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 1ffu_1_B DATA FIRST_RESID 7 DATA SEQUENCE DAEARELALA GMGASRLRKE DARFIQGKGN YVDDIKMPGM LHMDIVRAPI DATA SEQUENCE AHGRIKKIHK DAALAMPGVH AVLTAEDLKP LKLHWMPTLA GDVAAVLADE DATA SEQUENCE KVHFQMQEVA IVIADDRYIA ADAVEAVKVE YDELPVVIDP IDALKPDAPV DATA SEQUENCE LREDLAGKTS GAHGPREHHN HIFTWGAGDK AATDAVFANA PVTVSQHMYY DATA SEQUENCE PRVHPCPLET CGCVASFDPI KGDLTTYITS QAPHVVRTVV SMLSGIPESK DATA SEQUENCE VRIVSPDIGG GFGNKVGIYP GYVCAIVASI VLGRPVKWVE DRVENISTTA DATA SEQUENCE FARDYHMDGE LAATPDGKIL GLRVNVVADH GAFDACADPT KFPAGLFHIC DATA SEQUENCE SGSYDIPRAH CSVKGVYTNK APGGVAYXXS FRVTEAVYLI ERMVDVLAQK DATA SEQUENCE LNMDKAEIRA KNFIRKEQFP YTTQFGFEYD SGDYHTALKK VLDAVDYPAL DATA SEQUENCE RAEQAARRAD PNSPTLMGIG LVTFTEVVGA GPSKMCDILG VGMFDSCEIR DATA SEQUENCE IHPTGSAIAR MGTITQGQGH QTTYAQIIAT ELGIPSEVIQ VEEGDTSTAP DATA SEQUENCE YGLGTYGSRS TPVAGAAIAL AARKIHAKAR KIAAHMLEVN ENDLDWEVDR DATA SEQUENCE FKVKGDDSKF KTMADIAWQA YHQPPAGLEP GLEAVHYYDP PNFTYPFGIY DATA SEQUENCE LCVVDIDRAT GETKVRRFYA LDDCGTRINP MIIEGQIHGG LTEGYAVAMG DATA SEQUENCE QQMPFDAQGN LLGNTLMDYF LPTAVETPHW ETDHTVTPSP HHPIGAKGVA DATA SEQUENCE ESPHVGSIPT FTAAVVDAFA HVGVTHLDMP HTSYRVWKSL KEHNLAL 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.250 176.300 -0.084 0.000 2.045 7 D CA 0.000 53.961 54.000 -0.065 0.000 0.868 7 D CB 0.000 40.757 40.800 -0.072 0.000 0.688 8 A N 1.004 123.766 122.820 -0.097 0.000 1.978 8 A HA -0.149 4.171 4.320 0.000 0.000 0.220 8 A C 1.854 179.383 177.584 -0.092 0.000 1.170 8 A CA 1.884 53.850 52.037 -0.118 0.000 0.636 8 A CB -0.576 18.351 19.000 -0.122 0.000 0.810 8 A HN 0.461 nan 8.150 nan 0.000 0.448 9 E N -0.367 119.793 120.200 -0.067 0.000 2.106 9 E HA -0.072 4.278 4.350 0.000 0.000 0.192 9 E C 2.325 178.897 176.600 -0.046 0.000 0.984 9 E CA 0.809 57.179 56.400 -0.050 0.000 0.806 9 E CB -0.258 29.421 29.700 -0.036 0.000 0.750 9 E HN 0.631 nan 8.360 nan 0.000 0.458 10 A N 1.527 124.318 122.820 -0.048 0.000 1.902 10 A HA -0.172 4.148 4.320 0.000 0.000 0.217 10 A C 2.073 179.629 177.584 -0.047 0.000 1.181 10 A CA 1.131 53.143 52.037 -0.042 0.000 0.623 10 A CB -0.334 18.641 19.000 -0.040 0.000 0.818 10 A HN 0.057 nan 8.150 nan 0.000 0.443 11 R N -0.788 119.673 120.500 -0.066 0.000 2.096 11 R HA -0.146 4.194 4.340 0.000 0.000 0.235 11 R C 2.278 178.542 176.300 -0.059 0.000 1.127 11 R CA 1.540 57.595 56.100 -0.074 0.000 0.968 11 R CB -0.223 30.006 30.300 -0.118 0.000 0.861 11 R HN 0.789 nan 8.270 nan 0.000 0.440 12 E N 0.783 120.948 120.200 -0.058 0.000 2.106 12 E HA -0.166 4.184 4.350 0.000 0.000 0.192 12 E C 1.980 178.568 176.600 -0.021 0.000 0.984 12 E CA 0.697 57.075 56.400 -0.038 0.000 0.806 12 E CB 0.039 29.717 29.700 -0.037 0.000 0.750 12 E HN 0.271 nan 8.360 nan 0.000 0.458 13 L N 0.244 121.454 121.223 -0.023 0.000 2.056 13 L HA -0.111 4.229 4.340 0.000 0.000 0.207 13 L C 2.450 179.313 176.870 -0.011 0.000 1.078 13 L CA 1.133 55.964 54.840 -0.015 0.000 0.749 13 L CB -0.341 41.708 42.059 -0.016 0.000 0.901 13 L HN 0.238 nan 8.230 nan 0.000 0.433 14 A N -0.244 122.566 122.820 -0.015 0.000 2.076 14 A HA -0.193 4.127 4.320 0.000 0.000 0.220 14 A C 2.116 179.699 177.584 -0.003 0.000 1.160 14 A CA 1.279 53.310 52.037 -0.011 0.000 0.653 14 A CB -0.587 18.403 19.000 -0.017 0.000 0.801 14 A HN 0.490 nan 8.150 nan 0.000 0.455 15 L N -1.708 119.515 121.223 -0.001 0.000 2.156 15 L HA 0.028 4.368 4.340 0.000 0.000 0.208 15 L C 1.673 178.551 176.870 0.013 0.000 1.095 15 L CA 0.517 55.364 54.840 0.012 0.000 0.770 15 L CB -0.601 41.469 42.059 0.019 0.000 0.914 15 L HN 0.555 nan 8.230 nan 0.000 0.439 16 A N 0.397 123.221 122.820 0.007 0.000 2.667 16 A HA -0.105 4.215 4.320 0.000 0.000 0.298 16 A C 0.796 178.386 177.584 0.010 0.000 1.483 16 A CA 0.535 52.576 52.037 0.006 0.000 0.738 16 A CB -2.056 16.949 19.000 0.007 0.000 1.067 16 A HN 0.499 nan 8.150 nan 0.000 0.451 17 G N -0.332 108.473 108.800 0.010 0.000 3.134 17 G HA2 0.594 4.554 3.960 0.000 0.000 0.158 17 G HA3 0.594 4.554 3.960 0.000 0.000 0.158 17 G C 0.440 175.341 174.900 0.003 0.000 1.334 17 G CA -0.483 44.623 45.100 0.011 0.000 1.001 17 G HN 0.479 nan 8.290 nan 0.000 0.600 18 M N 1.135 120.734 119.600 -0.000 0.000 2.286 18 M HA 0.172 4.652 4.480 0.000 0.000 0.365 18 M C 1.579 177.872 176.300 -0.013 0.000 1.443 18 M CA 1.453 56.747 55.300 -0.010 0.000 0.951 18 M CB -0.330 32.262 32.600 -0.013 0.000 1.961 18 M HN 1.332 nan 8.290 nan 0.000 0.468 19 G N 2.249 111.036 108.800 -0.022 0.000 2.253 19 G HA2 -0.201 3.759 3.960 0.000 0.000 0.251 19 G HA3 -0.201 3.759 3.960 0.000 0.000 0.251 19 G C 0.335 175.221 174.900 -0.023 0.000 0.998 19 G CA 0.227 45.312 45.100 -0.025 0.000 0.621 19 G HN 1.106 nan 8.290 nan 0.000 0.524 20 A N 0.289 123.099 122.820 -0.016 0.000 2.371 20 A HA 0.695 5.015 4.320 0.000 0.000 0.257 20 A C 0.940 178.514 177.584 -0.017 0.000 1.089 20 A CA 0.940 52.969 52.037 -0.013 0.000 0.794 20 A CB 0.662 19.658 19.000 -0.006 0.000 1.029 20 A HN 0.917 nan 8.150 nan 0.000 0.488 21 S N 1.187 116.877 115.700 -0.016 0.000 3.149 21 S HA 0.164 4.634 4.470 0.000 0.000 0.228 21 S C 0.566 175.161 174.600 -0.009 0.000 1.393 21 S CA -0.412 57.778 58.200 -0.018 0.000 1.224 21 S CB -0.787 62.402 63.200 -0.018 0.000 1.112 21 S HN 0.750 nan 8.310 nan 0.000 0.502 22 R N 0.628 121.124 120.500 -0.006 0.000 2.643 22 R HA 0.355 4.695 4.340 0.000 0.000 0.270 22 R C -0.218 176.083 176.300 0.002 0.000 1.061 22 R CA -0.490 55.610 56.100 -0.000 0.000 1.107 22 R CB 0.186 30.487 30.300 0.002 0.000 0.999 22 R HN 0.200 nan 8.270 nan 0.000 0.460 23 L N 2.296 123.522 121.223 0.005 0.000 2.473 23 L HA 0.193 4.533 4.340 0.000 0.000 0.268 23 L C 0.882 177.759 176.870 0.011 0.000 1.215 23 L CA -0.392 54.454 54.840 0.009 0.000 0.823 23 L CB 0.201 42.267 42.059 0.011 0.000 1.099 23 L HN 0.614 nan 8.230 nan 0.000 0.483 24 R N 1.445 121.955 120.500 0.017 0.000 2.543 24 R HA 0.086 4.426 4.340 0.000 0.000 0.277 24 R C 0.638 176.945 176.300 0.013 0.000 1.074 24 R CA -0.382 55.729 56.100 0.019 0.000 1.076 24 R CB 0.781 31.102 30.300 0.036 0.000 0.993 24 R HN 0.538 nan 8.270 nan 0.000 0.459 25 K N 1.718 122.121 120.400 0.004 0.000 2.228 25 K HA -0.096 4.224 4.320 0.000 0.000 0.202 25 K C 1.445 178.024 176.600 -0.036 0.000 1.051 25 K CA 0.934 57.214 56.287 -0.012 0.000 0.960 25 K CB 0.268 32.762 32.500 -0.010 0.000 0.743 25 K HN 0.605 nan 8.250 nan 0.000 0.458 26 E N 0.939 121.126 120.200 -0.021 0.000 2.481 26 E HA -0.128 4.222 4.350 0.000 0.000 0.195 26 E C 0.436 176.996 176.600 -0.067 0.000 1.047 26 E CA 0.762 57.118 56.400 -0.073 0.000 0.867 26 E CB 0.035 29.748 29.700 0.023 0.000 0.858 26 E HN 0.166 nan 8.360 nan 0.000 0.513 27 D N 2.227 122.650 120.400 0.037 0.000 2.144 27 D HA -0.061 4.579 4.640 0.000 0.000 0.199 27 D C 1.973 178.284 176.300 0.020 0.000 0.984 27 D CA 1.814 55.870 54.000 0.093 0.000 0.834 27 D CB -0.303 40.545 40.800 0.081 0.000 0.955 27 D HN 0.306 nan 8.370 nan 0.000 0.465 28 A N 1.737 124.532 122.820 -0.041 0.000 1.881 28 A HA -0.326 3.994 4.320 0.000 0.000 0.219 28 A C 2.162 179.696 177.584 -0.084 0.000 1.215 28 A CA 2.877 54.882 52.037 -0.053 0.000 0.648 28 A CB -0.813 18.149 19.000 -0.064 0.000 0.832 28 A HN 0.419 nan 8.150 nan 0.000 0.455 29 R N -2.177 118.200 120.500 -0.204 0.000 2.075 29 R HA -0.067 4.273 4.340 0.000 0.000 0.232 29 R C 1.808 178.020 176.300 -0.147 0.000 1.126 29 R CA 1.783 57.735 56.100 -0.246 0.000 0.963 29 R CB -0.738 29.313 30.300 -0.416 0.000 0.858 29 R HN 0.374 nan 8.270 nan 0.000 0.435 30 F N 2.589 122.542 119.950 0.005 0.000 2.146 30 F HA 0.005 4.532 4.527 0.000 0.000 0.298 30 F C 2.340 178.165 175.800 0.042 0.000 1.096 30 F CA 0.656 58.680 58.000 0.039 0.000 1.275 30 F CB -0.555 38.473 39.000 0.047 0.000 1.008 30 F HN 0.050 nan 8.300 nan 0.000 0.480 31 I N -1.772 118.917 120.570 0.198 0.000 3.334 31 I HA -0.104 4.066 4.170 0.000 0.000 0.282 31 I C 0.966 177.131 176.117 0.080 0.000 1.313 31 I CA 1.185 62.557 61.300 0.120 0.000 1.396 31 I CB -0.549 37.501 38.000 0.084 0.000 1.054 31 I HN 0.226 nan 8.210 nan 0.000 0.495 32 Q N 1.222 121.065 119.800 0.072 0.000 2.149 32 Q HA 0.287 4.627 4.340 0.000 0.000 0.221 32 Q C 1.110 177.143 176.000 0.056 0.000 0.807 32 Q CA 0.339 56.169 55.803 0.046 0.000 1.000 32 Q CB 1.332 30.080 28.738 0.017 0.000 1.157 32 Q HN 0.701 nan 8.270 nan 0.000 0.487 33 G N 1.843 110.702 108.800 0.099 0.000 2.179 33 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 33 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 33 G C 0.545 175.504 174.900 0.098 0.000 1.010 33 G CA 0.241 45.410 45.100 0.116 0.000 0.736 33 G HN 0.078 nan 8.290 nan 0.000 0.513 34 K N 0.493 120.929 120.400 0.061 0.000 2.498 34 K HA 0.291 4.611 4.320 0.000 0.000 0.207 34 K C 1.454 178.025 176.600 -0.048 0.000 1.033 34 K CA 0.360 56.647 56.287 0.000 0.000 1.138 34 K CB 0.514 32.988 32.500 -0.042 0.000 0.860 34 K HN 0.486 nan 8.250 nan 0.000 0.490 35 G N 1.173 110.004 108.800 0.052 0.000 2.606 35 G HA2 0.032 3.992 3.960 0.000 0.000 0.252 35 G HA3 0.032 3.992 3.960 0.000 0.000 0.252 35 G C -0.335 174.521 174.900 -0.074 0.000 1.206 35 G CA -0.299 44.782 45.100 -0.032 0.000 0.861 35 G HN 0.156 nan 8.290 nan 0.000 0.561 36 N N -0.349 118.210 118.700 -0.235 0.000 2.776 36 N HA 0.337 5.077 4.740 0.000 0.000 0.245 36 N C -1.323 174.072 175.510 -0.191 0.000 1.121 36 N CA -0.509 52.453 53.050 -0.146 0.000 0.852 36 N CB 0.271 38.684 38.487 -0.124 0.000 1.142 36 N HN 0.401 nan 8.380 nan 0.000 0.514 37 Y N 0.638 120.964 120.300 0.044 0.000 2.432 37 Y HA 0.233 4.783 4.550 0.000 0.000 0.322 37 Y C 1.741 177.641 175.900 -0.000 0.000 1.246 37 Y CA -0.944 57.173 58.100 0.028 0.000 1.268 37 Y CB 0.723 39.195 38.460 0.021 0.000 1.276 37 Y HN 0.010 nan 8.280 