840 177.300 0.506 0.000 1.153 513 P CA 1.480 64.830 63.100 0.416 0.000 0.858 513 P CB -0.227 31.734 31.700 0.435 0.000 0.789 514 Y N 0.162 120.652 120.300 0.316 0.000 2.163 514 Y HA -0.128 4.420 4.550 -0.004 0.000 0.288 514 Y C 2.065 178.133 175.900 0.281 0.000 1.136 514 Y CA 1.147 59.440 58.100 0.322 0.000 1.147 514 Y CB -1.097 37.528 38.460 0.274 0.000 0.987 514 Y HN -0.177 nan 8.280 nan 0.000 0.509 515 I N -1.008 119.644 120.570 0.138 0.000 2.163 515 I HA -0.360 3.807 4.170 -0.004 0.000 0.243 515 I C 2.107 178.132 176.117 -0.153 0.000 1.085 515 I CA 1.794 63.067 61.300 -0.045 0.000 1.347 515 I CB -0.631 37.425 38.000 0.095 0.000 1.044 515 I HN 0.207 nan 8.210 nan 0.000 0.408 516 Y N 1.482 121.604 120.300 -0.296 0.000 2.274 516 Y HA -0.219 4.329 4.550 -0.004 0.000 0.290 516 Y C 2.768 178.559 175.900 -0.181 0.000 1.145 516 Y CA 1.257 59.076 58.100 -0.469 0.000 1.203 516 Y CB -0.339 37.794 38.460 -0.545 0.000 0.984 516 Y HN 0.082 nan 8.280 nan 0.000 0.533 517 S N 0.037 115.773 115.700 0.060 0.000 2.383 517 S HA -0.150 4.318 4.470 -0.004 0.000 0.227 517 S C 2.067 176.612 174.600 -0.091 0.000 1.026 517 S CA 1.394 59.629 58.200 0.058 0.000 0.981 517 S CB -0.450 62.962 63.200 0.353 0.000 0.818 517 S HN 0.432 nan 8.310 nan 0.000 0.472 518 L N 0.970 122.127 121.223 -0.109 0.000 2.156 518 L HA -0.036 4.302 4.340 -0.004 0.000 0.208 518 L C 2.708 179.510 176.870 -0.113 0.000 1.095 518 L CA 0.918 55.678 54.840 -0.133 0.000 0.770 518 L CB -0.613 41.306 42.059 -0.234 0.000 0.914 518 L HN 0.314 nan 8.230 nan 0.000 0.439 519 A N 0.173 122.887 122.820 -0.178 0.000 1.898 519 A HA -0.201 4.117 4.320 -0.004 0.000 0.216 519 A C 2.200 179.708 177.584 -0.126 0.000 1.181 519 A CA 1.454 53.452 52.037 -0.066 0.000 0.620 519 A CB -0.564 18.188 19.000 -0.413 0.000 0.819 519 A HN 0.321 nan 8.150 nan 0.000 0.442 520 L N 0.198 121.231 121.223 -0.316 0.000 2.046 520 L HA -0.141 4.197 4.340 -0.004 0.000 0.208 520 L C 2.225 178.990 176.870 -0.174 0.000 1.077 520 L CA 2.697 57.381 54.840 -0.260 0.000 0.747 520 L CB -0.643 41.250 42.059 -0.277 0.000 0.896 520 L HN 0.594 nan 8.230 nan 0.000 0.432 521 E N -0.572 119.527 120.200 -0.168 0.000 2.110 521 E HA -0.247 4.101 4.350 -0.004 0.000 0.193 521 E C 2.050 178.534 176.600 -0.195 0.000 0.988 521 E CA 1.139 57.437 56.400 -0.171 0.000 0.804 521 E CB -0.141 29.493 29.700 -0.110 0.000 0.745 521 E HN 0.645 nan 8.360 nan 0.000 0.458 522 A N 0.935 123.674 122.820 -0.135 0.000 1.877 522 A HA -0.190 4.127 4.320 -0.004 0.000 0.216 522 A C 2.331 179.803 177.584 -0.188 0.000 1.186 522 A CA 2.065 54.000 52.037 -0.170 0.000 0.620 522 A CB -0.754 18.132 19.000 -0.189 0.000 0.822 522 A HN 0.443 nan 8.150 nan 0.000 0.443 523 S N -0.421 115.213 115.700 -0.110 0.000 2.474 523 S HA -0.091 4.377 4.470 -0.004 0.000 0.235 523 S C 1.458 175.986 174.600 -0.119 0.000 0.997 523 S CA 1.293 59.437 58.200 -0.093 0.000 0.949 523 S CB -0.248 62.936 63.200 -0.026 0.000 0.766 523 S HN 0.697 nan 8.310 nan 0.000 0.517 524 E N 0.928 121.036 120.200 -0.153 0.000 2.201 524 E HA 0.150 4.498 4.350 -0.004 0.000 0.193 524 E C 1.549 178.024 176.600 -0.209 0.000 0.957 524 E CA 0.465 56.770 56.400 -0.158 0.000 0.858 524 E CB 0.142 29.751 29.700 -0.152 0.000 0.816 524 E HN 0.518 nan 8.360 nan 0.000 0.475 525 K N -0.755 119.458 120.400 -0.311 0.000 2.440 525 K HA 0.192 4.510 4.320 -0.004 0.000 0.207 525 K C 0.618 177.003 176.600 -0.359 0.000 1.112 525 K CA 0.463 56.501 56.287 -0.415 0.000 1.036 525 K CB 1.791 33.834 32.500 -0.761 0.000 0.935 525 K HN 0.170 nan 8.250 nan 0.000 0.564 526 G N 2.401 111.032 108.800 -0.281 0.000 2.147 526 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.244 526 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.244 526 G C -0.568 174.315 174.900 -0.029 0.000 1.005 526 G CA -0.053 44.945 45.100 -0.169 0.000 0.713 526 G HN 0.513 nan 8.290 nan 0.000 0.515 527 H N 1.359 120.360 119.070 -0.114 0.000 2.580 527 H HA 0.362 4.916 4.556 -0.004 0.000 0.322 527 H C -1.851 173.361 175.328 -0.193 0.000 1.082 527 H CA -1.642 54.349 56.048 -0.096 0.000 1.383 527 H CB 1.415 31.140 29.762 -0.062 0.000 1.450 527 H HN 0.199 nan 8.280 nan 0.000 0.505 528 P HA -0.067 nan 4.420 nan 0.000 0.272 528 P C 0.702 177.873 177.300 -0.215 0.000 1.223 528 P CA -0.132 62.822 63.100 -0.243 0.000 0.784 528 P CB 1.698 33.207 31.700 -0.319 0.000 0.923 529 V N 2.887 122.715 119.914 -0.142 0.000 2.255 529 V HA -0.124 3.994 4.120 -0.004 0.000 0.243 529 V C 1.488 177.544 176.094 -0.064 0.000 1.038 529 V CA 1.540 63.803 62.300 -0.063 0.000 1.008 529 V CB -0.842 31.030 31.823 0.082 0.000 0.645 529 V HN 0.511 nan 8.190 nan 0.000 0.449 530 I N -0.366 120.182 120.570 -0.037 0.000 2.428 530 I HA 0.655 4.823 4.170 -0.004 0.000 0.296 530 I C -0.315 175.723 176.117 -0.133 0.000 0.985 530 I CA -0.577 60.737 61.300 0.023 0.000 1.260 530 I CB 1.148 39.182 38.000 0.057 0.000 1.389 530 I HN 0.086 nan 8.210 nan 0.000 0.484 531 R N 4.613 125.055 120.500 -0.097 0.000 2.698 531 R HA 0.562 4.900 4.340 -0.004 0.000 0.275 531 R C -2.844 173.354 176.300 -0.170 0.000 1.001 531 R CA -1.823 54.120 56.100 -0.262 0.000 0.896 531 R CB 1.866 31.870 30.300 -0.494 0.000 1.218 531 R HN 0.464 nan 8.270 nan 0.000 0.462 532 P HA 0.084 nan 4.420 nan 0.000 0.274 532 P C 0.566 177.619 177.300 -0.412 0.000 1.237 532 P CA -0.357 62.468 63.100 -0.460 0.000 0.793 532 P CB 0.889 31.998 31.700 -0.985 0.000 0.977 533 L N 1.025 122.105 121.223 -0.238 0.000 2.079 533 L HA -0.191 4.147 4.340 -0.004 0.000 0.210 533 L C 2.449 179.347 176.870 0.046 0.000 1.081 533 L CA 1.815 56.655 54.840 -0.001 0.000 0.752 533 L CB -1.140 40.929 42.059 0.016 0.000 0.896 533 L HN 0.376 nan 8.230 nan 0.000 0.433 534 F N -1.692 118.200 119.950 -0.097 0.000 2.494 534 F HA -0.198 4.327 4.527 -0.004 0.000 0.298 534 F C 2.314 178.044 175.800 -0.117 0.000 1.106 534 F CA 0.395 58.206 58.000 -0.314 0.000 1.452 534 F CB -1.426 36.877 39.000 -1.160 0.000 1.085 534 F HN -0.040 nan 8.300 nan 0.000 0.569 535 Y N 1.538 121.704 120.300 -0.224 0.000 2.200 535 Y HA -0.061 4.487 4.550 -0.004 0.000 0.290 535 Y C 2.102 177.924 175.900 -0.130 0.000 1.137 535 Y CA 1.899 59.937 58.100 -0.105 0.000 1.163 535 Y CB -0.188 38.141 38.460 -0.218 0.000 0.988 535 Y HN 0.017 nan 8.280 nan 0.000 0.518 536 E N -0.750 119.448 120.200 -0.003 0.000 2.318 536 E HA 0.032 4.380 4.350 -0.004 0.000 0.193 536 E