nan 0.000 0.499 38 V N 0.524 120.547 119.914 0.181 0.000 2.250 38 V HA -0.333 3.787 4.120 0.000 0.000 0.250 38 V C 1.652 177.784 176.094 0.063 0.000 1.060 38 V CA 2.536 64.893 62.300 0.095 0.000 1.030 38 V CB -0.383 31.494 31.823 0.090 0.000 0.643 38 V HN 0.858 nan 8.190 nan 0.000 0.445 39 D N -0.586 119.853 120.400 0.065 0.000 2.378 39 D HA -0.121 4.519 4.640 0.000 0.000 0.222 39 D C 1.562 177.896 176.300 0.055 0.000 0.980 39 D CA 0.583 54.610 54.000 0.046 0.000 0.907 39 D CB -0.171 40.640 40.800 0.019 0.000 0.899 39 D HN 0.461 nan 8.370 nan 0.000 0.527 40 D N -0.494 119.950 120.400 0.073 0.000 2.323 40 D HA 0.023 4.663 4.640 0.000 0.000 0.209 40 D C 0.651 176.956 176.300 0.009 0.000 0.973 40 D CA 0.104 54.139 54.000 0.059 0.000 0.874 40 D CB 0.337 41.195 40.800 0.097 0.000 0.930 40 D HN 0.350 nan 8.370 nan 0.000 0.521 41 I N 1.329 121.885 120.570 -0.023 0.000 2.556 41 I HA 0.052 4.222 4.170 0.000 0.000 0.284 41 I C 0.430 176.523 176.117 -0.040 0.000 1.114 41 I CA 0.334 61.582 61.300 -0.086 0.000 1.418 41 I CB 0.498 38.383 38.000 -0.190 0.000 1.394 41 I HN -0.415 nan 8.210 nan 0.000 0.552 42 K N 7.770 128.143 120.400 -0.045 0.000 2.541 42 K HA 0.626 4.946 4.320 0.000 0.000 0.250 42 K C -1.129 175.460 176.600 -0.018 0.000 0.950 42 K CA -0.586 55.696 56.287 -0.009 0.000 0.805 42 K CB 2.371 34.874 32.500 0.005 0.000 1.166 42 K HN 0.510 nan 8.250 nan 0.000 0.430 43 M N 2.285 121.888 119.600 0.004 0.000 2.664 43 M HA 0.426 4.906 4.480 0.000 0.000 0.314 43 M C -2.443 173.870 176.300 0.022 0.000 1.200 43 M CA -2.287 53.020 55.300 0.012 0.000 0.916 43 M CB 1.771 34.392 32.600 0.034 0.000 1.717 43 M HN 0.203 nan 8.290 nan 0.000 0.470 44 P HA 0.123 nan 4.420 nan 0.000 0.262 44 P C 0.573 177.888 177.300 0.026 0.000 1.199 44 P CA 0.870 63.982 63.100 0.021 0.000 0.763 44 P CB 0.278 31.989 31.700 0.018 0.000 0.790 45 G N 2.915 111.731 108.800 0.026 0.000 2.148 45 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 45 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 45 G C 0.226 175.137 174.900 0.017 0.000 0.981 45 G CA -0.064 45.051 45.100 0.025 0.000 0.670 45 G HN 0.589 nan 8.290 nan 0.000 0.528 46 M N 0.985 120.600 119.600 0.026 0.000 2.246 46 M HA 0.511 4.991 4.480 0.000 0.000 0.350 46 M C 0.444 176.758 176.300 0.024 0.000 1.406 46 M CA 0.303 55.622 55.300 0.031 0.000 1.089 46 M CB 0.105 32.732 32.600 0.045 0.000 1.782 46 M HN 0.227 nan 8.290 nan 0.000 0.457 47 L N 3.643 124.868 121.223 0.003 0.000 2.376 47 L HA 0.519 4.859 4.340 0.000 0.000 0.267 47 L C -0.052 176.863 176.870 0.076 0.000 1.035 47 L CA -1.037 53.796 54.840 -0.012 0.000 0.800 47 L CB 1.364 43.343 42.059 -0.135 0.000 1.290 47 L HN 0.624 nan 8.230 nan 0.000 0.462 48 H N 1.499 120.582 119.070 0.022 0.000 2.538 48 H HA 0.449 5.005 4.556 -0.000 0.000 0.353 48 H C -1.400 173.982 175.328 0.091 0.000 1.109 48 H CA -0.568 55.524 56.048 0.074 0.000 1.192 48 H CB 2.283 32.091 29.762 0.076 0.000 1.555 48 H HN 0.485 nan 8.280 nan 0.000 0.518 49 M N 3.664 123.338 119.600 0.124 0.000 2.436 49 M HA 0.269 4.749 4.480 0.000 0.000 0.331 49 M C -1.422 175.076 176.300 0.330 0.000 1.135 49 M CA -0.436 54.975 55.300 0.185 0.000 0.987 49 M CB 1.434 34.093 32.600 0.098 0.000 1.687 49 M HN 0.522 nan 8.290 nan 0.000 0.445 50 D N 3.446 123.987 120.400 0.235 0.000 2.645 50 D HA 0.561 5.201 4.640 0.000 0.000 0.228 50 D C -1.546 174.825 176.300 0.118 0.000 1.148 50 D CA -0.279 53.864 54.000 0.240 0.000 0.860 50 D CB 2.074 42.989 40.800 0.191 0.000 1.548 50 D HN 0.626 nan 8.370 nan 0.000 0.460 51 I N 1.463 122.103 120.570 0.116 0.000 2.441 51 I HA 0.318 4.488 4.170 0.000 0.000 0.295 51 I C -0.041 176.100 176.117 0.040 0.000 0.994 51 I CA -1.155 60.165 61.300 0.033 0.000 1.144 51 I CB 2.067 40.062 38.000 -0.009 0.000 1.314 51 I HN 0.034 nan 8.210 nan 0.000 0.445 52 V N 6.843 126.768 119.914 0.019 0.000 2.432 52 V HA 0.352 4.472 4.120 0.000 0.000 0.271 52 V C 0.298 176.405 176.094 0.022 0.000 1.046 52 V CA -0.399 61.919 62.300 0.030 0.000 0.945 52 V CB 0.602 32.443 31.823 0.031 0.000 0.992 52 V HN 0.683 nan 8.190 nan 0.000 0.471 53 R N 3.041 123.556 120.500 0.026 0.000 2.664 53 R HA 0.746 5.086 4.340 0.000 0.000 0.286 53 R C -0.079 176.220 176.300 -0.002 0.000 0.967 53 R CA -0.686 55.414 56.100 0.000 0.000 0.933 53 R CB 1.790 32.090 30.300 -0.001 0.000 1.146 53 R HN 0.783 nan 8.270 nan 0.000 0.468 54 A N 3.502 126.284 122.820 -0.064 0.000 2.520 54 A HA 0.148 4.468 4.320 0.000 0.000 0.245 54 A C -1.580 175.902 177.584 -0.170 0.000 1.072 54 A CA -0.858 51.085 52.037 -0.156 0.000 0.761 54 A CB -0.025 18.827 19.000 -0.247 0.000 1.004 54 A HN 0.594 nan 8.150 nan 0.000 0.499 55 P HA 0.104 nan 4.420 nan 0.000 0.245 55 P C 0.166 177.370 177.300 -0.161 0.000 1.203 55 P CA 0.581 63.598 63.100 -0.139 0.000 0.792 55 P CB -0.216 31.434 31.700 -0.083 0.000 0.997 56 I N -5.522 114.881 120.570 -0.278 0.000 2.957 56 I HA 0.739 4.909 4.170 0.000 0.000 0.310 56 I C 0.978 177.018 176.117 -0.128 0.000 1.063 56 I CA -1.371 59.814 61.300 -0.191 0.000 1.033 56 I CB 1.753 39.606 38.000 -0.245 0.000 1.230 56 I HN -0.401 nan 8.210 nan 0.000 0.447 57 A N 1.283 124.088 122.820 -0.025 0.000 2.072 57 A HA 0.118 4.438 4.320 0.000 0.000 0.216 57 A C 0.683 178.324 177.584 0.096 0.000 1.156 57 A CA 0.938 53.004 52.037 0.049 0.000 0.701 57 A CB -0.335 18.718 19.000 0.088 0.000 0.816 57 A HN 0.882 nan 8.150 nan 0.000 0.458 58 H N -2.253 116.769 119.070 -0.079 0.000 3.137 58 H HA 0.467 5.023 4.556 -0.000 0.000 0.336 58 H C -0.622 174.655 175.328 -0.085 0.000 1.055 58 H CA -0.072 55.923 56.048 -0.088 0.000 1.349 58 H CB 1.172 30.901 29.762 -0.054 0.000 1.939 58 H HN 0.515 nan 8.280 nan 0.000 0.487 59 G N 3.494 112.140 108.800 -0.258 0.000 2.361 59 G HA2 0.150 4.110 3.960 0.000 0.000 0.299 59 G HA3 0.150 4.110 3.960 0.000 0.000 0.299 59 G C -1.602 173.246 174.900 -0.086 0.000 1.544 59 G CA -1.150 43.819 45.100 -0.218 0.000 0.860 59 G HN 0.560 nan 8.290 nan 0.000 0.610 60 R N -0.357 120.115 120.500 -0.046 0.000 2.490 60 R HA 0.502 4.842 4.340 0.000 0.000 0.278 60 R C -0.047 176.301 176.300 0.080 0.000 1.069 60 R CA -0.473 55.632 56.100 0.008 0.000 1.080 60 R CB 1.333 31.622 30.300 -0.018 0.000 1.030 60 R HN 0.385 nan 8.270 nan 0.000 0.491 61 I N 3.304 123.901 120.570 0.045 0.000 2.301 61 I HA 0.042 4.212 4.170 0.000 0.000 0.292 61 I C 1.237 177.296 176.117 -0.096 0.000 1.046 61 I CA -0.069 61.204 61.300 -0.045 0.000 1.282 61 I CB 1.048 39.023 38.000 -0.041 0.000 1.409 61 I HN 0.531 nan 8.210 nan 0.000 0.484 62 K N 4.879 125.192 120.400 -0.145 0.000 2.021 62 K HA 0.072 4.392 4.320 0.000 0.000 0.205 62 K C 0.652 177.167 176.600 -0.143 0.000 1.047 62 K CA 0.946 57.166 56.287 -0.112 0.000 0.943 62 K CB 0.236 32.684 32.500 -0.087 0.000 0.725 62 K HN 0.451 nan 8.250 nan 0.000 0.439 63 K N 0.284 120.557 120.400 -0.212 0.000 2.578 63 K HA 0.335 4.655 4.320 0.000 0.000 0.269 63 K C -1.847 174.545 176.600 -0.347 0.000 0.941 63 K CA -0.395 55.731 56.287 -0.269 0.000 0.847 63 K CB 1.571 33.901 32.500 -0.282 0.000 1.397 63 K HN -0.077 nan 8.250 nan 0.000 0.422 64 I N 3.704 124.058 120.570 -0.359 0.000 2.406 64 I HA 0.304 4.474 4.170 0.000 0.000 0.290 64 I C -0.473 175.427 176.117 -0.362 0.000 0.999 64 I CA -0.896 60.236 61.300 -0.279 0.000 1.124 64 I CB 1.492 39.394 38.000 -0.164 0.000 1.289 64 I HN 0.473 nan 8.210 nan 0.000 0.441 65 H N 6.542 125.575 119.070 -0.062 0.000 2.597 65 H HA 0.280 4.836 4.556 -0.000 0.000 0.303 65 H C -0.161 175.151 175.328 -0.027 0.000 1.057 65 H CA -0.349 55.675 56.048 -0.041 0.000 1.261 65 H CB 1.515 31.255 29.762 -0.037 0.000 1.397 65 H HN 0.566 nan 8.280 nan 0.000 0.461 66 K N 1.299 121.728 120.400 0.049 0.000 2.348 66 K HA 0.009 4.329 4.320 0.000 0.000 0.194 66 K C 0.903 177.525 176.600 0.038 0.000 1.052 66 K CA -0.055 56.251 56.287 0.032 0.000 1.004 66 K CB 0.823 33.325 32.500 0.003 0.000 0.873 66 K HN 0.363 nan 8.250 nan 0.000 0.523 67 D N 2.003 122.431 120.400 0.047 0.000 2.104 67 D HA -0.186 4.454 4.640 0.000 0.000 0.194 67 D C 1.951 178.268 176.300 0.029 0.000 0.994 67 D CA 1.635 55.655 54.000 0.035 0.000 0.830 67 D CB -0.148 40.675 40.800 0.037 0.000 0.959 67 D HN 0.224 nan 8.370 nan 0.000 0.452 68 A N 1.098 123.937 122.820 0.032 0.000 1.933 68 A HA -0.058 4.262 4.320 0.000 0.000 0.218 68 A C 2.329 179.927 177.584 0.024 0.000 1.175 68 A CA 2.316 54.365 52.037 0.020 0.000 0.628 68 A CB -0.607 18.401 19.000 0.013 0.000 0.814 68 A HN 0.261 nan 8.150 nan 0.000 0.444 69 A N -0.576 122.262 122.820 0.031 0.000 1.929 69 A HA 0.079 4.399 4.320 0.000 0.000 0.216 69 A C 2.129 179.733 177.584 0.033 0.000 1.176 69 A CA 1.239 53.297 52.037 0.034 0.000 0.628 69 A CB -0.511 18.512 19.000 0.039 0.000 0.816 69 A HN 0.446 nan 8.150 nan 0.000 0.444 70 L N -0.830 120.410 121.223 0.028 0.000 2.131 70 L HA -0.172 4.168 4.340 0.000 0.000 0.210 70 L C 2.854 179.730 176.870 0.011 0.000 1.092 70 L CA 0.979 55.831 54.840 0.021 0.000 0.759 70 L CB -0.276 41.793 42.059 0.017 0.000 0.903 70 L HN 0.457 nan 8.230 nan 0.000 0.435 71 A N -0.930 121.897 122.820 0.011 0.000 2.123 71 A HA -0.035 4.285 4.320 0.000 0.000 0.214 71 A C 1.368 178.955 177.584 0.005 0.000 1.152 71 A CA -0.120 51.919 52.037 0.004 0.000 0.728 71 A CB -0.237 18.766 19.000 0.005 0.000 0.814 71 A HN 0.329 nan 8.150 nan 0.000 0.464 72 M N 2.664 122.273 119.600 0.014 0.000 2.303 72 M HA 0.130 4.610 4.480 0.000 0.000 0.350 72 M C -2.239 174.071 176.300 0.017 0.000 1.518 72 M CA -1.731 53.581 55.300 0.020 0.000 1.070 72 M CB 0.475 33.094 32.600 0.031 0.000 1.910 72 M HN -0.002 nan 8.290 nan 0.000 0.458 73 P HA 0.073 nan 4.420 nan 0.000 0.263 73 P C 0.458 177.778 177.300 0.032 0.000 1.195 73 P CA 1.025 64.130 63.100 0.009 0.000 0.762 73 P CB 