C -0.371 175.740 176.600 -0.815 0.000 0.998 536 E CA 0.493 56.641 56.400 -0.421 0.000 0.859 536 E CB 0.111 29.487 29.700 -0.539 0.000 0.812 536 E HN 0.453 nan 8.360 nan 0.000 0.492 537 F N 1.218 121.207 119.950 0.064 0.000 2.577 537 F HA 0.183 4.708 4.527 -0.003 0.000 0.342 537 F C 1.439 177.292 175.800 0.088 0.000 1.479 537 F CA -0.518 57.529 58.000 0.078 0.000 1.110 537 F CB 0.306 39.364 39.000 0.098 0.000 1.306 537 F HN -0.142 nan 8.300 nan 0.000 0.554 538 Q N 0.002 119.901 119.800 0.164 0.000 2.364 538 Q HA -0.163 4.175 4.340 -0.004 0.000 0.209 538 Q C 0.874 177.074 176.000 0.332 0.000 0.977 538 Q CA 1.852 57.803 55.803 0.247 0.000 0.885 538 Q CB -0.247 28.595 28.738 0.173 0.000 0.941 538 Q HN 0.559 nan 8.270 nan 0.000 0.464 539 D N 0.242 120.792 120.400 0.250 0.000 2.349 539 D HA -0.069 4.569 4.640 -0.004 0.000 0.215 539 D C -0.363 176.083 176.300 0.242 0.000 1.016 539 D CA 0.095 54.228 54.000 0.221 0.000 0.870 539 D CB -0.003 40.890 40.800 0.155 0.000 0.917 539 D HN 0.188 nan 8.370 nan 0.000 0.524 540 D N 0.856 121.429 120.400 0.289 0.000 2.427 540 D HA 0.081 4.719 4.640 -0.004 0.000 0.226 540 D C 0.558 177.047 176.300 0.314 0.000 1.076 540 D CA -0.535 53.613 54.000 0.247 0.000 0.849 540 D CB 1.257 42.175 40.800 0.196 0.000 1.052 540 D HN -0.300 nan 8.370 nan 0.000 0.515 541 D N 2.761 123.333 120.400 0.287 0.000 2.158 541 D HA -0.183 4.454 4.640 -0.004 0.000 0.197 541 D C 0.930 177.397 176.300 0.279 0.000 0.995 541 D CA 1.027 55.210 54.000 0.305 0.000 0.846 541 D CB 0.181 41.129 40.800 0.246 0.000 0.941 541 D HN 0.541 nan 8.370 nan 0.000 0.456 542 D N -0.044 120.471 120.400 0.190 0.000 2.133 542 D HA -0.148 4.489 4.640 -0.004 0.000 0.195 542 D C 2.046 178.427 176.300 0.135 0.000 0.997 542 D CA 0.734 54.814 54.000 0.134 0.000 0.840 542 D CB -0.162 40.684 40.800 0.076 0.000 0.947 542 D HN 0.139 nan 8.370 nan 0.000 0.452 543 M N -0.527 119.154 119.600 0.134 0.000 2.267 543 M HA -0.158 4.320 4.480 -0.004 0.000 0.263 543 M C 1.335 177.676 176.300 0.069 0.000 1.063 543 M CA 1.110 56.449 55.300 0.064 0.000 1.090 543 M CB -1.027 31.597 32.600 0.040 0.000 1.392 543 M HN 0.207 nan 8.290 nan 0.000 0.422 544 Y N -0.284 120.050 120.300 0.057 0.000 2.578 544 Y HA 0.011 4.558 4.550 -0.004 0.000 0.297 544 Y C 1.899 177.848 175.900 0.082 0.000 1.176 544 Y CA 0.460 58.566 58.100 0.010 0.000 1.315 544 Y CB -0.209 37.986 38.460 -0.442 0.000 1.031 544 Y HN 0.114 nan 8.280 nan 0.000 0.524 545 R N -0.577 120.044 120.500 0.201 0.000 2.404 545 R HA 0.209 4.547 4.340 -0.004 0.000 0.237 545 R C -0.467 175.907 176.300 0.124 0.000 0.907 545 R CA -0.088 56.106 56.100 0.158 0.000 1.063 545 R CB 0.206 30.584 30.300 0.130 0.000 1.134 545 R HN 0.142 nan 8.270 nan 0.000 0.529 546 I N 1.846 122.481 120.570 0.109 0.000 2.322 546 I HA 0.077 4.245 4.170 -0.004 0.000 0.292 546 I C 0.991 177.158 176.117 0.084 0.000 1.060 546 I CA 0.347 61.686 61.300 0.066 0.000 1.309 546 I CB 0.922 38.931 38.000 0.015 0.000 1.415 546 I HN 0.043 nan 8.210 nan 0.000 0.492 547 E N 2.917 123.169 120.200 0.087 0.000 2.641 547 E HA 0.034 4.381 4.350 -0.004 0.000 0.224 547 E C -0.174 176.486 176.600 0.100 0.000 0.951 547 E CA 0.203 56.663 56.400 0.101 0.000 1.102 547 E CB 0.596 30.369 29.700 0.122 0.000 1.091 547 E HN 0.668 nan 8.360 nan 0.000 0.507 548 D N 0.931 121.379 120.400 0.079 0.000 2.427 548 D HA 0.134 4.772 4.640 -0.004 0.000 0.224 548 D C 0.001 176.341 176.300 0.067 0.000 1.157 548 D CA -0.013 54.035 54.000 0.080 0.000 0.828 548 D CB 0.089 40.920 40.800 0.052 0.000 0.974 548 D HN -0.008 nan 8.370 nan 0.000 0.498 549 E N -0.286 119.968 120.200 0.089 0.000 2.383 549 E HA 0.508 4.856 4.350 -0.004 0.000 0.275 549 E C -1.358 175.358 176.600 0.192 0.000 0.918 549 E CA -1.234 55.197 56.400 0.050 0.000 0.764 549 E CB 2.229 31.898 29.700 -0.052 0.000 1.252 549 E HN 0.229 nan 8.360 nan 0.000 0.449 550 Y N -1.142 119.179 120.300 0.034 0.000 2.592 550 Y HA 0.544 5.092 4.550 -0.004 0.000 0.334 550 Y C -1.378 174.572 175.900 0.084 0.000 1.136 550 Y CA -1.446 56.685 58.100 0.051 0.000 1.042 550 Y CB 0.921 39.446 38.460 0.109 0.000 1.325 550 Y HN 0.249 nan 8.280 nan 0.000 0.457 551 M N 3.132 122.849 119.600 0.195 0.000 2.277 551 M HA 0.468 4.946 4.480 -0.004 0.000 0.350 551 M C -1.028 175.356 176.300 0.139 0.000 1.180 551 M CA -0.922 54.450 55.300 0.120 0.000 1.103 551 M CB 1.665 34.340 32.600 0.124 0.000 1.577 551 M HN 0.616 nan 8.290 nan 0.000 0.459 552 V N 2.789 122.727 119.914 0.041 0.000 2.293 552 V HA 0.635 4.753 4.120 -0.004 0.000 0.275 552 V C 0.783 176.891 176.094 0.024 0.000 1.021 552 V CA 0.150 62.460 62.300 0.016 0.000 0.815 552 V CB 0.278 31.972 31.823 -0.215 0.000 1.025 552 V HN 1.158 nan 8.190 nan 0.000 0.448 553 G N 4.742 113.503 108.800 -0.065 0.000 2.562 553 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.250 553 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.250 553 G C 0.615 175.466 174.900 -0.081 0.000 1.269 553 G CA 0.567 45.599 45.100 -0.114 0.000 0.919 553 G HN 0.721 nan 8.290 nan 0.000 0.574 554 K N -0.867 119.408 120.400 -0.208 0.000 2.352 554 K HA 0.281 4.598 4.320 -0.004 0.000 0.194 554 K C 1.817 178.418 176.600 0.002 0.000 1.038 554 K CA 1.009 57.183 56.287 -0.188 0.000 1.023 554 K CB 0.005 32.294 32.500 -0.350 0.000 0.840 554 K HN 0.512 nan 8.250 nan 0.000 0.519 555 Y N -0.061 120.333 120.300 0.157 0.000 2.524 555 Y HA 0.255 4.803 4.550 -0.004 0.000 0.270 555 Y C 0.504 176.489 175.900 0.142 0.000 1.094 555 Y CA -0.442 57.710 58.100 0.087 0.000 1.276 555 Y CB 0.294 38.722 38.460 -0.054 0.000 1.130 555 Y HN -0.102 nan 8.280 nan 0.000 0.536 556 L N 1.296 122.680 121.223 0.270 0.000 2.313 556 L HA 0.513 4.850 4.340 -0.004 0.000 0.283 556 L C -1.185 175.763 176.870 0.131 0.000 1.013 556 L CA -0.860 54.064 54.840 0.140 0.000 0.816 556 L CB 1.656 43.631 42.059 -0.140 0.000 1.236 556 L HN 0.041 nan 8.230 nan 0.000 0.419 557 L N 5.184 126.543 121.223 0.227 0.000 2.296 557 L HA 0.440 4.778 4.340 -0.004 0.000 0.286 557 L C -1.622 175.313 176.870 0.108 0.000 1.023 557 L CA -0.549 54.352 54.840 0.102 0.000 0.812 557 L CB 1.212 43.218 42.059 -0.089 0.000 1.223 557 L HN 0.614 nan 8.230 nan 0.000 0.421 558 Y N 4.791 124.958 120.300 -0.222 0.000 2.350 558 Y HA 0.650 5.198 4.550 -0.003 0.000 0.338 558 Y C -0.596 175.210 175.900 -0.156 0.000 0.961 558 Y CA -1.420 56.554 58.100 -0.209 0.000 1.100 558 Y CB 