0.643 32.349 31.700 0.009 0.000 0.799 74 G N 1.811 110.629 108.800 0.030 0.000 2.259 74 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 74 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 74 G C -0.122 174.891 174.900 0.188 0.000 1.001 74 G CA -0.218 44.946 45.100 0.106 0.000 0.627 74 G HN 0.523 nan 8.290 nan 0.000 0.501 75 V N 2.016 121.998 119.914 0.112 0.000 2.455 75 V HA 0.517 4.637 4.120 0.000 0.000 0.273 75 V C 1.246 177.406 176.094 0.110 0.000 1.045 75 V CA 0.233 62.626 62.300 0.156 0.000 0.976 75 V CB 1.163 33.039 31.823 0.088 0.000 0.993 75 V HN 0.388 nan 8.190 nan 0.000 0.475 76 H N 2.601 121.697 119.070 0.044 0.000 2.553 76 H HA 0.661 5.217 4.556 -0.000 0.000 0.276 76 H C 0.620 175.968 175.328 0.033 0.000 0.979 76 H CA 0.897 56.968 56.048 0.039 0.000 1.268 76 H CB 0.627 30.416 29.762 0.046 0.000 1.450 76 H HN 0.760 nan 8.280 nan 0.000 0.527 77 A N -0.045 122.871 122.820 0.160 0.000 2.605 77 A HA 0.587 4.907 4.320 0.000 0.000 0.294 77 A C -1.731 175.891 177.584 0.063 0.000 1.062 77 A CA -0.557 51.534 52.037 0.090 0.000 0.682 77 A CB 1.174 20.223 19.000 0.082 0.000 1.278 77 A HN -0.039 nan 8.150 nan 0.000 0.410 78 V N 2.435 122.372 119.914 0.038 0.000 2.462 78 V HA 0.429 4.549 4.120 0.000 0.000 0.288 78 V C -0.600 175.497 176.094 0.004 0.000 1.020 78 V CA -0.145 62.169 62.300 0.023 0.000 0.857 78 V CB 1.057 32.893 31.823 0.021 0.000 1.013 78 V HN 0.740 nan 8.190 nan 0.000 0.431 79 L N 4.458 125.678 121.223 -0.005 0.000 2.331 79 L HA 0.867 5.207 4.340 0.000 0.000 0.275 79 L C 0.533 177.382 176.870 -0.034 0.000 1.022 79 L CA -0.312 54.516 54.840 -0.020 0.000 0.812 79 L CB 2.320 44.366 42.059 -0.023 0.000 1.257 79 L HN 0.761 nan 8.230 nan 0.000 0.435 80 T N -2.308 112.221 114.554 -0.042 0.000 2.831 80 T HA 0.526 4.876 4.350 0.000 0.000 0.287 80 T C 0.866 175.532 174.700 -0.057 0.000 1.070 80 T CA -0.082 61.987 62.100 -0.052 0.000 1.010 80 T CB 1.633 70.467 68.868 -0.057 0.000 1.264 80 T HN 0.527 nan 8.240 nan 0.000 0.532 81 A N 0.177 122.961 122.820 -0.061 0.000 1.986 81 A HA -0.092 4.228 4.320 0.000 0.000 0.220 81 A C 2.151 179.672 177.584 -0.104 0.000 1.171 81 A CA 1.543 53.543 52.037 -0.062 0.000 0.640 81 A CB -1.033 17.938 19.000 -0.047 0.000 0.811 81 A HN 0.835 nan 8.150 nan 0.000 0.451 82 E N 0.581 120.723 120.200 -0.097 0.000 2.160 82 E HA -0.173 4.177 4.350 0.000 0.000 0.195 82 E C 1.179 177.726 176.600 -0.089 0.000 0.991 82 E CA 1.314 57.652 56.400 -0.104 0.000 0.810 82 E CB -0.380 29.273 29.700 -0.078 0.000 0.742 82 E HN 0.664 nan 8.360 nan 0.000 0.466 83 D N -0.240 120.120 120.400 -0.065 0.000 2.317 83 D HA -0.074 4.566 4.640 0.000 0.000 0.211 83 D C 1.572 177.846 176.300 -0.043 0.000 0.966 83 D CA 0.273 54.244 54.000 -0.048 0.000 0.876 83 D CB 0.318 41.097 40.800 -0.036 0.000 0.927 83 D HN 0.106 nan 8.370 nan 0.000 0.519 84 L N 0.871 122.066 121.223 -0.047 0.000 2.354 84 L HA 0.034 4.374 4.340 0.000 0.000 0.212 84 L C 2.176 179.051 176.870 0.008 0.000 1.091 84 L CA 0.858 55.694 54.840 -0.007 0.000 0.828 84 L CB -0.137 41.939 42.059 0.028 0.000 0.973 84 L HN -0.196 nan 8.230 nan 0.000 0.461 85 K N 0.007 120.336 120.400 -0.118 0.000 2.074 85 K HA -0.181 4.139 4.320 0.000 0.000 0.209 85 K C -0.364 176.222 176.600 -0.023 0.000 1.048 85 K CA 1.693 57.877 56.287 -0.172 0.000 0.926 85 K CB -1.241 31.061 32.500 -0.331 0.000 0.713 85 K HN 0.288 nan 8.250 nan 0.000 0.444 86 P HA -0.135 nan 4.420 nan 0.000 0.218 86 P C 0.817 178.122 177.300 0.009 0.000 1.148 86 P CA 1.155 64.249 63.100 -0.009 0.000 0.822 86 P CB 0.055 31.743 31.700 -0.019 0.000 0.784 87 L N -1.749 119.483 121.223 0.015 0.000 2.592 87 L HA 0.198 4.538 4.340 0.000 0.000 0.227 87 L C 0.395 177.297 176.870 0.053 0.000 1.127 87 L CA 0.005 54.856 54.840 0.018 0.000 0.884 87 L CB -0.775 41.283 42.059 -0.001 0.000 1.065 87 L HN -0.082 nan 8.230 nan 0.000 0.457 88 K N 0.681 121.143 120.400 0.102 0.000 3.035 88 K HA -0.178 4.142 4.320 0.000 0.000 0.262 88 K C 0.383 177.083 176.600 0.167 0.000 1.024 88 K CA 0.457 56.846 56.287 0.169 0.000 0.748 88 K CB -1.557 31.001 32.500 0.097 0.000 1.247 88 K HN 0.378 nan 8.250 nan 0.000 0.482 89 L N 0.612 121.947 121.223 0.186 0.000 2.965 89 L HA 0.105 4.445 4.340 0.000 0.000 0.254 89 L C 1.843 178.785 176.870 0.119 0.000 1.220 89 L CA -0.473 54.433 54.840 0.111 0.000 1.023 89 L CB -0.033 42.054 42.059 0.047 0.000 1.355 89 L HN 0.350 nan 8.230 nan 0.000 0.545 90 H N -2.613 116.468 119.070 0.019 0.000 2.551 90 H HA 0.017 4.573 4.556 -0.000 0.000 0.266 90 H C -0.496 174.693 175.328 -0.231 0.000 0.977 90 H CA -0.178 55.818 56.048 -0.087 0.000 1.163 90 H CB -0.245 29.483 29.762 -0.055 0.000 1.381 90 H HN 0.186 nan 8.280 nan 0.000 0.581 91 W N 1.130 122.226 121.300 -0.339 0.000 3.032 91 W HA 0.525 5.185 4.660 0.000 0.000 0.335 91 W C -0.438 175.958 176.519 -0.206 0.000 1.154 91 W CA -1.178 55.973 57.345 -0.325 0.000 1.204 91 W CB 1.747 30.956 29.460 -0.417 0.000 1.416 91 W HN -0.025 nan 8.180 nan 0.000 0.521 92 M N 2.613 122.266 119.600 0.088 0.000 2.550 92 M HA 0.679 5.159 4.480 0.000 0.000 0.292 92 M C -2.886 173.441 176.300 0.045 0.000 1.221 92 M CA -2.167 53.158 55.300 0.041 0.000 0.873 92 M CB 2.628 35.233 32.600 0.009 0.000 1.727 92 M HN -0.014 nan 8.290 nan 0.000 0.459 93 P HA 0.235 nan 4.420 nan 0.000 0.274 93 P C -0.789 176.532 177.300 0.035 0.000 1.231 93 P CA 0.014 63.131 63.100 0.028 0.000 0.790 93 P CB 1.161 32.870 31.700 0.016 0.000 0.951 94 T N -1.557 113.027 114.554 0.049 0.000 2.942 94 T HA 0.375 4.724 4.350 0.000 0.000 0.289 94 T C 1.436 176.165 174.700 0.049 0.000 1.044 94 T CA -0.956 61.177 62.100 0.055 0.000 1.023 94 T CB 0.613 69.541 68.868 0.100 0.000 1.123 94 T HN 0.189 nan 8.240 nan 0.000 0.512 95 L N 0.543 121.788 121.223 0.036 0.000 2.362 95 L HA 0.126 4.466 4.340 0.000 0.000 0.219 95 L C 2.582 179.488 176.870 0.060 0.000 1.134 95 L CA 1.047 55.907 54.840 0.032 0.000 0.807 95 L CB -0.720 41.343 42.059 0.006 0.000 0.927 95 L HN 0.895 nan 8.230 nan 0.000 0.447 96 A N -0.282 122.595 122.820 0.095 0.000 2.307 96 A HA 0.408 4.728 4.320 0.000 0.000 0.218 96 A C 1.737 179.448 177.584 0.212 0.000 1.228 96 A CA 0.562 52.694 52.037 0.159 0.000 0.857 96 A CB -0.236 18.862 19.000 0.164 0.000 0.897 96 A HN 0.479 nan 8.150 nan 0.000 0.495 97 G N -0.426 108.432 108.800 0.098 0.000 2.162 97 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 97 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 97 G C 0.093 175.025 174.900 0.052 0.000 0.976 97 G CA 0.537 45.652 45.100 0.024 0.000 0.655 97 G HN 0.631 nan 8.290 nan 0.000 0.533 98 D N -0.634 119.836 120.400 0.117 0.000 2.564 98 D HA 0.706 5.346 4.640 0.000 0.000 0.273 98 D C 0.526 176.886 176.300 0.101 0.000 1.192 98 D CA 0.332 54.418 54.000 0.143 0.000 1.080 98 D CB 1.754 42.713 40.800 0.265 0.000 1.160 98 D HN 0.854 nan 8.370 nan 0.000 0.607 99 V N -1.840 118.131 119.914 0.096 0.000 2.656 99 V HA 0.935 5.055 4.120 0.000 0.000 0.307 99 V C -0.698 175.479 176.094 0.140 0.000 1.051 99 V CA -0.963 61.382 62.300 0.075 0.000 0.893 99 V CB 0.898 32.678 31.823 -0.072 0.000 0.999 99 V HN 0.661 nan 8.190 nan 0.000 0.426 100 A N 3.400 126.247 122.820 0.044 0.000 2.350 100 A HA 0.971 5.291 4.320 0.000 0.000 0.324 100 A C 0.293 177.537 177.584 -0.567 0.000 1.118 100 A CA -0.338 51.429 52.037 -0.449 0.000 0.783 100 A CB 1.467 20.379 19.000 -0.145 0.000 1.236 100 A HN 2.236 nan 8.150 nan 0.000 0.457 101 A N 1.645 123.626 122.820 -1.398 0.000 2.450 101 A HA 0.458 4.778 4.320 0.000 0.000 0.255 101 A C 0.999 178.246 177.584 -0.561 0.000 1.096 101 A CA -0.128 51.130 52.037 -1.298 0.000 0.778 101 A CB 0.026 18.209 19.000 -1.362 0.000 1.031 101 A HN 1.137 nan 8.150 nan 0.000 0.494 102 V N 2.997 122.657 119.914 -0.424 0.000 2.346 102 V HA 0.035 4.155 4.120 0.000 0.000 0.244 102 V C 0.701 176.676 176.094 -0.200 0.000 1.037 102 V CA 1.254 63.422 62.300 -0.219 0.000 1.029 102 V CB -0.563 31.173 31.823 -0.144 0.000 0.663 102 V HN 0.668 nan 8.190 nan 0.000 0.454 103 L N 0.093 121.182 121.223 -0.222 0.000 2.439 103 L HA 0.650 4.990 4.340 0.000 0.000 0.270 103 L C -0.136 176.622 176.870 -0.186 0.000 0.972 103 L CA -0.785 53.959 54.840 -0.161 0.000 0.836 103 L CB 1.712 43.706 42.059 -0.108 0.000 1.255 103 L HN 0.155 nan 8.230 nan 0.000 0.404 104 A N 1.587 124.324 122.820 -0.138 0.000 2.580 104 A HA -0.003 4.317 4.320 0.000 0.000 0.244 104 A C 0.330 177.889 177.584 -0.043 0.000 1.045 104 A CA 0.411 52.397 52.037 -0.085 0.000 0.761 104 A CB 0.149 19.147 19.000 -0.004 0.000 0.962 104 A HN 0.847 nan 8.150 nan 0.000 0.512 105 D N 1.178 121.574 120.400 -0.006 0.000 2.634 105 D HA -0.008 4.632 4.640 0.000 0.000 0.262 105 D C 1.543 177.889 176.300 0.078 0.000 1.354 105 D CA 1.197 55.232 54.000 0.057 0.000 1.028 105 D CB -0.023 40.883 40.800 0.177 0.000 1.061 105 D HN 0.650 nan 8.370 nan 0.000 0.387 106 E N -0.520 119.764 120.200 0.140 0.000 2.299 106 E HA 0.062 4.412 4.350 0.000 0.000 0.193 106 E C 0.195 176.849 176.600 0.089 0.000 0.998 106 E CA 0.467 56.932 56.400 0.108 0.000 0.851 106 E CB 0.363 30.144 29.700 0.135 0.000 0.795 106 E HN 0.286 nan 8.360 nan 0.000 0.492 107 K N -1.039 119.432 120.400 0.119 0.000 2.615 107 K HA 0.382 4.702 4.320 0.000 0.000 0.291 107 K C -0.925 175.725 176.600 0.084 0.000 1.017 107 K CA -0.971 55.355 56.287 0.066 0.000 0.882 107 K CB 1.543 34.026 32.500 -0.027 0.000 1.522 107 K HN -0.093 nan 8.250 nan 0.000 0.412 108 V N -0.501 119.431 119.914 0.030 0.000 2.472 108 V HA 0.438 4.558 4.120 0.000 0.000 0.290 108 V C -0.293 175.797 176.094 -0.006 0.000 1.037 108 V CA -0.236 62.079 62.300 0.024 0.000 0.908 108 V CB 1.041 32.825 31.823 -0.064 0.000 0.985 108 V HN 0.938 nan 8.190 nan 0.000 0.454 109 H N 4.152 123.265 119.070 0.072 0.000 2.648 109 H HA 0.483 5.039 4.556 0.000 0.000 0.265 109 H C -0.115 175.292 175.328 0.133 0.000 0.961 109 H CA 0.955 57.065 56.048 0.102 0.000 1.185 109 H CB 0.444 30.206 29.762 0.001 0.000 1.449 109 H HN 0.792 nan 8.280 nan 0.000 0.523 110 F N -2.100 117.886 119.950 0.061 0.000 2.665 110 F HA 0.309 4.836 4.527 -0.000 0.000 0.308 110 F C -0.831 174.994 175.800 0.041 0.000 1.112 110 F CA -1.597 56.417 58.000 0.024 0.000 0.972 110 F CB 1.124 40.127 39.000 0.004 0.000 1.295 110 F HN -0.244 nan 8.300 nan 0.000 0.440 111 Q N 3.926 123.828 119.800 0.170 0.000 2.361 111 Q HA 0.256 4.596 4.340 0.000 0.000 0.276 111 Q C 0.335 176.384 176.000 0.082 0.000 1.022 111 Q CA 0.672 56.511 55.803 0.060 0.000 0.898 111 Q CB 0.418 29.221 28.738 0.108 0.000 1.246 111 Q HN 0.961 nan 8.270 nan 0.000 0.410 112 M N 0.261 119.839 119.600 -0.036 0.000 2.990 112 M HA -0.256 4.224 4.480 0.000 0.000 0.206 112 M C -0.164 176.077 176.300 -0.099 0.000 0.594 112 M CA 0.957 56.253 55.300 -0.007 0.000 0.787 112 M CB -2.056 30.604 32.600 0.100 0.000 2.812 112 M HN 0.864 nan 8.290 nan 0.000 0.300 113 Q N 1.808 121.350 119.800 -0.430 0.000 2.392 113 Q HA 0.167 4.507 4.340 0.000 0.000 0.262 113 Q C -0.271 175.587 176.000 -0.236 0.000 1.003 113 Q CA 0.385 55.811 55.803 -0.629 0.000 0.888 113 Q CB 0.751 28.823 28.738 -1.109 0.000 1.260 113 Q HN 0.181 nan 8.270 nan 0.000 0.435 114 E N 2.330 122.447 120.200 -0.139 0.000 2.328 114 E HA 0.007 4.357 4.350 0.000 0.000 0.265 114 E C 0.015 176.562 176.600 -0.088 0.000 1.057 114 E CA 0.053 56.399 56.400 -0.091 0.000 0.916 114 E CB 1.045 30.685 29.700 -0.100 0.000 0.993 114 E HN 0.448 nan 8.360 nan 0.000 0.446 115 V N 1.721 121.605 119.914 -0.049 0.000 3.048 115 V HA 0.424 4.544 4.120 0.000 0.000 0.241 115 V C 0.470 176.544 176.094 -0.034 0.000 1.129 115 V CA 1.054 63.342 62.300 -0.021 0.000 1.128 115 V CB 0.201 32.054 31.823 0.050 0.000 0.849 115 V HN 0.701 nan 8.190 nan 0.000 0.475 116 A N 0.205 123.005 122.820 -0.033 0.000 2.599 116 A HA 0.826 5.146 4.320 0.000 0.000 0.290 116 A C -1.423 176.138 177.584 -0.038 0.000 1.101 116 A CA -0.465 51.550 52.037 -0.037 0.000 0.674 116 A CB 1.674 20.660 19.000 -0.023 0.000 1.277 116 A HN 0.379 nan 8.150 nan 0.000 0.419 117 I N -1.394 119.154 120.570 -0.036 0.000 2.892 117 I HA 0.919 5.089 4.170 0.000 0.000 0.306 117 I C -0.659 175.462 176.117 0.006 0.000 1.078 117 I CA -1.276 60.006 61.300 -0.029 0.000 1.032 117 I CB 2.195 40.155 38.000 -0.067 0.000 1.229 117 I HN 0.850 nan 8.210 nan 0.000 0.435 118 V N 2.005 121.939 119.914 0.033 0.000 2.876 118 V HA 0.663 4.783 4.120 0.000 0.000 0.312 118 V C -0.889 175.253 176.094 0.081 0.000 1.085 118 V CA -0.575 61.760 62.300 0.059 0.000 0.945 118 V CB 2.006 33.870 31.823 0.069 0.000 1.017 118 V HN 0.647 nan 8.190 nan 0.000 0.428 119 I N 3.183 123.808 120.570 0.093 0.000 2.410 119 I HA 0.886 5.056 4.170 0.000 0.000 0.286 119 I C 0.315 176.513 176.117 0.134 0.000 1.009 119 I CA -0.332 61.025 61.300 0.095 0.000 1.111 119 I CB 0.997 39.038 38.000 0.068 0.000 1.262 119 I HN 1.123 nan 8.210 nan 0.000 0.443 120 A N 4.706 127.603 122.820 0.129 0.000 2.530 120 A HA 0.585 4.905 4.320 0.000 0.000 0.288 120 A C 0.483 178.128 177.584 0.102 0.000 1.172 120 A CA -0.433 51.705 52.037 0.168 0.000 0.733 120 A CB 1.168 20.262 19.000 0.156 0.000 1.320 120 A HN 0.593 nan 8.150 nan 0.000 0.419 121 D N 0.240 120.728 120.400 0.145 0.000 2.182 121 D HA -0.017 4.623 4.640 0.000 0.000 0.201 121 D C 0.001 176.362 176.300 0.102 0.000 0.986 121 D CA 2.337 56.402 54.000 0.109 0.000 0.847 121 D CB 0.015 40.904 40.800 0.147 0.000 0.942 121 D HN 0.739 nan 8.370 nan 0.000 0.467 122 D N -2.977 117.488 120.400 0.108 0.000 2.677 122 D HA 0.108 4.748 4.640 0.000 0.000 0.298 122 D C 0.832 177.103 176.300 -0.049 0.000 1.250 122 D CA -0.799 53.243 54.000 0.069 0.000 0.888 122 D CB 0.669 41.517 40.800 0.082 0.000 1.397 122 D HN -0.120 nan 8.370 nan 0.000 0.461 123 R N -0.743 119.556 120.500 -0.335 0.000 2.189 123 R HA -0.075 4.265 4.340 0.000 0.000 0.223 123 R C 0.873 177.029 176.300 -0.240 0.000 1.092 123 R CA 0.925 56.699 56.100 -0.542 0.000 0.989 123 R CB -0.731 29.070 30.300 -0.832 0.000 0.876 123 R HN 0.431 nan 8.270 nan 0.000 0.457 124 Y N 1.637 121.863 120.300 -0.124 0.000 2.153 124 Y HA -0.008 4.542 4.550 0.000 0.000 0.289 124 Y C 2.357 178.243 175.900 -0.024 0.000 1.127 124 Y CA 1.299 59.364 58.100 -0.058 0.000 1.131 124 Y CB -0.189 38.245 38.460 -0.042 0.000 0.995 124 Y HN -0.109 nan 8.280 nan 0.000 0.505 125 I N -0.552 120.108 120.570 0.151 0.000 2.286 125 I HA -0.323 3.847 4.170 0.000 0.000 0.248 125 I C 2.537 178.700 176.117 0.077 0.000 1.115 125 I CA 1.114 62.477 61.300 0.104 0.000 1.392 125 I CB -0.612 37.450 38.000 0.104 0.000 1.065 125 I HN 0.196 nan 8.210 nan 0.000 0.418 126 A N 0.816 123.677 122.820 0.068 0.000 1.940 126 A HA -0.217 4.103 4.320 0.000 0.000 0.219 126 A C 2.529 180.144 177.584 0.052 0.000 1.176 126 A CA 2.018 54.103 52.037 0.079 0.000 0.631 126 A CB -0.779 18.291 19.000 0.117 0.000 0.814 126 A HN 0.449 nan 8.150 nan 0.000 0.446 127 A N -0.147 122.676 122.820 0.005 0.000 1.930 127 A HA -0.124 4.196 4.320 0.000 0.000 0.217 127 A C 1.724 179.315 177.584 0.012 0.000 1.175 127 A CA 1.750 53.780 52.037 -0.012 0.000 0.627 127 A CB -0.483 18.466 19.000 -0.084 0.000 0.815 127 A HN 0.456 nan 8.150 nan 0.000 0.443 128 D N 0.312 120.727 120.400 0.025 0.000 2.144 128 D HA -0.031 4.609 4.640 0.000 0.000 0.200 128 D C 2.175 178.498 176.300 0.037 0.000 0.978 128 D CA 1.443 55.463 54.000 0.034 0.000 0.833 128 D CB -0.449 40.378 40.800 0.046 0.000 0.961 128 D HN 0.419 nan 8.370 nan 0.000 0.470 129 A N 0.586 123.434 122.820 0.047 0.000 1.933 129 A HA -0.127 4.193 4.320 0.000 0.000 0.218 129 A C 2.462 180.073 177.584 0.045 0.000 1.175 129 A CA 1.035 53.101 52.037 0.049 0.000 0.628 129 A CB -0.639 18.399 19.000 0.063 0.000 0.814 129 A HN 0.154 nan 8.150 nan 0.000 0.444 130 V N 0.209 120.150 119.914 0.044 0.000 2.427 130 V HA -0.165 3.955 4.120 0.000 0.000 0.248 130 V C 2.401 178.517 176.094 0.037 0.000 1.051 130 V CA 1.936 64.261 62.300 0.042 0.000 1.048 130 V CB -0.596 31.254 31.823 0.044 0.000 0.666 130 V HN 0.500 nan 8.190 nan 0.000 0.456 131 E N 0.305 120.523 120.200 0.031 0.000 2.208 131 E HA -0.040 4.310 4.350 0.000 0.000 0.193 131 E C 2.236 178.852 176.600 0.026 0.000 0.988 131 E CA 1.214 57.630 56.400 0.026 0.000 0.828 131 E CB -0.262 29.450 29.700 0.020 0.000 0.763 131 E HN 0.580 nan 8.360 nan 0.000 0.478 132 A N 0.851 123.688 122.820 0.028 0.000 2.067 132 A HA 0.019 4.339 4.320 0.000 0.000 0.217 132 A C 1.294 178.897 177.584 0.032 0.000 1.156 132 A CA 0.109 52.161 52.037 0.025 0.000 0.683 132 A CB 0.186 19.201 19.000 0.027 0.000 0.808 132 A HN 0.022 nan 8.150 nan 0.000 0.455 133 V N 2.080 122.018 119.914 0.040 0.000 2.405 133 V HA 0.121 4.241 4.120 0.000 0.000 0.264 133 V C -0.059 176.069 176.094 0.057 0.000 1.048 133 V CA 0.003 62.333 62.300 0.050 0.000 0.966 133 V CB 0.365 32.212 31.823 0.041 0.000 1.015 133 V HN 0.371 nan 8.190 nan 0.000 0.477 134 K N 4.117 124.565 120.400 0.080 0.000 2.159 134 K HA 0.741 5.061 4.320 0.000 0.000 0.266 134 K C -1.053 175.617 176.600 0.117 0.000 0.975 134 K CA -0.612 55.725 56.287 0.083 0.000 0.865 134 K CB 2.162 34.676 32.500 0.023 0.000 1.087 134 K HN 0.431 nan 8.250 nan 0.000 0.446 135 V N 2.503 122.436 119.914 0.031 0.000 2.588 135 V HA 0.225 4.345 4.120 0.000 0.000 0.304 135 V C -0.603 175.300 176.094 -0.318 0.000 1.042 135 V CA -0.972 61.223 62.300 -0.174 0.000 0.877 135 V CB 1.752 33.410 31.823 -0.275 0.000 0.996 135 V HN 0.737 nan 8.190 nan 0.000 0.425 136 E N 3.430 123.410 120.200 -0.367 0.000 2.197 136 E HA 0.612 4.962 4.350 0.000 0.000 0.281 136 E C -1.649 174.676 176.600 -0.457 0.000 0.995 136 E CA -0.380 55.864 56.400 -0.259 0.000 0.808 136 E CB 1.700 31.354 29.700 -0.078 0.000 1.093 136 E HN 0.627 nan 8.360 nan 0.000 0.394 137 Y N 0.360 120.660 120.300 -0.001 0.000 2.602 137 Y HA 0.341 4.891 4.550 -0.000 0.000 0.342 137 Y C -0.291 175.594 175.900 -0.024 0.000 1.029 137 Y CA -1.140 56.948 58.100 -0.020 0.000 1.080 137 Y CB 1.627 40.072 38.460 -0.024 0.000 1.284 137 Y HN 0.345 nan 8.280 nan 0.000 0.485 138 D N 1.419 121.904 120.400 0.142 0.000 2.438 138 D HA 0.187 4.827 4.640 0.000 0.000 0.257 138 D C -0.960 175.348 176.300 0.014 0.000 1.148 138 D CA -0.475 53.555 54.000 0.050 0.000 0.902 138 D CB 0.643 41.449 40.800 0.011 0.000 1.062 138 D HN 0.521 nan 8.370 nan 0.000 0.518 139 E N 1.633 121.840 120.200 0.012 0.000 2.529 139 E HA 0.093 4.443 4.350 0.000 0.000 0.259 139 E C 0.042 176.605 176.600 -0.062 0.000 0.966 139 E CA 0.412 56.794 56.400 -0.030 0.000 0.937 139 E CB 1.124 30.818 29.700 -0.010 0.000 0.923 139 E HN 0.358 nan 8.360 nan 0.000 0.468 140 L N 4.320 125.470 121.223 -0.123 0.000 2.303 140 L HA 0.453 4.793 4.340 0.000 0.000 0.266 140 L C -2.080 174.791 176.870 0.001 0.000 1.011 140 L CA -2.555 52.200 54.840 -0.141 0.000 0.818 140 L CB 1.452 43.256 42.059 -0.425 0.000 1.326 140 L HN 0.390 nan 8.230 nan 0.000 0.435 141 P HA 0.037 nan 4.420 nan 0.000 0.264 141 P C -0.733 176.693 177.300 0.211 0.000 1.193 141 P CA -0.028 63.139 63.100 0.111 0.000 0.763 141 P CB 0.707 32.460 31.700 0.088 0.000 0.810 142 V N 4.246 124.237 119.914 0.128 0.000 2.567 142 V HA 0.196 4.316 4.120 0.000 0.000 0.289 142 V C 0.607 176.710 176.094 0.016 0.000 1.049 142 V CA -0.579 61.770 62.300 0.083 0.000 0.969 142 V CB 1.770 33.628 31.823 0.057 0.000 0.995 142 V HN 0.272 nan 8.190 nan 0.000 0.471 143 V N 5.668 125.554 119.914 -0.047 0.000 2.334 143 V HA 0.360 4.480 4.120 0.000 0.000 0.281 143 V C 0.363 176.393 176.094 -0.108 0.000 1.016 143 V CA 0.082 62.346 62.300 -0.059 0.000 0.832 143 V CB 1.099 