1.879 40.087 38.460 -0.420 0.000 1.179 558 Y HN 0.559 nan 8.280 nan 0.000 0.454 559 A N 9.448 132.108 122.820 -0.266 0.000 2.786 559 A HA 0.488 4.806 4.320 -0.004 0.000 0.346 559 A C -2.841 174.478 177.584 -0.441 0.000 1.265 559 A CA -1.715 50.154 52.037 -0.280 0.000 0.858 559 A CB -0.385 18.579 19.000 -0.061 0.000 1.118 559 A HN 0.519 nan 8.150 nan 0.000 0.482 560 P HA 0.087 nan 4.420 nan 0.000 0.269 560 P C -0.279 176.943 177.300 -0.130 0.000 1.209 560 P CA 0.303 63.095 63.100 -0.513 0.000 0.776 560 P CB 0.858 32.327 31.700 -0.385 0.000 0.876 561 I N 3.138 123.699 120.570 -0.015 0.000 2.363 561 I HA -0.003 4.165 4.170 -0.004 0.000 0.292 561 I C 1.319 177.498 176.117 0.105 0.000 1.075 561 I CA -0.242 61.090 61.300 0.052 0.000 1.333 561 I CB 0.777 38.825 38.000 0.079 0.000 1.415 561 I HN 0.171 nan 8.210 nan 0.000 0.502 562 V N 2.821 122.800 119.914 0.109 0.000 3.039 562 V HA 0.363 4.480 4.120 -0.004 0.000 0.369 562 V C 0.343 176.605 176.094 0.280 0.000 1.344 562 V CA -0.114 62.290 62.300 0.174 0.000 1.270 562 V CB -0.942 30.944 31.823 0.105 0.000 1.284 562 V HN 0.705 nan 8.190 nan 0.000 0.518 563 S N -0.662 115.178 115.700 0.233 0.000 2.705 563 S HA 0.605 5.073 4.470 -0.004 0.000 0.280 563 S C 0.107 174.557 174.600 -0.249 0.000 1.174 563 S CA -0.668 57.511 58.200 -0.035 0.000 0.823 563 S CB 1.901 65.056 63.200 -0.075 0.000 1.162 563 S HN 0.085 nan 8.310 nan 0.000 0.487 564 K N 0.759 120.792 120.400 -0.613 0.000 2.366 564 K HA 0.214 4.531 4.320 -0.004 0.000 0.198 564 K C 0.409 176.914 176.600 -0.160 0.000 1.044 564 K CA 0.474 56.478 56.287 -0.471 0.000 0.973 564 K CB -0.248 31.922 32.500 -0.550 0.000 0.767 564 K HN 0.574 nan 8.250 nan 0.000 0.475 565 E N 0.703 120.829 120.200 -0.124 0.000 2.468 565 E HA -0.139 4.208 4.350 -0.004 0.000 0.263 565 E C 0.659 177.250 176.600 -0.016 0.000 1.192 565 E CA 0.285 56.650 56.400 -0.058 0.000 1.016 565 E CB 0.376 30.051 29.700 -0.043 0.000 0.980 565 E HN 0.204 nan 8.360 nan 0.000 0.467 566 E N -0.057 120.136 120.200 -0.011 0.000 2.364 566 E HA -0.022 4.326 4.350 -0.004 0.000 0.196 566 E C -0.190 176.406 176.600 -0.006 0.000 0.990 566 E CA 0.152 56.549 56.400 -0.005 0.000 0.886 566 E CB 0.485 30.178 29.700 -0.011 0.000 0.866 566 E HN 0.409 nan 8.360 nan 0.000 0.493 567 S N -0.587 115.113 115.700 0.000 0.000 2.638 567 S HA 0.669 5.137 4.470 -0.004 0.000 0.274 567 S C -0.702 173.907 174.600 0.015 0.000 1.157 567 S CA -1.122 57.086 58.200 0.013 0.000 0.826 567 S CB 2.103 65.312 63.200 0.014 0.000 1.139 567 S HN 0.252 nan 8.310 nan 0.000 0.474 568 R N -0.021 120.494 120.500 0.026 0.000 2.781 568 R HA 0.694 5.032 4.340 -0.004 0.000 0.269 568 R C -1.541 174.769 176.300 0.017 0.000 1.025 568 R CA -1.199 54.911 56.100 0.017 0.000 0.914 568 R CB 0.665 30.975 30.300 0.017 0.000 1.236 568 R HN 0.560 nan 8.270 nan 0.000 0.465 569 L N 1.580 122.804 121.223 0.002 0.000 2.305 569 L HA 0.448 4.786 4.340 -0.004 0.000 0.281 569 L C -0.614 176.235 176.870 -0.034 0.000 1.085 569 L CA -1.001 53.831 54.840 -0.012 0.000 0.813 569 L CB 1.662 43.711 42.059 -0.015 0.000 1.157 569 L HN 0.338 nan 8.230 nan 0.000 0.436 570 V N 2.163 122.039 119.914 -0.065 0.000 2.448 570 V HA 0.286 4.404 4.120 -0.004 0.000 0.295 570 V C 0.124 176.093 176.094 -0.209 0.000 1.025 570 V CA -0.537 61.680 62.300 -0.140 0.000 0.859 570 V CB 1.887 33.601 31.823 -0.182 0.000 0.988 570 V HN 0.723 nan 8.190 nan 0.000 0.431 571 T N 6.957 121.381 114.554 -0.216 0.000 2.743 571 T HA 0.566 4.914 4.350 -0.004 0.000 0.293 571 T C -0.213 174.255 174.700 -0.386 0.000 0.945 571 T CA -0.111 61.850 62.100 -0.232 0.000 1.030 571 T CB 0.305 69.080 68.868 -0.155 0.000 0.912 571 T HN 0.337 nan 8.240 nan 0.000 0.483 572 L N 6.282 127.245 121.223 -0.434 0.000 2.295 572 L HA 0.436 4.774 4.340 -0.004 0.000 0.285 572 L C -2.164 174.419 176.870 -0.478 0.000 1.035 572 L CA -2.380 52.051 54.840 -0.682 0.000 0.806 572 L CB 1.504 43.143 42.059 -0.700 0.000 1.214 572 L HN 0.335 nan 8.230 nan 0.000 0.426 573 P HA 0.117 nan 4.420 nan 0.000 0.277 573 P C -0.637 176.599 177.300 -0.108 0.000 1.276 573 P CA -0.732 62.057 63.100 -0.518 0.000 0.788 573 P CB 0.454 31.328 31.700 -1.375 0.000 1.114 574 R N 0.241 120.669 120.500 -0.120 0.000 2.698 574 R HA 0.369 4.707 4.340 -0.004 0.000 0.266 574 R C 0.377 176.800 176.300 0.205 0.000 1.026 574 R CA 1.436 57.591 56.100 0.091 0.000 1.102 574 R CB -0.872 29.505 30.300 0.128 0.000 0.978 574 R HN 0.798 nan 8.270 nan 0.000 0.436 575 G N 1.979 110.870 108.800 0.150 0.000 2.525 575 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.685 575 G HA3 -0.164 3.793 3.960 -0.004 0.000 0.685 575 G C -1.418 173.463 174.900 -0.031 0.000 1.290 575 G CA -0.750 44.364 45.100 0.024 0.000 0.915 575 G HN 0.566 nan 8.290 nan 0.000 0.548 576 K N -0.744 119.536 120.400 -0.199 0.000 2.110 576 K HA 0.593 4.911 4.320 -0.004 0.000 0.263 576 K C -1.075 175.338 176.600 -0.310 0.000 0.975 576 K CA -0.351 55.892 56.287 -0.073 0.000 0.895 576 K CB 1.406 33.936 32.500 0.051 0.000 1.060 576 K HN 0.451 nan 8.250 nan 0.000 0.448 577 W N 1.810 123.255 121.300 0.243 0.000 2.785 577 W HA 0.247 4.906 4.660 -0.003 0.000 0.333 577 W C -0.890 175.867 176.519 0.396 0.000 1.062 577 W CA -0.721 56.819 57.345 0.324 0.000 1.233 577 W CB 0.839 30.414 29.460 0.192 0.000 1.413 577 W HN 0.431 nan 8.180 nan 0.000 0.489 578 Y N 4.096 124.686 120.300 0.483 0.000 2.335 578 Y HA 0.339 4.888 4.550 -0.002 0.000 0.339 578 Y C 0.165 176.208 175.900 0.238 0.000 0.987 578 Y CA -0.952 57.264 58.100 0.194 0.000 1.140 578 Y CB 0.649 39.017 38.460 -0.154 0.000 1.173 578 Y HN 0.389 nan 8.280 nan 0.000 0.486 579 N N 5.632 124.141 118.700 -0.318 0.000 2.416 579 N HA -0.108 4.630 4.740 -0.004 0.000 0.265 579 N C 0.630 175.663 175.510 -0.796 0.000 1.195 579 N CA 0.376 53.172 53.050 -0.424 0.000 0.943 579 N CB 0.128 38.486 38.487 -0.215 0.000 1.115 579 N HN 0.952 nan 8.380 nan 0.000 0.481 580 Y N 4.552 124.447 120.300 -0.676 0.000 2.207 580 Y HA -0.176 4.372 4.550 -0.004 0.000 0.287 580 Y C 0.971 176.468 175.900 -0.670 0.000 1.156 580 Y CA 1.821 59.535 58.100 -0.643 0.000 1.182 580 Y CB -0.054 38.034 38.460 -0.619 0.000 0.979 580 Y HN 0.647 nan 8.280 nan 0.000 0.521 581 W N 0.006 121.088 121.300 -0.363 0.000 2.539 581 W HA -0.020 4.639 4.660 -0.002 0.000 0.281 581 W C 1.846 178.188 176.519 -0.294 0.000 1.220 581 W CA 0.897 58.025 57.345 -0.362 