32.890 31.823 -0.053 0.000 0.999 143 V HN 0.767 nan 8.190 nan 0.000 0.439 144 I N 2.602 123.108 120.570 -0.105 0.000 3.443 144 I HA 0.235 4.405 4.170 0.000 0.000 0.277 144 I C 0.860 176.890 176.117 -0.145 0.000 1.169 144 I CA 0.659 61.859 61.300 -0.166 0.000 1.419 144 I CB 0.376 38.307 38.000 -0.115 0.000 1.331 144 I HN 0.709 nan 8.210 nan 0.000 0.458 145 D N 0.612 120.949 120.400 -0.104 0.000 2.277 145 D HA 0.165 4.805 4.640 0.000 0.000 0.249 145 D C -1.840 174.376 176.300 -0.140 0.000 1.134 145 D CA -1.979 51.950 54.000 -0.119 0.000 0.863 145 D CB 1.789 42.523 40.800 -0.110 0.000 1.143 145 D HN -0.085 nan 8.370 nan 0.000 0.458 146 P HA -0.121 nan 4.420 nan 0.000 0.217 146 P C 1.310 178.493 177.300 -0.195 0.000 1.148 146 P CA 0.995 63.989 63.100 -0.176 0.000 0.828 146 P CB 0.199 31.763 31.700 -0.225 0.000 0.783 147 I N -0.548 119.890 120.570 -0.219 0.000 2.202 147 I HA -0.205 3.965 4.170 0.000 0.000 0.242 147 I C 1.708 177.729 176.117 -0.161 0.000 1.091 147 I CA 1.479 62.663 61.300 -0.192 0.000 1.368 147 I CB -0.645 37.244 38.000 -0.184 0.000 1.058 147 I HN -0.085 nan 8.210 nan 0.000 0.410 148 D N 1.123 121.446 120.400 -0.129 0.000 2.218 148 D HA -0.121 4.519 4.640 0.000 0.000 0.204 148 D C 2.178 178.423 176.300 -0.092 0.000 0.976 148 D CA 1.258 55.202 54.000 -0.092 0.000 0.853 148 D CB -0.058 40.704 40.800 -0.063 0.000 0.939 148 D HN 0.335 nan 8.370 nan 0.000 0.481 149 A N 0.333 123.086 122.820 -0.111 0.000 1.972 149 A HA -0.079 4.241 4.320 0.000 0.000 0.219 149 A C 2.204 179.648 177.584 -0.233 0.000 1.169 149 A CA 0.737 52.716 52.037 -0.095 0.000 0.635 149 A CB -0.486 18.469 19.000 -0.075 0.000 0.810 149 A HN 0.236 nan 8.150 nan 0.000 0.446 150 L N -0.818 120.184 121.223 -0.367 0.000 2.558 150 L HA 0.050 4.390 4.340 0.000 0.000 0.225 150 L C 0.474 176.963 176.870 -0.634 0.000 1.128 150 L CA -0.018 54.380 54.840 -0.736 0.000 0.868 150 L CB -0.168 41.601 42.059 -0.484 0.000 1.006 150 L HN 0.217 nan 8.230 nan 0.000 0.454 151 K N 0.754 120.993 120.400 -0.268 0.000 2.469 151 K HA -0.021 4.299 4.320 0.000 0.000 0.274 151 K C -1.447 175.191 176.600 0.063 0.000 0.983 151 K CA -1.140 55.090 56.287 -0.094 0.000 0.974 151 K CB 0.476 32.953 32.500 -0.039 0.000 0.913 151 K HN -0.222 nan 8.250 nan 0.000 0.493 152 P HA -0.218 nan 4.420 nan 0.000 0.216 152 P C 0.315 177.735 177.300 0.200 0.000 1.150 152 P CA 1.434 64.643 63.100 0.182 0.000 0.843 152 P CB 0.121 31.878 31.700 0.094 0.000 0.787 153 D N -1.536 118.947 120.400 0.139 0.000 2.358 153 D HA 0.125 4.765 4.640 0.000 0.000 0.224 153 D C 0.292 176.684 176.300 0.153 0.000 1.123 153 D CA -0.311 53.764 54.000 0.126 0.000 0.833 153 D CB -0.619 40.225 40.800 0.074 0.000 0.946 153 D HN -0.004 nan 8.370 nan 0.000 0.505 154 A N 2.174 125.124 122.820 0.217 0.000 2.477 154 A HA 0.389 4.709 4.320 0.000 0.000 0.246 154 A C -2.009 175.774 177.584 0.332 0.000 1.078 154 A CA -1.000 51.174 52.037 0.229 0.000 0.770 154 A CB -0.044 19.079 19.000 0.206 0.000 1.011 154 A HN 0.126 nan 8.150 nan 0.000 0.494 155 P HA 0.097 nan 4.420 nan 0.000 0.268 155 P C -0.443 177.010 177.300 0.256 0.000 1.208 155 P CA -0.043 63.178 63.100 0.203 0.000 0.777 155 P CB 0.472 32.286 31.700 0.190 0.000 0.875 156 V N 4.587 124.552 119.914 0.085 0.000 2.387 156 V HA -0.001 4.119 4.120 0.000 0.000 0.260 156 V C 1.928 178.119 176.094 0.162 0.000 1.054 156 V CA 0.244 62.550 62.300 0.010 0.000 0.967 156 V CB -0.348 31.370 31.823 -0.173 0.000 1.036 156 V HN 0.481 nan 8.190 nan 0.000 0.481 157 L N 4.094 125.428 121.223 0.185 0.000 2.049 157 L HA 0.115 4.455 4.340 0.000 0.000 0.203 157 L C 1.341 178.375 176.870 0.273 0.000 1.074 157 L CA 0.878 55.794 54.840 0.127 0.000 0.749 157 L CB -0.181 41.897 42.059 0.031 0.000 0.907 157 L HN 0.481 nan 8.230 nan 0.000 0.439 158 R N 1.451 122.037 120.500 0.142 0.000 3.235 158 R HA 0.099 4.439 4.340 0.000 0.000 0.232 158 R C 0.675 177.050 176.300 0.125 0.000 1.475 158 R CA 0.053 56.224 56.100 0.118 0.000 1.405 158 R CB 0.106 30.314 30.300 -0.155 0.000 1.266 158 R HN 0.377 nan 8.270 nan 0.000 0.650 159 E N 0.808 121.125 120.200 0.196 0.000 2.338 159 E HA -0.166 4.184 4.350 0.000 0.000 0.197 159 E C 0.999 177.643 176.600 0.073 0.000 1.007 159 E CA 1.081 57.549 56.400 0.114 0.000 0.849 159 E CB 0.286 30.064 29.700 0.130 0.000 0.774 159 E HN 0.526 nan 8.360 nan 0.000 0.506 160 D N 0.523 120.963 120.400 0.067 0.000 2.317 160 D HA -0.136 4.504 4.640 0.000 0.000 0.211 160 D C 1.546 177.784 176.300 -0.102 0.000 0.966 160 D CA 0.588 54.550 54.000 -0.063 0.000 0.876 160 D CB 0.031 40.680 40.800 -0.251 0.000 0.927 160 D HN 0.268 nan 8.370 nan 0.000 0.519 161 L N 0.579 121.773 121.223 -0.049 0.000 2.667 161 L HA 0.318 4.658 4.340 0.000 0.000 0.232 161 L C 1.048 177.922 176.870 0.006 0.000 1.138 161 L CA -0.490 54.334 54.840 -0.026 0.000 0.921 161 L CB 0.104 42.170 42.059 0.012 0.000 1.180 161 L HN -0.067 nan 8.230 nan 0.000 0.487 162 A N 0.353 123.174 122.820 0.001 0.000 2.567 162 A HA 0.351 4.671 4.320 0.000 0.000 0.240 162 A C 1.487 179.071 177.584 -0.000 0.000 1.053 162 A CA 0.983 53.019 52.037 -0.000 0.000 0.755 162 A CB -0.188 18.805 19.000 -0.011 0.000 0.978 162 A HN 0.625 nan 8.150 nan 0.000 0.507 163 G N 1.753 110.557 108.800 0.007 0.000 2.253 163 G HA2 -0.247 3.713 3.960 0.000 0.000 0.251 163 G HA3 -0.247 3.713 3.960 0.000 0.000 0.251 163 G C 0.391 175.301 174.900 0.017 0.000 0.998 163 G CA 0.652 45.756 45.100 0.008 0.000 0.621 163 G HN 0.867 nan 8.290 nan 0.000 0.524 164 K N 1.040 121.454 120.400 0.023 0.000 2.298 164 K HA 0.444 4.764 4.320 0.000 0.000 0.280 164 K C 1.428 178.059 176.600 0.051 0.000 1.032 164 K CA 0.610 56.915 56.287 0.030 0.000 0.958 164 K CB 0.829 33.346 32.500 0.028 0.000 0.978 164 K HN 0.355 nan 8.250 nan 0.000 0.472 165 T N -2.644 111.939 114.554 0.047 0.000 3.044 165 T HA 0.062 4.412 4.350 0.000 0.000 0.260 165 T C 0.280 175.021 174.700 0.070 0.000 1.019 165 T CA -0.433 61.704 62.100 0.061 0.000 0.921 165 T CB 0.080 68.977 68.868 0.047 0.000 1.053 165 T HN 0.462 nan 8.240 nan 0.000 0.533 166 S N -0.637 115.099 115.700 0.060 0.000 2.541 166 S HA 0.820 5.290 4.470 0.000 0.000 0.271 166 S C 0.005 174.636 174.600 0.052 0.000 1.133 166 S CA -0.590 57.645 58.200 0.058 0.000 0.876 166 S CB 1.733 64.956 63.200 0.038 0.000 1.105 166 S HN 0.431 nan 8.310 nan 0.000 0.470 167 G N 0.361 109.197 108.800 0.059 0.000 3.039 167 G HA2 0.668 4.628 3.960 0.000 0.000 0.159 167 G HA3 0.668 4.628 3.960 0.000 0.000 0.159 167 G C 0.640 175.536 174.900 -0.007 0.000 1.284 167 G CA -0.372 44.760 45.100 0.054 0.000 0.996 167 G HN 1.284 nan 8.290 nan 0.000 0.592 168 A N -1.422 121.364 122.820 -0.056 0.000 2.275 168 A HA 0.275 4.595 4.320 0.000 0.000 0.212 168 A C 0.893 178.180 177.584 -0.496 0.000 1.201 168 A CA 0.407 52.291 52.037 -0.255 0.000 0.843 168 A CB -0.192 18.622 19.000 -0.310 0.000 0.873 168 A HN 0.512 nan 8.150 nan 0.000 0.492 169 H N -0.501 118.549 119.070 -0.033 0.000 2.562 169 H HA 0.403 4.959 4.556 -0.000 0.000 0.249 169 H C 0.846 176.195 175.328 0.035 0.000 1.195 169 H CA 0.460 56.475 56.048 -0.056 0.000 0.938 169 H CB 0.069 29.706 29.762 -0.207 0.000 1.891 169 H HN 0.599 nan 8.280 nan 0.000 0.595 170 G N 2.072 110.930 108.800 0.096 0.000 2.498 170 G HA2 -0.174 3.786 3.960 0.000 0.000 0.651 170 G HA3 -0.174 3.786 3.960 0.000 0.000 0.651 170 G C -2.861 172.106 174.900 0.111 0.000 1.284 170 G CA -1.166 43.999 45.100 0.108 0.000 0.950 170 G HN 0.067 nan 8.290 nan 0.000 0.511 171 P HA 0.383 nan 4.420 nan 0.000 0.271 171 P C -0.585 176.820 177.300 0.175 0.000 1.218 171 P CA 0.001 63.172 63.100 0.119 0.000 0.780 171 P CB 0.644 32.405 31.700 0.101 0.000 0.901 172 R N 1.442 122.047 120.500 0.175 0.000 2.343 172 R HA 0.169 4.509 4.340 0.000 0.000 0.320 172 R C 1.282 177.745 176.300 0.272 0.000 0.956 172 R CA -0.425 55.840 56.100 0.275 0.000 0.836 172 R CB 1.186 31.596 30.300 0.183 0.000 1.151 172 R HN 0.553 nan 8.270 nan 0.000 0.450 173 E N 1.188 121.589 120.200 0.335 0.000 2.478 173 E HA -0.034 4.316 4.350 0.000 0.000 0.194 173 E C -0.113 176.565 176.600 0.130 0.000 1.045 173 E CA 0.463 56.919 56.400 0.095 0.000 0.868 173 E CB 0.292 29.924 29.700 -0.113 0.000 0.885 173 E HN 0.594 nan 8.360 nan 0.000 0.505 174 H N -0.903 118.213 119.070 0.078 0.000 3.042 174 H HA 0.109 4.665 4.556 -0.000 0.000 0.346 174 H C 0.629 176.007 175.328 0.083 0.000 1.294 174 H CA -0.565 55.492 56.048 0.015 0.000 1.141 174 H CB 0.965 30.664 29.762 -0.105 0.000 1.872 174 H HN 0.122 nan 8.280 nan 0.000 0.541 175 H N 1.423 120.340 119.070 -0.256 0.000 2.491 175 H HA -0.003 4.553 4.556 -0.000 0.000 0.290 175 H C 0.051 175.525 175.328 0.243 0.000 1.050 175 H CA 1.054 57.093 56.048 -0.015 0.000 1.309 175 H CB 0.255 29.949 29.762 -0.113 0.000 1.392 175 H HN 0.378 nan 8.280 nan 0.000 0.554 176 N N 0.252 119.105 118.700 0.255 0.000 2.299 176 N HA -0.063 4.677 4.740 0.000 0.000 0.187 176 N C 0.299 175.983 175.510 0.290 0.000 1.099 176 N CA 0.005 53.288 53.050 0.388 0.000 0.867 176 N CB 0.042 38.668 38.487 0.233 0.000 0.974 176 N HN 0.554 nan 8.380 nan 0.000 0.477 177 H N 1.221 120.363 119.070 0.121 0.000 2.819 177 H HA 0.123 4.679 4.556 0.000 0.000 0.303 177 H C 0.987 176.237 175.328 -0.130 0.000 1.058 177 H CA 0.018 56.023 56.048 -0.071 0.000 1.471 177 H CB 0.773 30.525 29.762 -0.017 0.000 1.480 177 H HN -0.016 nan 8.280 nan 0.000 0.517 178 I N 5.840 125.959 120.570 -0.750 0.000 2.494 178 I HA -0.010 4.160 4.170 0.000 0.000 0.250 178 I C -0.032 175.795 176.117 -0.483 0.000 1.112 178 I CA 0.599 61.492 61.300 -0.679 0.000 1.438 178 I CB 0.095 37.599 38.000 -0.827 0.000 1.111 178 I HN 0.409 nan 8.210 nan 0.000 0.431 179 F N -1.816 117.627 119.950 -0.845 0.000 2.944 179 F HA 0.532 5.059 4.527 0.000 0.000 