0.000 1.332 581 W CB -0.298 28.981 29.460 -0.303 0.000 1.095 581 W HN 0.258 nan 8.180 nan 0.000 0.571 582 N N -0.972 117.683 118.700 -0.075 0.000 2.171 582 N HA 0.213 4.950 4.740 -0.004 0.000 0.212 582 N C 1.325 176.736 175.510 -0.165 0.000 1.184 582 N CA 0.693 53.696 53.050 -0.078 0.000 0.888 582 N CB 0.359 38.839 38.487 -0.011 0.000 1.038 582 N HN 0.080 nan 8.380 nan 0.000 0.517 583 G N 0.077 108.664 108.800 -0.354 0.000 2.176 583 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.253 583 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.253 583 G C -0.251 174.523 174.900 -0.211 0.000 0.979 583 G CA 0.293 45.185 45.100 -0.348 0.000 0.641 583 G HN 0.684 nan 8.290 nan 0.000 0.530 584 E N 0.318 120.419 120.200 -0.165 0.000 2.392 584 E HA 0.465 4.813 4.350 -0.004 0.000 0.264 584 E C 0.131 176.754 176.600 0.039 0.000 1.024 584 E CA -0.450 55.935 56.400 -0.025 0.000 0.903 584 E CB 0.241 29.954 29.700 0.021 0.000 0.963 584 E HN 0.364 nan 8.360 nan 0.000 0.432 585 I N 5.525 126.165 120.570 0.116 0.000 2.362 585 I HA 0.263 4.431 4.170 -0.004 0.000 0.289 585 I C -0.717 175.515 176.117 0.192 0.000 0.994 585 I CA -0.804 60.615 61.300 0.198 0.000 1.158 585 I CB 1.067 39.181 38.000 0.190 0.000 1.315 585 I HN 0.452 nan 8.210 nan 0.000 0.451 586 I N 6.012 126.731 120.570 0.248 0.000 2.562 586 I HA 0.325 4.493 4.170 -0.004 0.000 0.301 586 I C 0.212 176.471 176.117 0.236 0.000 1.003 586 I CA -0.581 60.842 61.300 0.205 0.000 1.127 586 I CB 1.048 39.153 38.000 0.174 0.000 1.304 586 I HN 0.416 nan 8.210 nan 0.000 0.446 587 N N 2.681 121.483 118.700 0.169 0.000 2.488 587 N HA 0.283 5.021 4.740 -0.004 0.000 0.274 587 N C 0.178 175.796 175.510 0.181 0.000 1.111 587 N CA -0.033 53.114 53.050 0.162 0.000 0.974 587 N CB 1.563 40.113 38.487 0.106 0.000 1.089 587 N HN 0.885 nan 8.380 nan 0.000 0.465 588 G N 0.778 109.724 108.800 0.243 0.000 2.732 588 G HA2 0.061 4.018 3.960 -0.004 0.000 0.244 588 G HA3 0.061 4.018 3.960 -0.004 0.000 0.244 588 G C 0.236 175.190 174.900 0.089 0.000 1.226 588 G CA 0.191 45.434 45.100 0.238 0.000 0.860 588 G HN 0.635 nan 8.290 nan 0.000 0.583 589 K N -1.436 118.974 120.400 0.016 0.000 3.549 589 K HA -0.152 4.166 4.320 -0.004 0.000 0.275 589 K C 0.005 176.596 176.600 -0.015 0.000 1.060 589 K CA 1.013 57.292 56.287 -0.014 0.000 0.812 589 K CB -1.648 30.864 32.500 0.021 0.000 1.374 589 K HN 1.636 nan 8.250 nan 0.000 0.455 590 S N -1.924 113.744 115.700 -0.052 0.000 2.611 590 S HA 0.773 5.241 4.470 -0.004 0.000 0.268 590 S C -0.801 173.747 174.600 -0.087 0.000 1.156 590 S CA -0.581 57.592 58.200 -0.044 0.000 0.817 590 S CB 2.203 65.393 63.200 -0.016 0.000 1.122 590 S HN 0.272 nan 8.310 nan 0.000 0.466 591 V N 1.579 121.455 119.914 -0.063 0.000 2.487 591 V HA 0.818 4.936 4.120 -0.004 0.000 0.298 591 V C -0.148 175.913 176.094 -0.055 0.000 1.028 591 V CA -0.261 61.994 62.300 -0.075 0.000 0.860 591 V CB 1.155 32.949 31.823 -0.049 0.000 0.991 591 V HN 1.271 nan 8.190 nan 0.000 0.427 592 V N 1.910 121.780 119.914 -0.072 0.000 3.102 592 V HA 0.700 4.818 4.120 -0.004 0.000 0.312 592 V C -0.558 175.535 176.094 -0.001 0.000 1.135 592 V CA -1.165 61.120 62.300 -0.026 0.000 1.022 592 V CB 2.054 33.869 31.823 -0.014 0.000 1.056 592 V HN 0.788 nan 8.190 nan 0.000 0.436 593 K N 1.780 122.200 120.400 0.034 0.000 2.172 593 K HA 0.536 4.853 4.320 -0.004 0.000 0.276 593 K C 0.359 177.018 176.600 0.098 0.000 1.013 593 K CA -0.050 56.265 56.287 0.048 0.000 0.913 593 K CB 1.304 33.826 32.500 0.037 0.000 1.055 593 K HN 1.143 nan 8.250 nan 0.000 0.461 594 S N 1.741 117.506 115.700 0.108 0.000 2.572 594 S HA 0.003 4.470 4.470 -0.004 0.000 0.279 594 S C 0.940 175.609 174.600 0.114 0.000 1.341 594 S CA -0.056 58.240 58.200 0.161 0.000 1.043 594 S CB 1.156 64.439 63.200 0.138 0.000 0.887 594 S HN 0.777 nan 8.310 nan 0.000 0.516 595 T N -1.925 112.707 114.554 0.131 0.000 3.001 595 T HA 0.233 4.580 4.350 -0.004 0.000 0.251 595 T C 0.243 174.985 174.700 0.070 0.000 1.040 595 T CA 0.170 62.324 62.100 0.090 0.000 0.985 595 T CB -0.398 68.529 68.868 0.098 0.000 1.011 595 T HN 0.866 nan 8.240 nan 0.000 0.509 596 H N -0.124 118.911 119.070 -0.058 0.000 2.864 596 H HA 0.520 5.075 4.556 -0.003 0.000 0.354 596 H C 0.753 175.991 175.328 -0.150 0.000 1.208 596 H CA -0.637 55.278 56.048 -0.220 0.000 1.191 596 H CB 1.811 31.244 29.762 -0.548 0.000 1.889 596 H HN -0.081 nan 8.280 nan 0.000 0.574 597 E N 0.851 120.619 120.200 -0.721 0.000 2.208 597 E HA 0.012 4.359 4.350 -0.004 0.000 0.193 597 E C -0.109 176.508 176.600 0.029 0.000 0.988 597 E CA 0.706 56.928 56.400 -0.296 0.000 0.828 597 E CB 0.296 29.776 29.700 -0.366 0.000 0.763 597 E HN 0.328 nan 8.360 nan 0.000 0.478 598 L N 1.965 123.358 121.223 0.285 0.000 2.387 598 L HA 0.319 4.657 4.340 -0.004 0.000 0.259 598 L C -2.515 174.730 176.870 0.625 0.000 1.050 598 L CA -2.100 53.052 54.840 0.520 0.000 0.922 598 L CB 1.072 43.454 42.059 0.539 0.000 1.280 598 L HN -0.306 nan 8.230 nan 0.000 0.449 599 P HA 0.141 nan 4.420 nan 0.000 0.263 599 P C -0.503 177.038 177.300 0.401 0.000 1.345 599 P CA 0.642 63.963 63.100 0.369 0.000 1.119 599 P CB 0.059 31.949 31.700 0.317 0.000 1.363 600 I N 4.281 124.963 120.570 0.187 0.000 2.433 600 I HA 0.384 4.552 4.170 -0.004 0.000 0.292 600 I C -0.376 175.590 176.117 -0.251 0.000 1.001 600 I CA -0.863 60.477 61.300 0.067 0.000 1.119 600 I CB 1.366 39.319 38.000 -0.078 0.000 1.289 600 I HN 0.192 nan 8.210 nan 0.000 0.438 601 Y N 5.630 126.023 120.300 0.156 0.000 2.442 601 Y HA 0.566 5.114 4.550 -0.005 0.000 0.344 601 Y C -0.481 175.663 175.900 0.407 0.000 0.976 601 Y CA -0.811 57.451 58.100 0.270 0.000 1.040 601 Y CB 1.714 40.332 38.460 0.263 0.000 1.228 601 Y HN 0.257 nan 8.280 nan 0.000 0.451 602 L N 3.586 125.172 121.223 0.605 0.000 2.295 602 L HA 0.563 4.900 4.340 -0.004 0.000 0.285 602 L C 0.227 177.393 176.870 0.494 0.000 1.035 602 L CA -0.873 54.275 54.840 0.512 0.000 0.806 602 L CB 1.578 43.911 42.059 0.457 0.000 1.214 602 L HN 0.597 nan 8.230 nan 0.000 0.426 603 R N 2.284 122.882 120.500 0.162 0.000 2.490 603 R HA 0.079 4.417 4.340 -0.004 0.000 0.280 603 R C 0.050 176.076 176.300 -0.457 0.000 1.077 603 R CA -0.434 55.388 56.100 -0.463 0.000 1.065 603 R CB 0.776 30.819 30.300 -0.428 0.000 1.003 603 R HN 0.608 nan 8.270 nan 0.000 0.470 604 E N 2.341 122.104 120.200 -0.729 0.000 2.406 604 E HA 0.084 4.432 4.350 -0.004 0.000 0.258 604 E C -0.387 175.774 176.600 -0.732 0.000 1.043 604 E CA 0.803 56.483 56.400 -1.200 0.000 0.929 604 E CB 0.201 29.421 29.700 -0.800 0.000 0.969 604 E HN 0.864 nan 8.360 nan 0.000 0.462 605 G N 3.224 111.583 108.800 -0.735 0.000 2.797 605 G HA2 -0.138 3.820 3.960 -0.004 0.000 0.192 605 G HA3 -0.138 3.820 3.960 -0.004 0.000 0.192 605 G C -0.562 173.993 174.900 -0.575 0.000 1.101 605 G CA -0.156 44.669 45.100 -0.458 0.000 0.930 605 G HN 0.462 nan 8.290 nan 0.000 0.512 606 S N -0.586 114.707 115.700 -0.678 0.000 2.548 606 S HA 0.845 5.313 4.470 -0.004 0.000 0.286 606 S C -0.249 173.877 174.600 -0.790 0.000 1.098 606 S CA -0.681 56.868 58.200 -1.085 0.000 0.930 606 S CB 2.146 65.014 63.200 -0.554 0.000 1.070 606 S HN 0.542 nan 8.310 nan 0.000 0.480 607 I N 2.684 122.678 120.570 -0.961 0.000 2.500 607 I HA 0.453 4.621 4.170 -0.004 0.000 0.286 607 I C -1.373 174.404 176.117 -0.567 0.000 1.063 607 I CA -0.301 60.696 61.300 -0.505 0.000 1.062 607 I CB 1.393 39.222 38.000 -0.284 0.000 1.223 607 I HN 0.463 nan 8.210 nan 0.000 0.435 608 I N 8.381 128.704 120.570 -0.411 0.000 2.439 608 I HA 0.353 4.521 4.170 -0.004 0.000 0.283 608 I C -2.436 173.565 176.117 -0.193 0.000 1.023 608 I CA -1.840 59.187 61.300 -0.455 0.000 1.100 608 I CB 2.315 40.032 38.000 -0.472 0.000 1.238 608 I HN 0.222 nan 8.210 nan 0.000 0.445 609 P HA 0.359 nan 4.420 nan 0.000 0.286 609 P C -1.028 176.319 177.300 0.078 0.000 1.269 609 P CA -0.161 63.008 63.100 0.114 0.000 0.787 609 P CB 1.505 33.389 31.700 0.306 0.000 0.920 610 L N 1.079 122.306 121.223 0.007 0.000 2.286 610 L HA 0.464 4.802 4.340 -0.004 0.000 0.265 610 L C 0.997 177.886 176.870 0.031 0.000 1.012 610 L CA -1.269 53.524 54.840 -0.078 0.000 0.818 610 L CB 1.341 43.264 42.059 -0.228 0.000 1.337 610 L HN 0.375 nan 8.230 nan 0.000 0.438 611 E N 0.426 120.640 120.200 0.023 0.000 2.467 611 E HA 0.106 4.453 4.350 -0.004 0.000 0.264 611 E C 0.671 177.313 176.600 0.071 0.000 1.020 611 E CA 0.885 57.334 56.400 0.080 0.000 0.945 611 E CB 0.403 30.151 29.700 0.080 0.000 0.942 611 E HN 0.776 nan 8.360 nan 0.000 0.449 612 G N 4.222 113.080 108.800 0.096 0.000 2.246 612 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.273 612 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.273 612 G C 0.155 175.132 174.900 0.130 0.000 1.055 612 G CA 0.264 45.422 45.100 0.097 0.000 0.851 612 G HN 0.879 nan 8.290 nan 0.000 0.500 613 D N -1.098 119.391 120.400 0.147 0.000 3.039 613 D HA -0.152 4.485 4.640 -0.004 0.000 0.222 613 D C 0.693 177.052 176.300 0.097 0.000 1.179 613 D CA 1.850 55.947 54.000 0.161 0.000 0.880 613 D CB -0.654 40.315 40.800 0.281 0.000 1.115 613 D HN 0.854 nan 8.370 nan 0.000 0.416 614 E N -0.504 119.734 120.200 0.062 0.000 2.392 614 E HA 0.425 4.773 4.350 -0.004 0.000 0.256 614 E C -0.121 176.488 176.600 0.016 0.000 1.145 614 E CA -0.248 56.162 56.400 0.017 0.000 0.929 614 E CB 0.941 30.631 29.700 -0.017 0.000 0.998 614 E HN 0.042 nan 8.360 nan 0.000 0.442 615 L N 2.644 123.865 121.223 -0.004 0.000 2.526 615 L HA 0.424 4.762 4.340 -0.004 0.000 0.263 615 L C -1.597 175.249 176.870 -0.040 0.000 0.943 615 L CA -0.090 54.748 54.840 -0.003 0.000 0.859 615 L CB 1.621 43.712 42.059 0.054 0.000 1.313 615 L HN 0.421 nan 8.230 nan 0.000 0.406 616 I N 5.111 125.634 120.570 -0.077 0.000 2.406 616 I HA 0.621 4.789 4.170 -0.004 0.000 0.290 616 I C -0.909 175.132 176.117 -0.127 0.000 0.999 616 I CA -0.933 60.312 61.300 -0.093 0.000 1.124 616 I CB 1.928 39.884 38.000 -0.074 0.000 1.289 616 I HN 0.216 nan 8.210 nan 0.000 0.441 617 V N 6.578 126.422 119.914 -0.116 0.000 2.588 617 V HA 0.382 4.499 4.120 -0.004 0.000 0.304 617 V C -1.360 174.688 176.094 -0.076 0.000 1.042 617 V CA -0.740 61.486 62.300 -0.123 0.000 0.877 617 V CB 2.119 33.885 31.823 -0.096 0.000 0.996 617 V HN 0.528 nan 8.190 nan 0.000 0.425 618 Y N 3.985 124.120 120.300 -0.275 0.000 2.344 618 Y HA 0.685 5.233 4.550 -0.004 0.000 0.328 618 Y C 0.182 175.941 175.900 -0.235 0.000 1.067 618 Y CA -0.140 57.797 58.100 -0.270 0.000 1.247 618 Y CB 1.164 39.433 38.460 -0.319 0.000 1.113 618 Y HN 1.118 nan 8.280 nan 0.000 0.465 619 G N 4.658 113.413 108.800 -0.075 0.000 2.615 619 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.218 619 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.218 619 G C -1.130 173.652 174.900 -0.197 0.000 1.339 619 G CA -0.418 44.538 45.100 -0.240 0.000 0.884 619 G HN 0.646 nan 8.290 nan 0.000 0.559 620 E N -0.185 119.899 120.200 -0.193 0.000 2.166 620 E HA 0.671 5.019 4.350 -0.004 0.000 0.275 620 E C 0.058 176.572 176.600 -0.144 0.000 0.941 620 E CA -0.006 56.308 56.400 -0.143 0.000 0.784 620 E CB 2.084 31.724 29.700 -0.100 0.000 1.115 620 E HN 0.739 nan 8.360 nan 0.000 0.399 621 T N 0.757 115.241 114.554 -0.117 0.000 2.663 621 T HA 0.322 4.670 4.350 -0.004 0.000 0.305 621 T C -1.775 172.920 174.700 -0.008 0.000 1.660 621 T CA -0.584 61.483 62.100 -0.055 0.000 0.976 621 T CB 1.586 70.391 68.868 -0.104 0.000 1.705 621 T HN 0.273 nan 8.240 nan 0.000 0.494 622 S N 0.742 116.497 115.700 0.091 0.000 2.538 622 S HA 0.838 5.306 4.470 -0.004 0.000 0.288 622 S C -1.891 172.872 174.600 0.272 0.000 1.108 622 S CA -0.558 57.705 58.200 0.105 0.000 0.971 622 S CB 0.888 64.121 63.200 0.054 0.000 1.041 622 S HN 0.613 nan 8.310 nan 0.000 0.483 623 F N 3.686 123.669 119.950 0.054 0.000 2.581 623 F HA 0.572 5.097 4.527 -0.003 0.000 0.311 623 F C -0.896 174.936 175.800 0.053 0.000 1.113 623 F CA -0.705 57.367 58.000 0.120 0.000 0.935 623 F CB 1.593 40.721 39.000 0.213 0.000 1.232 623 F HN 0.546 nan 8.300 nan 0.000 0.445 624 K N 6.158 126.080 120.400 -0.797 0.000 2.293 624 K HA 0.425 4.742 4.320 -0.004 0.000 0.267 624 K C -0.311 175.746 176.600 -0.905 0.000 1.010 624 K CA -0.692 55.225 56.287 -0.617 0.000 0.875 624 K CB 0.986 33.263 32.500 -0.372 0.000 1.106 624 K HN 0.875 nan 8.250 nan 0.000 0.450 625 R N 2.608 122.830 120.500 -0.464 0.000 2.615 625 R HA 0.008 4.346 4.340 -0.004 0.000 0.270 625 R C 0.982 177.159 176.300 -0.205 0.000 1.081 625 R CA -0.009 55.953 56.100 -0.231 0.000 1.154 625 R CB 0.322 30.578 30.300 -0.073 0.000 1.063 625 R HN 0.732 nan 8.270 nan 0.000 0.519 626 Y N 0.420 120.697 120.300 -0.038 0.000 2.315 626 Y HA -0.143 4.405 4.550 -0.004 0.000 0.288 626 Y C 1.019 176.913 175.900 -0.010 0.000 1.154 626 Y CA 1.286 59.340 58.100 -0.077 0.000 1.229 626 Y CB -0.318 38.136 38.460 -0.011 0.000 0.980 626 Y HN 0.617 nan 8.280 nan 0.000 0.540 627 D N -0.040 120.088 120.400 -0.454 0.000 2.325 627 D HA -0.036 4.601 4.640 -0.004 0.000 0.234 627 D C 0.861 177.097 176.300 -0.107 0.000 1.122 627 D CA 0.611 54.483 54.000 -0.212 0.000 0.850 627 D CB -0.845 39.752 40.800 -0.338 0.000 0.921 627 D HN 0.657 nan 8.370 nan 0.000 0.513 628 N N -0.134 118.501 118.700 -0.108 0.000 2.967 628 N HA -0.239 4.499 4.740 -0.004 0.000 0.212 628 N C -0.292 175.171 175.510 -0.079 0.000 0.884 628 N CA 0.938 53.940 53.050 -0.081 0.000 1.030 628 N CB -1.628 36.837 38.487 -0.038 0.000 1.018 628 N HN 0.332 nan 8.380 nan 0.000 0.596 629 A N 1.523 124.295 122.820 -0.080 0.000 2.491 629 A HA 0.366 4.684 4.320 -0.004 0.000 0.261 629 A C 0.139 177.695 177.584 -0.047 0.000 1.101 629 A CA 0.275 52.297 52.037 -0.026 0.000 0.772 629 A CB 0.053 19.065 19.000 0.019 0.000 1.043 629 A HN 0.420 nan 8.150 nan 0.000 0.501 630 E N 1.802 121.980 120.200 -0.037 0.000 2.197 630 E HA 0.523 4.871 4.350 -0.004 0.000 0.281 630 E C -0.861 175.686 176.600 -0.088 0.000 0.995 630 E CA -0.128 56.231 56.400 -0.068 0.000 0.808 630 E CB 1.518 31.181 29.700 -0.062 0.000 1.093 630 E HN 0.634 nan 8.360 nan 0.000 0.394 631 I N 2.009 122.515 120.570 -0.107 0.000 2.509 631 I HA 0.341 4.509 4.170 -0.004 0.000 0.293 631 I C -0.429 175.583 176.117 -0.175 0.000 1.020 631 I CA -0.602 60.529 61.300 -0.280 0.000 1.088 631 I CB 2.174 40.013 38.000 -0.269 0.000 1.267 631 I HN 0.387 nan 8.210 nan 0.000 0.430 632 T N 3.150 117.558 114.554 -0.244 0.000 2.886 632 T HA 0.460 4.808 4.350 -0.004 0.000 0.292 632 T C -0.515 174.094 174.700 -0.153 0.000 1.012 632 T CA -0.778 61.240 62.100 -0.138 0.000 0.982 632 T CB 1.732 70.546 68.868 -0.089 0.000 1.018 632 T HN 0.680 nan 8.240 nan 0.000 0.451 633 S N 1.483 117.113 115.700 -0.117 0.000 2.500 633 S HA 0.887 5.355 4.470 -0.004 0.000 0.301 633 S C 0.012 174.563 174.600 -0.082 0.000 1.092 633 S CA -0.582 57.554 58.200 -0.107 0.000 1.030 633 S CB 1.694 64.821 63.200 -0.122 0.000 1.031 633 S HN 0.864 nan 8.310 nan 0.000 0.483 634 S N 2.016 117.678 115.700 -0.064 0.000 3.331 634 S HA 0.610 5.078 4.470 -0.004 0.000 0.316 634 S C 1.280 175.853 174.600 -0.045 0.000 1.104 634 S CA -0.007 58.162 58.200 -0.052 0.000 0.977 634 S CB -0.041 63.135 63.200 -0.040 0.000 1.370 634 S HN 1.406 nan 8.310 nan 0.000 0.731 635 S N 2.703 118.382 115.700 -0.036 0.000 2.355 635 S HA -0.253 4.215 4.470 -0.004 0.000 0.318 635 S C 0.612 175.194 174.600 -0.031 0.000 1.057 635 S CA 1.836 60.017 58.200 -0.031 0.000 1.684 635 S CB -1.310 61.875 63.200 -0.024 0.000 1.408 635 S HN 0.789 nan 8.310 nan 0.000 0.465 636 N N 1.854 120.537 118.700 -0.028 0.000 2.588 636 N HA 0.396 5.134 4.740 -0.004 0.000 0.298 636 N C -1.055 174.443 175.510 -0.020 0.000 1.718 636 N CA -0.026 53.007 53.050 -0.028 0.000 0.888 636 N CB 1.090 39.559 38.487 -0.030 0.000 1.389 636 N HN 0.747 nan 8.380 nan 0.000 0.491 637 E N 0.845 121.033 120.200 -0.020 0.000 2.308 637 E HA 0.444 4.792 4.350 -0.004 0.000 0.275 637 E C -1.214 175.374 176.600 -0.019 0.000 0.890 637 E CA -0.481 55.914 56.400 -0.008 0.000 0.754 637 E CB 1.861 31.558 29.700 -0.005 0.000 1.207 637 E HN 0.065 nan 8.360 nan 0.000 0.426 638 I N 4.414 124.989 120.570 0.008 0.000 2.390 638 I HA 0.309 4.477 4.170 -0.004 0.000 0.283 638 I C -0.352 175.754 176.117 -0.018 0.000 1.016 638 I CA -0.656 60.614 61.300 -0.049 0.000 1.151 638 I CB 1.309 39.305 38.000 -0.007 0.000 1.293 638 I HN 0.248 nan 8.210 nan 0.000 0.458 639 K N 5.532 125.863 120.400 -0.115 0.000 2.118 639 K HA 0.632 4.950 4.320 -0.004 0.000 0.267 639 K C -1.218 175.253 176.600 -0.215 0.000 0.991 639 K CA -0.453 55.823 56.287 -0.018 0.000 0.916 639 K CB 1.414 33.906 32.500 -0.013 0.000 1.041 639 K HN 0.217 nan 8.250 nan 0.000 0.455 640 F N 0.335 120.283 119.950 -0.003 0.000 2.507 640 F HA 0.109 4.634 4.527 -0.004 0.000 0.325 640 F C 1.397 177.194 175.800 -0.004 0.000 1.116 640 F CA -0.845 57.154 58.000 -0.001 0.000 0.930 640 F CB 1.944 40.942 39.000 -0.004 0.000 1.146 640 F HN 0.620 nan 8.300 nan 0.000 0.447 641 S N 2.463 118.235 115.700 0.119 0.000 2.469 641 S HA -0.034 4.434 4.470 -0.004 0.000 0.238 641 S C 0.489 175.137 174.600 0.079 0.000 0.998 641 S CA 0.527 58.768 58.200 0.068 0.000 0.957 641 S CB -0.323 62.891 63.200 0.024 0.000 0.764 641 S HN 0.769 nan 8.310 nan 0.000 0.514 642 R N -0.235 120.336 120.500 0.119 0.000 2.712 642 R HA 0.387 4.725 4.340 -0.004 0.000 0.272 642 R C -1.426 174.919 176.300 0.075 0.000 1.032 642 R CA -0.929 55.218 56.100 0.078 0.000 0.874 642 R CB 0.518 30.847 30.300 0.049 0.000 1.256 642 R HN 0.137 nan 8.270 nan 0.000 0.468 643 E N 2.454 122.669 120.200 0.025 0.000 2.480 643 E HA 0.174 4.522 4.350 -0.004 0.000 0.258 643 E C -0.452 176.142 176.600 -0.010 0.000 0.984 643 E CA -0.068 56.321 56.400 -0.019 0.000 0.930 643 E CB 0.400 30.090 29.700 -0.015 0.000 0.936 643 E HN 0.435 nan 8.360 nan 0.000 0.466 644 I N 1.550 122.081 120.570 -0.064 0.000 2.894 644 I HA 0.375 4.543 4.170 -0.004 0.000 0.302 644 I C -1.287 174.811 176.117 -0.032 0.000 1.188 644 I CA -1.320 59.976 61.300 -0.006 0.000 1.014 644 I CB 1.295 39.328 38.000 0.055 0.000 1.242 644 I HN 0.438 nan 8.210 nan 0.000 0.430 645 Y N 4.470 124.733 120.300 -0.063 0.000 2.336 645 Y HA 0.647 5.195 4.550 -0.004 0.000 0.331 645 Y C -0.772 175.098 175.900 -0.050 0.000 1.211 645 Y CA 0.101 58.164 58.100 -0.061 0.000 1.346 645 Y CB 1.290 39.734 38.460 -0.027 0.000 1.271 645 Y HN 0.443 nan 8.280 nan 0.000 0.538 646 V N 6.484 125.989 119.914 -0.682 0.000 2.567 646 V HA 0.171 4.289 4.120 -0.004 0.000 0.298 646 V C 0.091 175.837 176.094 -0.580 0.000 1.047 646 V CA 0.005 62.058 62.300 -0.411 0.000 0.880 646 V CB 1.162 32.822 31.823 -0.272 0.000 1.009 646 V HN 0.994 nan 8.190 nan 0.000 0.429 647 S N 4.180 119.725 115.700 -0.259 0.000 2.288 647 S HA 0.166 4.633 4.470 -0.004 0.000 0.191 647 S C 0.719 175.264 174.600 -0.092 0.000 1.028 647 S CA 0.279 58.404 58.200 -0.126 0.000 1.030 647 S CB 0.040 63.297 63.200 0.094 0.000 0.932 647 S HN 0.600 nan 8.310 nan 0.000 0.463 648 K N 0.856 121.234 120.400 -0.037 0.000 2.213 648 K HA 0.530 4.848 4.320 -0.004 0.000 0.270 648 K C -1.619 174.961 176.600 -0.032 0.000 1.002 648 K CA -0.812 55.455 56.287 -0.033 0.000 0.868 648 K CB 1.081 33.570 32.500 -0.019 0.000 1.093 648 K HN 0.362 nan 8.250 nan 0.000 