0.324 179 F C -1.397 174.280 175.800 -0.204 0.000 1.151 179 F CA -1.116 56.592 58.000 -0.487 0.000 0.883 179 F CB 0.844 39.727 39.000 -0.195 0.000 1.341 179 F HN -0.454 nan 8.300 nan 0.000 0.456 180 T N 1.288 116.059 114.554 0.362 0.000 3.011 180 T HA 0.412 4.762 4.350 0.000 0.000 0.303 180 T C -2.253 172.741 174.700 0.489 0.000 0.997 180 T CA -0.274 62.049 62.100 0.372 0.000 1.007 180 T CB 1.257 70.302 68.868 0.296 0.000 1.017 180 T HN 0.816 nan 8.240 nan 0.000 0.443 181 W N 2.428 123.895 121.300 0.278 0.000 2.844 181 W HA 0.735 5.395 4.660 0.000 0.000 0.340 181 W C -0.440 176.141 176.519 0.104 0.000 1.093 181 W CA -0.379 57.061 57.345 0.158 0.000 1.212 181 W CB 1.661 31.181 29.460 0.101 0.000 1.422 181 W HN 0.886 nan 8.180 nan 0.000 0.515 182 G N 1.627 109.938 108.800 -0.816 0.000 2.672 182 G HA2 0.851 4.811 3.960 0.000 0.000 0.292 182 G HA3 0.851 4.811 3.960 0.000 0.000 0.292 182 G C -2.063 172.083 174.900 -1.257 0.000 1.375 182 G CA -0.408 44.189 45.100 -0.839 0.000 0.890 182 G HN 1.081 nan 8.290 nan 0.000 0.476 183 A N -0.936 121.370 122.820 -0.857 0.000 2.594 183 A HA 1.109 5.429 4.320 0.000 0.000 0.295 183 A C 0.243 177.857 177.584 0.050 0.000 1.071 183 A CA 0.377 52.174 52.037 -0.401 0.000 0.685 183 A CB 1.423 20.197 19.000 -0.377 0.000 1.285 183 A HN 2.772 nan 8.150 nan 0.000 0.405 184 G N 0.128 109.058 108.800 0.217 0.000 2.566 184 G HA2 0.226 4.186 3.960 0.000 0.000 0.599 184 G HA3 0.226 4.186 3.960 0.000 0.000 0.599 184 G C -1.051 173.950 174.900 0.168 0.000 1.292 184 G CA -0.025 45.161 45.100 0.144 0.000 0.922 184 G HN 1.111 nan 8.290 nan 0.000 0.514 185 D N 0.216 120.679 120.400 0.105 0.000 2.467 185 D HA 0.311 4.951 4.640 0.000 0.000 0.220 185 D C 1.333 177.686 176.300 0.089 0.000 1.103 185 D CA -0.399 53.651 54.000 0.084 0.000 0.886 185 D CB 1.058 41.870 40.800 0.019 0.000 1.025 185 D HN 0.541 nan 8.370 nan 0.000 0.514 186 K N 2.477 122.895 120.400 0.030 0.000 2.026 186 K HA -0.151 4.169 4.320 0.000 0.000 0.208 186 K C 1.684 178.221 176.600 -0.105 0.000 1.048 186 K CA 1.141 57.285 56.287 -0.239 0.000 0.929 186 K CB 0.145 32.309 32.500 -0.560 0.000 0.713 186 K HN 0.389 nan 8.250 nan 0.000 0.439 187 A N 1.134 123.920 122.820 -0.057 0.000 1.883 187 A HA -0.155 4.165 4.320 0.000 0.000 0.217 187 A C 2.322 179.906 177.584 0.001 0.000 1.186 187 A CA 2.109 54.130 52.037 -0.027 0.000 0.624 187 A CB -0.822 18.167 19.000 -0.018 0.000 0.822 187 A HN 0.486 nan 8.150 nan 0.000 0.444 188 A N -1.246 121.580 122.820 0.010 0.000 1.898 188 A HA -0.054 4.266 4.320 0.000 0.000 0.216 188 A C 2.312 179.925 177.584 0.049 0.000 1.181 188 A CA 2.258 54.307 52.037 0.020 0.000 0.620 188 A CB -1.193 17.813 19.000 0.010 0.000 0.819 188 A HN 0.441 nan 8.150 nan 0.000 0.442 189 T N 0.149 114.750 114.554 0.078 0.000 2.737 189 T HA -0.110 4.240 4.350 0.000 0.000 0.265 189 T C 1.525 176.371 174.700 0.243 0.000 1.038 189 T CA 1.442 63.647 62.100 0.176 0.000 1.144 189 T CB -0.408 68.588 68.868 0.213 0.000 0.866 189 T HN 0.423 nan 8.240 nan 0.000 0.434 190 D N 1.330 121.802 120.400 0.121 0.000 2.149 190 D HA -0.035 4.605 4.640 0.000 0.000 0.198 190 D C 2.306 178.680 176.300 0.124 0.000 0.990 190 D CA 1.210 55.271 54.000 0.102 0.000 0.839 190 D CB -0.401 40.405 40.800 0.010 0.000 0.948 190 D HN 0.402 nan 8.370 nan 0.000 0.460 191 A N 0.428 123.297 122.820 0.081 0.000 1.898 191 A HA -0.124 4.196 4.320 0.000 0.000 0.216 191 A C 2.550 180.170 177.584 0.059 0.000 1.181 191 A CA 1.164 53.234 52.037 0.056 0.000 0.620 191 A CB -0.724 18.293 19.000 0.028 0.000 0.819 191 A HN 0.141 nan 8.150 nan 0.000 0.442 192 V N -1.216 118.733 119.914 0.059 0.000 2.295 192 V HA -0.260 3.860 4.120 0.000 0.000 0.246 192 V C 2.314 178.376 176.094 -0.054 0.000 1.049 192 V CA 2.180 64.467 62.300 -0.022 0.000 1.024 192 V CB -1.000 30.777 31.823 -0.078 0.000 0.648 192 V HN 0.566 nan 8.190 nan 0.000 0.447 193 F N 0.662 120.619 119.950 0.010 0.000 2.161 193 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 193 F C 2.403 178.208 175.800 0.009 0.000 1.089 193 F CA 1.446 59.455 58.000 0.015 0.000 1.282 193 F CB -0.694 38.320 39.000 0.023 0.000 1.010 193 F HN 0.101 nan 8.300 nan 0.000 0.485 194 A N -0.227 122.692 122.820 0.165 0.000 1.972 194 A HA -0.154 4.166 4.320 0.000 0.000 0.219 194 A C 1.726 179.339 177.584 0.048 0.000 1.169 194 A CA 1.787 53.880 52.037 0.093 0.000 0.635 194 A CB -0.463 18.578 19.000 0.067 0.000 0.810 194 A HN 0.379 nan 8.150 nan 0.000 0.446 195 N N -0.421 118.292 118.700 0.022 0.000 2.205 195 N HA 0.250 4.990 4.740 0.000 0.000 0.201 195 N C 0.230 175.724 175.510 -0.026 0.000 1.128 195 N CA 0.610 53.659 53.050 -0.002 0.000 0.867 195 N CB 0.232 38.714 38.487 -0.008 0.000 0.996 195 N HN 0.389 nan 8.380 nan 0.000 0.503 196 A N 2.547 125.338 122.820 -0.047 0.000 2.450 196 A HA 0.270 4.590 4.320 0.000 0.000 0.255 196 A C -0.745 176.812 177.584 -0.046 0.000 1.096 196 A CA -0.840 51.146 52.037 -0.086 0.000 0.778 196 A CB 0.513 19.401 19.000 -0.186 0.000 1.031 196 A HN 0.007 nan 8.150 nan 0.000 0.494 197 P HA 0.006 nan 4.420 nan 0.000 0.220 197 P C 0.052 177.340 177.300 -0.021 0.000 1.152 197 P CA 0.898 63.982 63.100 -0.027 0.000 0.812 197 P CB 0.092 31.774 31.700 -0.030 0.000 0.792 198 V N -0.367 119.527 119.914 -0.034 0.000 2.588 198 V HA 0.487 4.607 4.120 0.000 0.000 0.304 198 V C -0.201 175.884 176.094 -0.016 0.000 1.042 198 V CA -0.219 62.069 62.300 -0.021 0.000 0.877 198 V CB 2.087 33.893 31.823 -0.029 0.000 0.996 198 V HN -0.069 nan 8.190 nan 0.000 0.425 199 T N 3.318 117.889 114.554 0.029 0.000 2.923 199 T HA 0.725 5.075 4.350 0.000 0.000 0.311 199 T C -1.006 173.756 174.700 0.103 0.000 1.183 199 T CA -0.510 61.643 62.100 0.089 0.000 1.020 199 T CB 1.982 70.942 68.868 0.153 0.000 1.165 199 T HN 0.851 nan 8.240 nan 0.000 0.482 200 V N 0.058 120.059 119.914 0.144 0.000 2.971 200 V HA 1.021 5.141 4.120 0.000 0.000 0.309 200 V C -0.748 175.430 176.094 0.140 0.000 1.130 200 V CA -1.010 61.358 62.300 0.115 0.000 0.964 200 V CB 1.885 33.756 31.823 0.081 0.000 1.029 200 V HN 1.040 nan 8.190 nan 0.000 0.427 201 S N 2.081 117.843 115.700 0.103 0.000 2.575 201 S HA 0.827 5.297 4.470 0.000 0.000 0.278 201 S C -1.086 173.566 174.600 0.086 0.000 1.139 201 S CA -0.591 57.665 58.200 0.093 0.000 0.954 201 S CB 1.971 65.214 63.200 0.072 0.000 1.054 201 S HN 1.424 nan 8.310 nan 0.000 0.483 202 Q N 1.543 121.394 119.800 0.085 0.000 2.359 202 Q HA 0.437 4.777 4.340 0.000 0.000 0.274 202 Q C -1.784 174.268 176.000 0.088 0.000 1.074 202 Q CA -0.475 55.374 55.803 0.077 0.000 0.810 202 Q CB 1.523 30.279 28.738 0.030 0.000 1.342 202 Q HN 0.910 nan 8.270 nan 0.000 0.427 203 H N 5.188 124.276 119.070 0.029 0.000 2.458 203 H HA 0.694 5.250 4.556 0.000 0.000 0.330 203 H C -1.075 174.259 175.328 0.010 0.000 1.111 203 H CA -0.350 55.729 56.048 0.051 0.000 1.245 203 H CB 0.874 30.683 29.762 0.078 0.000 1.456 203 H HN 0.834 nan 8.280 nan 0.000 0.488 204 M N 3.877 123.184 119.600 -0.488 0.000 2.421 204 M HA 0.262 4.742 4.480 0.000 0.000 0.287 204 M C -2.287 173.964 176.300 -0.081 0.000 1.183 204 M CA -1.190 53.962 55.300 -0.247 0.000 0.916 204 M CB 2.658 35.020 32.600 -0.397 0.000 1.701 204 M HN 0.395 nan 8.290 nan 0.000 0.470 205 Y N 2.546 122.847 120.300 0.002 0.000 2.331 205 Y HA 0.519 5.069 4.550 0.000 0.000 0.338 205 Y C -1.995 173.902 175.900 -0.004 0.000 0.992 205 Y CA -1.205 56.878 58.100 -0.029 0.000 1.121 205 Y CB 1.059 39.532 38.460 0.021 0.000 1.184 205 Y HN 0.678 nan 8.280 nan 0.000 0.469 206 Y N 9.626 129.607 120.300 -0.531 0.000 2.700 206 Y HA 0.426 4.976 4.550 -0.000 0.000 0.333 206 Y C -2.363 172.954 175.900 -0.972 0.000 1.036 206 Y CA -3.634 54.088 58.100 -0.630 0.000 1.287 206 Y CB 0.262 38.490 38.460 -0.386 0.000 1.132 206 Y HN 0.484 nan 8.280 nan 0.000 0.510 207 P HA -0.061 nan 4.420 nan 0.000 0.265 207 P C -0.298 176.889 177.300 -0.188 0.000 1.187 207 P CA 0.056 62.710 63.100 -0.743 0.000 0.766 207 P CB 0.741 32.243 31.700 -0.331 0.000 0.820 208 R N 2.351 122.839 120.500 -0.020 0.000 2.421 208 R HA 0.260 4.600 4.340 0.000 0.000 0.305 208 R C -0.023 176.391 176.300 0.191 0.000 1.039 208 R CA -0.091 56.080 56.100 0.118 0.000 1.003 208 R CB -0.183 30.165 30.300 0.080 0.000 0.959 208 R HN 0.407 nan 8.270 nan 0.000 0.427 209 V N 0.858 120.936 119.914 0.273 0.000 3.158 209 V HA 0.519 4.639 4.120 0.000 0.000 0.311 209 V C -0.877 175.466 176.094 0.414 0.000 1.181 209 V CA -1.004 61.527 62.300 0.385 0.000 1.054 209 V CB 1.948 34.017 31.823 0.410 0.000 1.085 209 V HN 0.776 nan 8.190 nan 0.000 0.446 210 H N 1.767 121.012 119.070 0.291 0.000 2.538 210 H HA 0.494 5.050 4.556 -0.000 0.000 0.353 210 H C -2.195 172.956 175.328 -0.295 0.000 1.109 210 H CA -1.724 54.319 56.048 -0.009 0.000 1.192 210 H CB 3.133 32.742 29.762 -0.254 0.000 1.555 210 H HN 0.499 nan 8.280 nan 0.000 0.518 211 P HA -0.155 nan 4.420 nan 0.000 0.218 211 P C 0.655 177.644 177.300 -0.519 0.000 1.148 211 P CA 0.732 63.103 63.100 -1.214 0.000 0.822 211 P CB -0.122 31.160 31.700 -0.697 0.000 0.784 212 C N 1.084 120.366 119.300 -0.029 0.000 3.200 212 C HA -0.078 4.382 4.460 0.000 0.000 0.263 212 C C -1.777 173.216 174.990 0.005 0.000 1.345 212 C CA -0.966 58.096 59.018 0.074 0.000 2.274 212 C CB -2.513 25.274 27.740 0.079 0.000 1.459 212 C HN 0.328 nan 8.230 nan 0.000 0.501 213 P HA 0.138 nan 4.420 nan 0.000 0.271 213 P C 0.902 178.243 177.300 0.069 0.000 1.216 213 P CA -0.057 63.152 63.100 0.181 0.000 0.776 213 P CB 0.714 32.554 31.700 0.234 0.000 0.881 214 L N 2.001 123.260 121.223 0.059 0.000 2.043 214 L HA -0.121 4.219 4.340 0.000 0.000 0.212 214 L C 1.189 178.023 176.870 -0.060 0.000 1.075 214 L CA 1.785 56.614 54.840 -0.018 0.000 0.752 214 L CB -0.804 41.234 42.059 -0.036 0.000 