0.454 649 L N 3.634 124.838 121.223 -0.031 0.000 2.313 649 L HA 0.451 4.789 4.340 -0.004 0.000 0.283 649 L C -1.197 175.659 176.870 -0.023 0.000 1.013 649 L CA 0.226 55.054 54.840 -0.020 0.000 0.816 649 L CB 1.932 43.986 42.059 -0.008 0.000 1.236 649 L HN 0.608 nan 8.230 nan 0.000 0.419 650 T N 6.635 121.167 114.554 -0.036 0.000 2.779 650 T HA 0.613 4.961 4.350 -0.004 0.000 0.280 650 T C -0.234 174.425 174.700 -0.069 0.000 0.987 650 T CA -0.094 61.974 62.100 -0.053 0.000 0.966 650 T CB 0.737 69.557 68.868 -0.079 0.000 0.933 650 T HN 0.437 nan 8.240 nan 0.000 0.442 651 I N 3.486 124.030 120.570 -0.043 0.000 2.389 651 I HA 0.353 4.521 4.170 -0.004 0.000 0.288 651 I C 0.640 176.700 176.117 -0.095 0.000 0.999 651 I CA -0.828 60.445 61.300 -0.046 0.000 1.129 651 I CB 1.888 39.902 38.000 0.023 0.000 1.288 651 I HN 0.613 nan 8.210 nan 0.000 0.444 652 T N 2.147 116.529 114.554 -0.286 0.000 2.795 652 T HA 0.648 4.996 4.350 -0.004 0.000 0.282 652 T C -0.396 174.148 174.700 -0.261 0.000 0.980 652 T CA -0.568 61.215 62.100 -0.529 0.000 1.012 652 T CB 1.630 69.621 68.868 -1.462 0.000 0.936 652 T HN 0.551 nan 8.240 nan 0.000 0.457 653 S N 1.609 117.264 115.700 -0.075 0.000 2.542 653 S HA 0.296 4.764 4.470 -0.004 0.000 0.276 653 S C 0.393 175.068 174.600 0.125 0.000 1.148 653 S CA -0.707 57.535 58.200 0.070 0.000 0.886 653 S CB 1.723 64.994 63.200 0.118 0.000 1.109 653 S HN 0.826 nan 8.310 nan 0.000 0.458 654 E N 1.551 121.813 120.200 0.104 0.000 2.216 654 E HA 0.058 4.406 4.350 -0.004 0.000 0.192 654 E C -0.102 176.561 176.600 0.105 0.000 0.988 654 E CA 0.615 57.075 56.400 0.101 0.000 0.834 654 E CB 0.178 29.933 29.700 0.091 0.000 0.772 654 E HN 0.401 nan 8.360 nan 0.000 0.479 655 K N 2.329 122.779 120.400 0.084 0.000 2.156 655 K HA 0.222 4.540 4.320 -0.004 0.000 0.271 655 K C -2.411 174.192 176.600 0.005 0.000 0.995 655 K CA -2.078 54.233 56.287 0.040 0.000 0.890 655 K CB 1.023 33.526 32.500 0.006 0.000 1.073 655 K HN -0.080 nan 8.250 nan 0.000 0.454 656 P HA -0.019 nan 4.420 nan 0.000 0.267 656 P C -0.660 176.355 177.300 -0.475 0.000 1.200 656 P CA -0.174 62.786 63.100 -0.233 0.000 0.772 656 P CB 0.663 32.316 31.700 -0.079 0.000 0.855 657 V N 2.632 121.949 119.914 -0.996 0.000 2.376 657 V HA 0.101 4.219 4.120 -0.004 0.000 0.287 657 V C 1.539 177.351 176.094 -0.469 0.000 1.015 657 V CA -0.015 61.892 62.300 -0.655 0.000 0.834 657 V CB 0.935 32.360 31.823 -0.663 0.000 1.001 657 V HN 0.713 nan 8.190 nan 0.000 0.428 658 S N 3.702 119.255 115.700 -0.245 0.000 2.439 658 S HA 0.156 4.624 4.470 -0.004 0.000 0.224 658 S C 0.523 175.066 174.600 -0.096 0.000 1.029 658 S CA 0.195 58.311 58.200 -0.139 0.000 0.946 658 S CB 0.047 63.191 63.200 -0.093 0.000 0.797 658 S HN 0.843 nan 8.310 nan 0.000 0.504 659 K N 0.395 120.737 120.400 -0.097 0.000 2.607 659 K HA 0.646 4.964 4.320 -0.004 0.000 0.287 659 K C -1.404 175.159 176.600 -0.061 0.000 0.996 659 K CA -1.213 55.036 56.287 -0.064 0.000 0.876 659 K CB 1.122 33.594 32.500 -0.047 0.000 1.496 659 K HN 0.300 nan 8.250 nan 0.000 0.415 660 I N -1.424 119.120 120.570 -0.044 0.000 2.740 660 I HA 0.649 4.816 4.170 -0.004 0.000 0.303 660 I C -1.053 175.046 176.117 -0.030 0.000 1.044 660 I CA -1.397 59.882 61.300 -0.035 0.000 1.064 660 I CB 1.885 39.868 38.000 -0.027 0.000 1.249 660 I HN 0.572 nan 8.210 nan 0.000 0.433 661 I N 4.601 125.156 120.570 -0.024 0.000 2.439 661 I HA 0.330 4.498 4.170 -0.004 0.000 0.285 661 I C -0.632 175.472 176.117 -0.022 0.000 1.021 661 I CA -1.001 60.285 61.300 -0.024 0.000 1.091 661 I CB 2.048 40.036 38.000 -0.020 0.000 1.242 661 I HN 0.326 nan 8.210 nan 0.000 0.439 662 V N 5.899 125.792 119.914 -0.035 0.000 2.389 662 V HA 0.103 4.221 4.120 -0.004 0.000 0.264 662 V C 0.332 176.401 176.094 -0.040 0.000 1.049 662 V CA -0.102 62.170 62.300 -0.048 0.000 0.932 662 V CB 0.417 32.196 31.823 -0.073 0.000 1.011 662 V HN 0.856 nan 8.190 nan 0.000 0.475 663 D N 4.031 124.412 120.400 -0.031 0.000 2.751 663 D HA -0.212 4.425 4.640 -0.004 0.000 0.233 663 D C 0.740 177.031 176.300 -0.016 0.000 1.149 663 D CA 1.196 55.183 54.000 -0.022 0.000 0.682 663 D CB -0.637 40.143 40.800 -0.035 0.000 1.068 663 D HN 0.994 nan 8.370 nan 0.000 0.429 664 D N -3.176 117.217 120.400 -0.013 0.000 2.495 664 D HA -0.253 4.385 4.640 -0.004 0.000 0.175 664 D C 1.405 177.696 176.300 -0.015 0.000 1.040 664 D CA 2.016 56.009 54.000 -0.012 0.000 1.049 664 D CB -1.393 39.402 40.800 -0.008 0.000 1.105 664 D HN 0.558 nan 8.370 nan 0.000 0.457 665 S N -0.062 115.627 115.700 -0.018 0.000 2.583 665 S HA 0.119 4.587 4.470 -0.004 0.000 0.203 665 S C 0.809 175.396 174.600 -0.021 0.000 0.952 665 S CA 0.375 58.564 58.200 -0.018 0.000 0.887 665 S CB 0.588 63.777 63.200 -0.018 0.000 0.857 665 S HN 0.105 nan 8.310 nan 0.000 0.611 666 K N 2.965 123.349 120.400 -0.026 0.000 2.401 666 K HA 0.199 4.517 4.320 -0.004 0.000 0.278 666 K C -0.847 175.735 176.600 -0.030 0.000 1.018 666 K CA 0.410 56.681 56.287 -0.028 0.000 0.981 666 K CB 0.247 32.727 32.500 -0.033 0.000 0.933 666 K HN 0.459 nan 8.250 nan 0.000 0.477 667 E N 4.341 124.525 120.200 -0.027 0.000 2.158 667 E HA 0.292 4.640 4.350 -0.004 0.000 0.271 667 E C -0.487 176.096 176.600 -0.028 0.000 0.911 667 E CA -0.845 55.538 56.400 -0.027 0.000 0.767 667 E CB 1.249 30.934 29.700 -0.024 0.000 1.120 667 E HN 0.393 nan 8.360 nan 0.000 0.405 668 I N 2.490 123.041 120.570 -0.031 0.000 2.412 668 I HA 0.156 4.324 4.170 -0.004 0.000 0.296 668 I C 0.227 176.329 176.117 -0.024 0.000 0.987 668 I CA -0.943 60.340 61.300 -0.030 0.000 1.180 668 I CB 1.419 39.396 38.000 -0.038 0.000 1.340 668 I HN 0.488 nan 8.210 nan 0.000 0.455 669 Q N 3.722 123.512 119.800 -0.018 0.000 2.255 669 Q HA 0.183 4.521 4.340 -0.004 0.000 0.280 669 Q C -0.761 175.237 176.000 -0.005 0.000 1.068 669 Q CA 0.386 56.182 55.803 -0.011 0.000 0.911 669 Q CB 0.545 29.278 28.738 -0.007 0.000 1.157 669 Q HN 0.419 nan 8.270 nan 0.000 0.380 670 V N 4.055 123.969 119.914 -0.000 0.000 2.539 670 V HA 0.409 4.526 4.120 -0.004 0.000 0.292 670 V C -0.183 175.942 176.094 0.050 0.000 1.045 670 V CA -0.564 61.749 62.300 0.021 0.000 0.945 670 V CB 1.702 33.525 31.823 -0.001 0.000 0.993 670 V HN 0.802 nan 8.190 nan 0.000 0.464 671 E N 2.946 123.194 120.200 0.081 0.000 2.246 671 E HA 0.406 4.754 4.350 -0.004 0.000 0.266 671 E C -0.870 175.794 176.600 0.108 0.000 0.880 671 E CA -0.940 55.507 