0.891 214 L HN 0.525 nan 8.230 nan 0.000 0.432 215 E N -0.177 119.983 120.200 -0.067 0.000 2.229 215 E HA 0.192 4.542 4.350 0.000 0.000 0.283 215 E C -0.107 176.457 176.600 -0.060 0.000 1.030 215 E CA 0.002 56.339 56.400 -0.105 0.000 0.836 215 E CB 0.706 30.324 29.700 -0.136 0.000 1.068 215 E HN 0.391 nan 8.360 nan 0.000 0.401 216 T N 0.822 115.322 114.554 -0.090 0.000 2.732 216 T HA 0.198 4.548 4.350 0.000 0.000 0.287 216 T C 0.574 175.218 174.700 -0.094 0.000 0.993 216 T CA -0.839 61.201 62.100 -0.099 0.000 0.966 216 T CB 0.518 69.291 68.868 -0.157 0.000 1.047 216 T HN 0.502 nan 8.240 nan 0.000 0.527 217 C N 0.690 119.920 119.300 -0.118 0.000 2.604 217 C HA 0.822 5.282 4.460 0.000 0.000 0.396 217 C C 1.195 176.034 174.990 -0.252 0.000 1.282 217 C CA 0.413 59.407 59.018 -0.041 0.000 2.292 217 C CB -0.220 27.553 27.740 0.054 0.000 2.633 217 C HN 1.286 nan 8.230 nan 0.000 0.620 218 G N -0.253 108.548 108.800 0.002 0.000 2.356 218 G HA2 0.647 4.607 3.960 0.000 0.000 0.294 218 G HA3 0.647 4.607 3.960 0.000 0.000 0.294 218 G C -1.242 173.787 174.900 0.214 0.000 1.423 218 G CA 0.186 45.228 45.100 -0.098 0.000 0.806 218 G HN 1.551 nan 8.290 nan 0.000 0.527 219 C N -1.849 117.585 119.300 0.224 0.000 3.292 219 C HA 0.806 5.266 4.460 0.000 0.000 0.338 219 C C -1.258 173.844 174.990 0.187 0.000 1.323 219 C CA -0.837 58.306 59.018 0.209 0.000 1.232 219 C CB 1.177 29.059 27.740 0.236 0.000 1.517 219 C HN 1.158 nan 8.230 nan 0.000 0.470 220 V N 2.417 122.441 119.914 0.183 0.000 2.340 220 V HA 0.689 4.809 4.120 0.000 0.000 0.277 220 V C 0.729 176.939 176.094 0.194 0.000 1.017 220 V CA 0.437 62.843 62.300 0.177 0.000 0.820 220 V CB 0.860 32.788 31.823 0.175 0.000 1.028 220 V HN 1.404 nan 8.190 nan 0.000 0.436 221 A N 3.301 126.210 122.820 0.147 0.000 2.331 221 A HA 0.767 5.087 4.320 0.000 0.000 0.283 221 A C 0.273 177.931 177.584 0.122 0.000 1.142 221 A CA -0.207 51.899 52.037 0.116 0.000 0.812 221 A CB 1.059 20.124 19.000 0.108 0.000 1.074 221 A HN 0.816 nan 8.150 nan 0.000 0.497 222 S N 2.086 117.854 115.700 0.114 0.000 2.620 222 S HA 0.475 4.945 4.470 0.000 0.000 0.244 222 S C -1.322 173.354 174.600 0.127 0.000 1.192 222 S CA -0.446 57.825 58.200 0.118 0.000 1.148 222 S CB -0.051 63.217 63.200 0.113 0.000 1.106 222 S HN 0.760 nan 8.310 nan 0.000 0.474 223 F N 4.391 124.353 119.950 0.020 0.000 2.411 223 F HA 0.526 5.053 4.527 0.000 0.000 0.350 223 F C -0.028 175.783 175.800 0.018 0.000 1.114 223 F CA -0.821 57.188 58.000 0.014 0.000 1.135 223 F CB 0.946 39.954 39.000 0.014 0.000 1.120 223 F HN 0.473 nan 8.300 nan 0.000 0.495 224 D N 9.070 129.016 120.400 -0.757 0.000 2.443 224 D HA 0.262 4.902 4.640 0.000 0.000 0.221 224 D C -1.723 174.070 176.300 -0.845 0.000 1.097 224 D CA -2.609 51.053 54.000 -0.564 0.000 0.865 224 D CB 1.452 42.063 40.800 -0.316 0.000 1.034 224 D HN 0.295 nan 8.370 nan 0.000 0.511 225 P HA -0.120 nan 4.420 nan 0.000 0.221 225 P C 1.654 178.864 177.300 -0.150 0.000 1.145 225 P CA 0.680 63.626 63.100 -0.256 0.000 0.795 225 P CB 0.642 32.364 31.700 0.036 0.000 0.775 226 I N -0.012 120.468 120.570 -0.151 0.000 2.277 226 I HA -0.137 4.033 4.170 0.000 0.000 0.243 226 I C 2.398 178.460 176.117 -0.092 0.000 1.094 226 I CA 1.414 62.663 61.300 -0.085 0.000 1.393 226 I CB -0.359 37.603 38.000 -0.063 0.000 1.078 226 I HN -0.106 nan 8.210 nan 0.000 0.417 227 K N 0.487 120.803 120.400 -0.139 0.000 2.361 227 K HA 0.129 4.449 4.320 0.000 0.000 0.196 227 K C 1.156 177.689 176.600 -0.112 0.000 1.039 227 K CA 0.730 56.952 56.287 -0.108 0.000 1.001 227 K CB 0.247 32.684 32.500 -0.104 0.000 0.795 227 K HN 0.447 nan 8.250 nan 0.000 0.495 228 G N 3.281 111.957 108.800 -0.207 0.000 2.147 228 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 228 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 228 G C -0.745 174.138 174.900 -0.029 0.000 1.005 228 G CA 0.609 45.647 45.100 -0.103 0.000 0.713 228 G HN 0.520 nan 8.290 nan 0.000 0.515 229 D N -1.359 118.912 120.400 -0.216 0.000 2.547 229 D HA 0.695 5.335 4.640 0.000 0.000 0.231 229 D C -0.496 175.802 176.300 -0.004 0.000 1.099 229 D CA -1.211 52.782 54.000 -0.012 0.000 0.901 229 D CB 1.425 42.219 40.800 -0.010 0.000 1.478 229 D HN 0.488 nan 8.370 nan 0.000 0.471 230 L N 0.006 121.328 121.223 0.164 0.000 2.317 230 L HA 0.721 5.061 4.340 0.000 0.000 0.281 230 L C -0.926 175.958 176.870 0.024 0.000 1.024 230 L CA 0.224 55.167 54.840 0.172 0.000 0.810 230 L CB 1.984 44.184 42.059 0.236 0.000 1.240 230 L HN 0.573 nan 8.230 nan 0.000 0.427 231 T N 3.108 117.651 114.554 -0.019 0.000 2.840 231 T HA 0.536 4.886 4.350 0.000 0.000 0.287 231 T C -0.721 173.871 174.700 -0.180 0.000 0.991 231 T CA -0.401 61.611 62.100 -0.148 0.000 0.964 231 T CB 1.197 69.964 68.868 -0.168 0.000 0.954 231 T HN 0.649 nan 8.240 nan 0.000 0.438 232 T N 3.523 117.920 114.554 -0.261 0.000 2.840 232 T HA 0.432 4.782 4.350 0.000 0.000 0.287 232 T C -0.971 173.550 174.700 -0.298 0.000 0.991 232 T CA -0.520 61.468 62.100 -0.186 0.000 0.964 232 T CB 0.402 69.215 68.868 -0.092 0.000 0.954 232 T HN 0.408 nan 8.240 nan 0.000 0.438 233 Y N 3.276 123.563 120.300 -0.021 0.000 2.327 233 Y HA 0.669 5.219 4.550 0.000 0.000 0.336 233 Y C 0.282 176.156 175.900 -0.044 0.000 1.035 233 Y CA -0.747 57.335 58.100 -0.029 0.000 1.165 233 Y CB 0.785 39.241 38.460 -0.007 0.000 1.181 233 Y HN 0.525 nan 8.280 nan 0.000 0.494 234 I N 1.915 122.504 120.570 0.033 0.000 2.913 234 I HA 0.280 4.450 4.170 0.000 0.000 0.302 234 I C -0.411 175.685 176.117 -0.035 0.000 1.246 234 I CA -0.889 60.371 61.300 -0.067 0.000 1.010 234 I CB 2.338 40.174 38.000 -0.275 0.000 1.259 234 I HN 0.620 nan 8.210 nan 0.000 0.434 235 T N 1.817 116.371 114.554 -0.001 0.000 3.781 235 T HA 0.278 4.628 4.350 0.000 0.000 0.286 235 T C -0.162 174.568 174.700 0.051 0.000 1.277 235 T CA -0.347 61.790 62.100 0.062 0.000 1.136 235 T CB -0.211 68.735 68.868 0.130 0.000 1.202 235 T HN 0.400 nan 8.240 nan 0.000 0.884 236 S N 1.783 117.476 115.700 -0.011 0.000 2.502 236 S HA 0.310 4.780 4.470 0.000 0.000 0.304 236 S C 0.717 175.325 174.600 0.014 0.000 1.097 236 S CA -0.795 57.399 58.200 -0.010 0.000 1.045 236 S CB 1.617 64.767 63.200 -0.084 0.000 1.019 236 S HN 0.667 nan 8.310 nan 0.000 0.481 237 Q N 2.351 122.179 119.800 0.048 0.000 2.403 237 Q HA 0.329 4.669 4.340 0.000 0.000 0.203 237 Q C 0.179 176.274 176.000 0.158 0.000 0.932 237 Q CA 0.197 56.056 55.803 0.093 0.000 0.945 237 Q CB 0.632 29.452 28.738 0.137 0.000 1.045 237 Q HN 0.659 nan 8.270 nan 0.000 0.511 238 A N 0.972 123.854 122.820 0.103 0.000 3.399 238 A HA 0.233 4.553 4.320 0.000 0.000 0.262 238 A C -2.211 175.385 177.584 0.021 0.000 1.145 238 A CA -0.809 51.297 52.037 0.115 0.000 0.916 238 A CB 0.495 19.613 19.000 0.197 0.000 1.360 238 A HN -0.060 nan 8.150 nan 0.000 0.628 239 P HA -0.214 nan 4.420 nan 0.000 0.216 239 P C 1.068 178.240 177.300 -0.212 0.000 1.150 239 P CA 1.594 64.612 63.100 -0.137 0.000 0.837 239 P CB 0.114 31.706 31.700 -0.180 0.000 0.786 240 H N 0.050 118.985 119.070 -0.224 0.000 2.321 240 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 240 H C 2.092 177.269 175.328 -0.252 0.000 1.087 240 H CA 1.950 57.741 56.048 -0.429 0.000 1.319 240 H CB -1.016 28.147 29.762 -0.998 0.000 1.379 240 H HN -0.018 nan 8.280 nan 0.000 0.501 241 V N -0.264 119.652 119.914 0.003 0.000 2.515 241 V HA -0.170 3.950 4.120 0.000 0.000 0.250 241 V C 2.020 178.160 176.094 0.077 0.000 1.058 241 V CA 1.479 63.864 62.300 0.140 0.000 1.064 241 V CB -0.764 31.151 31.823 0.153 0.000 0.675 241 V HN 0.272 nan 8.190 nan 0.000 0.461 242 V N 0.841 120.763 119.914 0.012 0.000 2.287 242 V HA -0.271 3.849 4.120 0.000 0.000 0.248 242 V C 2.852 178.943 176.094 -0.005 0.000 1.053 242 V CA 2.802 65.096 62.300 -0.010 0.000 1.027 242 V CB -0.972 30.814 31.823 -0.063 0.000 0.646 242 V HN 0.663 nan 8.190 nan 0.000 0.447 243 R N -0.281 120.203 120.500 -0.027 0.000 2.083 243 R HA -0.198 4.142 4.340 0.000 0.000 0.237 243 R C 2.351 178.686 176.300 0.058 0.000 1.137 243 R CA 2.313 58.408 56.100 -0.008 0.000 0.951 243 R CB -0.588 29.688 30.300 -0.040 0.000 0.851 243 R HN 0.559 nan 8.270 nan 0.000 0.434 244 T N 0.470 115.097 114.554 0.123 0.000 2.720 244 T HA -0.113 4.237 4.350 0.000 0.000 0.268 244 T C 1.864 176.619 174.700 0.092 0.000 1.037 244 T CA 1.545 63.734 62.100 0.149 0.000 1.144 244 T CB -0.184 68.824 68.868 0.233 0.000 0.864 244 T HN 0.061 nan 8.240 nan 0.000 0.444 245 V N 1.154 121.114 119.914 0.077 0.000 2.307 245 V HA -0.136 3.984 4.120 0.000 0.000 0.245 245 V C 2.691 178.808 176.094 0.039 0.000 1.045 245 V CA 1.252 63.583 62.300 0.053 0.000 1.024 245 V CB -0.765 31.085 31.823 0.045 0.000 0.651 245 V HN 0.304 nan 8.190 nan 0.000 0.449 246 V N -0.165 119.768 119.914 0.032 0.000 2.392 246 V HA -0.280 3.840 4.120 0.000 0.000 0.249 246 V C 2.694 178.801 176.094 0.023 0.000 1.059 246 V CA 2.414 64.727 62.300 0.022 0.000 1.051 246 V CB -0.714 31.115 31.823 0.010 0.000 0.658 246 V HN 0.626 nan 8.190 nan 0.000 0.455 247 S N -0.781 114.939 115.700 0.033 0.000 2.356 247 S HA -0.204 4.266 4.470 0.000 0.000 0.223 247 S C 2.057 176.674 174.600 0.029 0.000 1.032 247 S CA 1.642 59.863 58.200 0.035 0.000 1.005 247 S CB -0.216 63.014 63.200 0.050 0.000 0.867 247 S HN 0.429 nan 8.310 nan 0.000 0.449 248 M N 0.985 120.604 119.600 0.032 0.000 2.117 248 M HA -0.043 4.437 4.480 0.000 0.000 0.262 248 M C 2.114 178.424 176.300 0.018 0.000 1.065 248 M CA 1.376 56.692 55.300 0.026 0.000 1.114 248 M CB -1.280 31.337 32.600 0.029 0.000 1.361 248 M HN 0.386 nan 8.290 nan 0.000 0.408 249 L N -0.472 120.761 121.223 0.017 0.000 2.313 249 L HA -0.073 4.267 4.340 0.000 0.000 0.214 249 L C 2.507 179.378 176.870 0.001 0.000 1.119 249 L CA 1.051 