56.400 0.079 0.000 0.762 671 E CB 1.537 31.257 29.700 0.032 0.000 1.180 671 E HN 0.612 nan 8.360 nan 0.000 0.416 672 K N 2.987 123.461 120.400 0.123 0.000 2.338 672 K HA 0.095 4.413 4.320 -0.004 0.000 0.290 672 K C 0.604 177.160 176.600 -0.073 0.000 1.069 672 K CA 0.464 56.748 56.287 -0.006 0.000 0.941 672 K CB 0.585 33.119 32.500 0.058 0.000 1.023 672 K HN 0.576 nan 8.250 nan 0.000 0.477 673 T N 1.699 116.176 114.554 -0.129 0.000 3.044 673 T HA 0.137 4.484 4.350 -0.004 0.000 0.255 673 T C 0.803 175.441 174.700 -0.104 0.000 1.073 673 T CA 0.511 62.555 62.100 -0.093 0.000 1.125 673 T CB -0.418 68.397 68.868 -0.088 0.000 0.908 673 T HN 0.712 nan 8.240 nan 0.000 0.480 674 M N -0.161 119.346 119.600 -0.155 0.000 3.012 674 M HA 0.367 4.845 4.480 -0.004 0.000 0.272 674 M C -1.719 174.477 176.300 -0.174 0.000 1.187 674 M CA -1.320 53.903 55.300 -0.128 0.000 0.813 674 M CB 1.582 34.121 32.600 -0.101 0.000 1.626 674 M HN 0.037 nan 8.290 nan 0.000 0.507 675 Q N 1.399 121.130 119.800 -0.114 0.000 2.304 675 Q HA 0.099 4.437 4.340 -0.004 0.000 0.315 675 Q C -0.478 175.447 176.000 -0.124 0.000 1.075 675 Q CA 0.830 56.572 55.803 -0.103 0.000 0.988 675 Q CB -0.171 28.541 28.738 -0.044 0.000 1.146 675 Q HN 0.811 nan 8.270 nan 0.000 0.383 676 N N 0.436 119.032 118.700 -0.173 0.000 2.815 676 N HA -0.149 4.589 4.740 -0.004 0.000 0.247 676 N C -1.042 174.265 175.510 -0.339 0.000 1.030 676 N CA 1.719 54.672 53.050 -0.161 0.000 0.881 676 N CB -1.495 36.989 38.487 -0.005 0.000 1.134 676 N HN 0.760 nan 8.380 nan 0.000 0.582 677 T N 1.073 115.310 114.554 -0.528 0.000 2.791 677 T HA 0.529 4.877 4.350 -0.004 0.000 0.288 677 T C -0.533 173.756 174.700 -0.684 0.000 0.999 677 T CA -0.363 61.466 62.100 -0.452 0.000 0.952 677 T CB 0.758 69.510 68.868 -0.193 0.000 0.938 677 T HN 0.026 nan 8.240 nan 0.000 0.444 678 Y N 1.427 121.680 120.300 -0.078 0.000 2.364 678 Y HA 0.613 5.161 4.550 -0.003 0.000 0.340 678 Y C -0.087 175.774 175.900 -0.065 0.000 0.975 678 Y CA -1.158 56.905 58.100 -0.062 0.000 1.089 678 Y CB 1.424 39.849 38.460 -0.059 0.000 1.192 678 Y HN 0.329 nan 8.280 nan 0.000 0.454 679 V N 2.664 122.624 119.914 0.075 0.000 2.628 679 V HA 0.881 4.999 4.120 -0.004 0.000 0.306 679 V C -0.492 175.617 176.094 0.024 0.000 1.045 679 V CA -0.942 61.371 62.300 0.022 0.000 0.905 679 V CB 1.684 33.499 31.823 -0.012 0.000 0.997 679 V HN 0.850 nan 8.190 nan 0.000 0.436 680 A N 4.147 126.969 122.820 0.003 0.000 2.357 680 A HA 0.673 4.991 4.320 -0.004 0.000 0.295 680 A C -0.378 177.191 177.584 -0.025 0.000 1.121 680 A CA -0.798 51.234 52.037 -0.008 0.000 0.742 680 A CB 0.984 19.976 19.000 -0.012 0.000 1.181 680 A HN 0.617 nan 8.150 nan 0.000 0.454 681 K N 4.224 124.609 120.400 -0.024 0.000 2.171 681 K HA 0.250 4.568 4.320 -0.004 0.000 0.274 681 K C 0.501 177.070 176.600 -0.051 0.000 1.110 681 K CA 0.016 56.284 56.287 -0.031 0.000 0.952 681 K CB 0.425 32.915 32.500 -0.017 0.000 1.309 681 K HN 0.741 nan 8.250 nan 0.000 0.414 682 I N 0.931 121.450 120.570 -0.084 0.000 2.296 682 I HA -0.220 3.948 4.170 -0.004 0.000 0.242 682 I C 0.145 176.166 176.117 -0.160 0.000 1.087 682 I CA 0.191 61.416 61.300 -0.125 0.000 1.393 682 I CB -0.140 37.760 38.000 -0.166 0.000 1.093 682 I HN 0.586 nan 8.210 nan 0.000 0.421 683 N N 3.279 121.846 118.700 -0.222 0.000 2.686 683 N HA -0.216 4.521 4.740 -0.004 0.000 0.261 683 N C -0.429 174.951 175.510 -0.217 0.000 1.001 683 N CA 0.979 53.907 53.050 -0.204 0.000 0.764 683 N CB -1.108 37.398 38.487 0.030 0.000 0.898 683 N HN 0.729 nan 8.380 nan 0.000 0.544 684 Q N -2.319 117.136 119.800 -0.574 0.000 2.721 684 Q HA 0.357 4.695 4.340 -0.004 0.000 0.282 684 Q C -1.400 174.408 176.000 -0.321 0.000 0.932 684 Q CA -1.106 54.560 55.803 -0.227 0.000 0.816 684 Q CB 1.302 29.982 28.738 -0.096 0.000 1.506 684 Q HN 0.007 nan 8.270 nan 0.000 0.399 685 K N 1.104 121.488 120.400 -0.027 0.000 2.295 685 K HA 0.408 4.726 4.320 -0.004 0.000 0.270 685 K C -0.523 175.983 176.600 -0.157 0.000 1.011 685 K CA 0.048 56.307 56.287 -0.046 0.000 0.953 685 K CB 0.531 33.059 32.500 0.046 0.000 0.956 685 K HN 0.430 nan 8.250 nan 0.000 0.477 686 I N 3.232 123.658 120.570 -0.241 0.000 2.410 686 I HA 0.193 4.361 4.170 -0.004 0.000 0.286 686 I C 1.246 177.216 176.117 -0.245 0.000 1.009 686 I CA -0.626 60.487 61.300 -0.312 0.000 1.111 686 I CB 1.655 39.300 38.000 -0.592 0.000 1.262 686 I HN 0.565 nan 8.210 nan 0.000 0.443 687 R N 3.872 124.288 120.500 -0.140 0.000 2.097 687 R HA -0.100 4.237 4.340 -0.004 0.000 0.236 687 R C 1.415 177.688 176.300 -0.046 0.000 1.135 687 R CA 1.821 57.877 56.100 -0.073 0.000 0.934 687 R CB -0.112 30.163 30.300 -0.041 0.000 0.846 687 R HN 0.884 nan 8.270 nan 0.000 0.431 688 G N -0.334 108.448 108.800 -0.031 0.000 3.668 688 G HA2 0.072 4.030 3.960 -0.004 0.000 0.185 688 G HA3 0.072 4.030 3.960 -0.004 0.000 0.185 688 G C -0.468 174.548 174.900 0.194 0.000 1.159 688 G CA -0.146 45.003 45.100 0.082 0.000 0.875 688 G HN 0.277 nan 8.290 nan 0.000 0.689 689 K N -0.456 120.016 120.400 0.119 0.000 2.607 689 K HA 0.726 5.044 4.320 -0.004 0.000 0.287 689 K C -2.089 174.580 176.600 0.114 0.000 0.996 689 K CA -0.942 55.464 56.287 0.198 0.000 0.876 689 K CB 1.259 33.830 32.500 0.119 0.000 1.496 689 K HN -0.011 nan 8.250 nan 0.000 0.415 690 I N 1.325 121.989 120.570 0.155 0.000 2.619 690 I HA 0.328 4.496 4.170 -0.004 0.000 0.292 690 I C -1.392 174.757 176.117 0.053 0.000 1.100 690 I CA -1.016 60.336 61.300 0.086 0.000 1.043 690 I CB 2.424 40.497 38.000 0.122 0.000 1.239 690 I HN 0.640 nan 8.210 nan 0.000 0.420 691 N N 4.916 123.627 118.700 0.018 0.000 2.370 691 N HA 0.721 5.459 4.740 -0.004 0.000 0.303 691 N C -1.454 174.047 175.510 -0.015 0.000 1.103 691 N CA -0.560 52.491 53.050 0.001 0.000 0.848 691 N CB 1.836 40.320 38.487 -0.005 0.000 1.235 691 N HN 0.259 nan 8.380 nan 0.000 0.496 692 L N 1.107 122.314 121.223 -0.026 0.000 2.334 692 L HA 0.549 4.887 4.340 -0.004 0.000 0.276 692 L C 0.217 177.054 176.870 -0.055 0.000 1.014 692 L CA -0.274 54.538 54.840 -0.046 0.000 0.815 692 L CB 1.347 43.374 42.059 -0.053 0.000 1.268 692 L HN 0.590 nan 8.230 nan 0.000 0.428 693 E N 0.000 120.156 120.200 -0.073 0.000 2.725 693 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 693 E CA 0.000 56.356 56.400 -0.072 0.000 0.976 693 E CB 0.000 29.667 29.700 -0.055 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440