55.898 54.840 0.012 0.000 0.809 249 L CB -0.712 41.356 42.059 0.015 0.000 0.933 249 L HN 0.368 nan 8.230 nan 0.000 0.449 250 S N -1.055 114.643 115.700 -0.004 0.000 2.483 250 S HA 0.197 4.667 4.470 0.000 0.000 0.221 250 S C 1.666 176.251 174.600 -0.027 0.000 1.030 250 S CA 0.507 58.690 58.200 -0.027 0.000 0.925 250 S CB 0.669 63.846 63.200 -0.038 0.000 0.795 250 S HN 0.453 nan 8.310 nan 0.000 0.511 251 G N 1.257 110.054 108.800 -0.005 0.000 2.176 251 G HA2 -0.218 3.742 3.960 0.000 0.000 0.253 251 G HA3 -0.218 3.742 3.960 0.000 0.000 0.253 251 G C 0.026 174.932 174.900 0.011 0.000 0.979 251 G CA 0.146 45.247 45.100 0.001 0.000 0.641 251 G HN 0.585 nan 8.290 nan 0.000 0.530 252 I N 3.292 123.871 120.570 0.015 0.000 2.416 252 I HA 0.243 4.413 4.170 0.000 0.000 0.288 252 I C -1.568 174.578 176.117 0.048 0.000 1.051 252 I CA -2.050 59.276 61.300 0.045 0.000 1.375 252 I CB 0.902 38.940 38.000 0.064 0.000 1.407 252 I HN -0.107 nan 8.210 nan 0.000 0.516 253 P HA -0.066 nan 4.420 nan 0.000 0.265 253 P C 0.562 177.893 177.300 0.052 0.000 1.187 253 P CA 0.206 63.334 63.100 0.046 0.000 0.766 253 P CB 0.652 32.378 31.700 0.043 0.000 0.820 254 E N 2.208 122.440 120.200 0.053 0.000 2.130 254 E HA -0.227 4.123 4.350 0.000 0.000 0.196 254 E C 1.602 178.238 176.600 0.061 0.000 0.998 254 E CA 1.846 58.285 56.400 0.064 0.000 0.806 254 E CB -0.085 29.664 29.700 0.082 0.000 0.738 254 E HN 0.524 nan 8.360 nan 0.000 0.459 255 S N -0.183 115.551 115.700 0.056 0.000 2.474 255 S HA -0.078 4.392 4.470 0.000 0.000 0.235 255 S C 1.406 176.029 174.600 0.039 0.000 0.997 255 S CA 0.715 58.946 58.200 0.050 0.000 0.949 255 S CB -0.012 63.215 63.200 0.045 0.000 0.766 255 S HN 0.164 nan 8.310 nan 0.000 0.517 256 K N 0.683 121.109 120.400 0.043 0.000 2.372 256 K HA 0.344 4.664 4.320 0.000 0.000 0.200 256 K C -0.811 175.818 176.600 0.048 0.000 1.022 256 K CA -0.099 56.214 56.287 0.044 0.000 1.125 256 K CB 0.965 33.501 32.500 0.060 0.000 0.855 256 K HN 0.204 nan 8.250 nan 0.000 0.524 257 V N 1.643 121.579 119.914 0.036 0.000 2.448 257 V HA 0.357 4.477 4.120 0.000 0.000 0.295 257 V C -0.530 175.554 176.094 -0.018 0.000 1.025 257 V CA -0.923 61.390 62.300 0.022 0.000 0.859 257 V CB 1.654 33.494 31.823 0.028 0.000 0.988 257 V HN 0.132 nan 8.190 nan 0.000 0.431 258 R N 4.194 124.660 120.500 -0.058 0.000 2.483 258 R HA 0.655 4.995 4.340 0.000 0.000 0.303 258 R C -1.912 174.280 176.300 -0.179 0.000 0.987 258 R CA -0.639 55.394 56.100 -0.112 0.000 0.881 258 R CB 1.414 31.647 30.300 -0.113 0.000 1.177 258 R HN 0.594 nan 8.270 nan 0.000 0.451 259 I N 4.548 124.999 120.570 -0.198 0.000 2.404 259 I HA 0.305 4.475 4.170 0.000 0.000 0.293 259 I C -0.639 175.331 176.117 -0.245 0.000 0.992 259 I CA -0.656 60.508 61.300 -0.226 0.000 1.149 259 I CB 1.944 39.827 38.000 -0.194 0.000 1.315 259 I HN 0.358 nan 8.210 nan 0.000 0.446 260 V N 5.667 125.430 119.914 -0.252 0.000 2.482 260 V HA 0.578 4.698 4.120 0.000 0.000 0.295 260 V C -0.600 175.472 176.094 -0.037 0.000 1.026 260 V CA -0.099 62.111 62.300 -0.149 0.000 0.856 260 V CB 1.850 33.598 31.823 -0.126 0.000 1.001 260 V HN 0.690 nan 8.190 nan 0.000 0.424 261 S N 10.178 125.858 115.700 -0.033 0.000 2.411 261 S HA 0.487 4.957 4.470 0.000 0.000 0.294 261 S C -2.014 172.601 174.600 0.024 0.000 1.115 261 S CA -0.683 57.515 58.200 -0.003 0.000 1.071 261 S CB 1.170 64.358 63.200 -0.021 0.000 0.967 261 S HN 0.902 nan 8.310 nan 0.000 0.488 262 P HA 0.261 nan 4.420 nan 0.000 0.337 262 P C -0.787 176.495 177.300 -0.030 0.000 1.404 262 P CA -0.324 62.788 63.100 0.020 0.000 0.864 262 P CB 0.338 32.055 31.700 0.029 0.000 2.124 263 D N -0.095 120.238 120.400 -0.111 0.000 2.308 263 D HA 0.351 4.991 4.640 0.000 0.000 0.251 263 D C 0.002 176.260 176.300 -0.071 0.000 1.127 263 D CA 0.322 54.215 54.000 -0.178 0.000 0.876 263 D CB 0.371 40.894 40.800 -0.461 0.000 1.176 263 D HN 0.176 nan 8.370 nan 0.000 0.446 264 I N 0.848 121.443 120.570 0.042 0.000 2.406 264 I HA 0.237 4.407 4.170 0.000 0.000 0.290 264 I C 1.218 177.435 176.117 0.166 0.000 0.999 264 I CA -0.874 60.509 61.300 0.139 0.000 1.124 264 I CB 2.073 40.086 38.000 0.021 0.000 1.289 264 I HN 0.335 nan 8.210 nan 0.000 0.441 265 G N 4.569 113.487 108.800 0.197 0.000 3.284 265 G HA2 0.450 4.410 3.960 0.000 0.000 0.251 265 G HA3 0.450 4.410 3.960 0.000 0.000 0.251 265 G C 0.592 175.477 174.900 -0.026 0.000 0.913 265 G CA 0.321 45.435 45.100 0.023 0.000 1.947 265 G HN 1.073 nan 8.290 nan 0.000 0.635 266 G N -1.381 107.352 108.800 -0.112 0.000 2.785 266 G HA2 0.319 4.279 3.960 0.000 0.000 0.686 266 G HA3 0.319 4.279 3.960 0.000 0.000 0.686 266 G C 0.578 175.237 174.900 -0.403 0.000 1.155 266 G CA -0.368 44.535 45.100 -0.328 0.000 0.760 266 G HN 1.099 nan 8.290 nan 0.000 0.624 267 G N -0.253 108.036 108.800 -0.851 0.000 2.561 267 G HA2 0.563 4.523 3.960 0.000 0.000 0.197 267 G HA3 0.563 4.523 3.960 0.000 0.000 0.197 267 G C 0.799 175.497 174.900 -0.337 0.000 1.250 267 G CA 0.825 45.672 45.100 -0.422 0.000 0.703 267 G HN 1.760 nan 8.290 nan 0.000 0.625 268 F N 0.715 120.634 119.950 -0.052 0.000 3.057 268 F HA -0.163 4.364 4.527 0.000 0.000 0.287 268 F C 1.859 177.597 175.800 -0.104 0.000 0.834 268 F CA 0.989 58.946 58.000 -0.073 0.000 1.147 268 F CB -1.694 37.248 39.000 -0.097 0.000 1.245 268 F HN 1.262 nan 8.300 nan 0.000 0.509 269 G N -0.832 107.957 108.800 -0.019 0.000 2.199 269 G HA2 -0.455 3.505 3.960 0.000 0.000 0.254 269 G HA3 -0.455 3.505 3.960 0.000 0.000 0.254 269 G C 0.813 175.673 174.900 -0.067 0.000 0.982 269 G CA 0.737 45.799 45.100 -0.064 0.000 0.632 269 G HN 0.630 nan 8.290 nan 0.000 0.529 270 N N 0.483 119.165 118.700 -0.030 0.000 2.354 270 N HA 0.053 4.793 4.740 0.000 0.000 0.179 270 N C 1.544 177.143 175.510 0.148 0.000 1.021 270 N CA 1.441 54.494 53.050 0.006 0.000 0.887 270 N CB -0.157 38.319 38.487 -0.018 0.000 0.974 270 N HN 0.509 nan 8.380 nan 0.000 0.437 271 K N -0.353 120.109 120.400 0.104 0.000 2.675 271 K HA 0.213 4.533 4.320 0.000 0.000 0.213 271 K C 0.484 177.134 176.600 0.085 0.000 1.074 271 K CA -0.180 56.207 56.287 0.167 0.000 1.172 271 K CB 0.912 33.489 32.500 0.127 0.000 0.927 271 K HN -0.012 nan 8.250 nan 0.000 0.471 272 V N 0.132 120.046 119.914 0.000 0.000 2.500 272 V HA 0.001 4.121 4.120 0.000 0.000 0.243 272 V C 1.387 177.411 176.094 -0.118 0.000 1.039 272 V CA 1.057 63.300 62.300 -0.095 0.000 1.053 272 V CB 0.002 31.663 31.823 -0.269 0.000 0.695 272 V HN 0.447 nan 8.190 nan 0.000 0.463 273 G N -0.504 108.181 108.800 -0.192 0.000 2.580 273 G HA2 0.510 4.470 3.960 0.000 0.000 0.278 273 G HA3 0.510 4.470 3.960 0.000 0.000 0.278 273 G C -0.618 174.093 174.900 -0.316 0.000 1.212 273 G CA -0.526 44.397 45.100 -0.296 0.000 0.939 273 G HN 0.231 nan 8.290 nan 0.000 0.513 274 I N 0.696 121.124 120.570 -0.236 0.000 2.312 274 I HA 0.219 4.389 4.170 0.000 0.000 0.290 274 I C -0.797 175.182 176.117 -0.230 0.000 1.008 274 I CA -0.451 60.854 61.300 0.009 0.000 1.226 274 I CB 0.852 38.901 38.000 0.083 0.000 1.371 274 I HN 0.269 nan 8.210 nan 0.000 0.468 275 Y N 7.953 128.199 120.300 -0.090 0.000 2.335 275 Y HA 0.280 4.830 4.550 -0.000 0.000 0.323 275 Y C -1.295 174.435 175.900 -0.282 0.000 1.224 275 Y CA -2.153 55.800 58.100 -0.246 0.000 1.241 275 Y CB 0.161 38.411 38.460 -0.350 0.000 1.235 275 Y HN 0.430 nan 8.280 nan 0.000 0.492 276 P HA -0.193 nan 4.420 nan 0.000 0.217 276 P C 1.394 178.484 177.300 -0.350 0.000 1.148 276 P CA 2.140 65.151 63.100 -0.147 0.000 0.828 276 P CB -0.002 31.634 31.700 -0.108 0.000 0.783 277 G N -0.834 107.544 108.800 -0.703 0.000 2.442 277 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 277 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 277 G C 1.339 175.861 174.900 -0.629 0.000 1.141 277 G CA 0.609 44.803 45.100 -1.509 0.000 0.763 277 G HN 0.169 nan 8.290 nan 0.000 0.554 278 Y N 0.699 120.927 120.300 -0.120 0.000 2.163 278 Y HA -0.047 4.503 4.550 0.000 0.000 0.288 278 Y C 3.046 178.934 175.900 -0.019 0.000 1.136 278 Y CA 0.140 58.281 58.100 0.069 0.000 1.147 278 Y CB -1.174 37.365 38.460 0.132 0.000 0.987 278 Y HN 0.037 nan 8.280 nan 0.000 0.509 279 V N -1.108 118.869 119.914 0.105 0.000 2.287 279 V HA -0.347 3.773 4.120 0.000 0.000 0.248 279 V C 2.491 178.572 176.094 -0.022 0.000 1.053 279 V CA 1.850 64.168 62.300 0.030 0.000 1.027 279 V CB -1.220 30.599 31.823 -0.007 0.000 0.646 279 V HN 0.504 nan 8.190 nan 0.000 0.447 280 C N 0.300 119.542 119.300 -0.096 0.000 2.429 280 C HA -0.072 4.388 4.460 0.000 0.000 0.277 280 C C 3.114 178.064 174.990 -0.066 0.000 1.262 280 C CA 0.672 59.622 59.018 -0.114 0.000 1.733 280 C CB -1.448 26.167 27.740 -0.208 0.000 2.010 280 C HN 0.640 nan 8.230 nan 0.000 0.483 281 A N 0.509 123.305 122.820 -0.041 0.000 1.902 281 A HA -0.117 4.203 4.320 0.000 0.000 0.217 281 A C 2.022 179.637 177.584 0.052 0.000 1.181 281 A CA 1.612 53.674 52.037 0.040 0.000 0.623 281 A CB -0.564 18.525 19.000 0.148 0.000 0.818 281 A HN 0.598 nan 8.150 nan 0.000 0.443 282 I N -0.573 120.028 120.570 0.052 0.000 2.142 282 I HA -0.213 3.957 4.170 0.000 0.000 0.240 282 I C 2.387 178.505 176.117 0.003 0.000 1.078 282 I CA 1.229 62.553 61.300 0.040 0.000 1.343 282 I CB -0.416 37.604 38.000 0.034 0.000 1.046 282 I HN 0.153 nan 8.210 nan 0.000 0.405 283 V N 1.154 121.058 119.914 -0.017 0.000 2.287 283 V HA -0.334 3.786 4.120 0.000 0.000 0.248 283 V C 2.731 178.811 176.094 -0.023 0.000 1.053 283 V CA 2.115 64.393 62.300 -0.038 0.000 1.027 283 V CB -1.108 30.693 31.823 -0.036 0.000 0.646 283 V HN 0.516 nan 8.190 nan 0.000 0.447 284 A N -0.808 122.008 122.820 -0.006 0.000 1.883 284 A HA -0.260 4.060 4.320 0.000 0.000 0.217 284 A C 2.562 180.167 177.584 0.035 0.000 1.186 284 A CA 2.365 54.409 52.037 0.011 0.000 0.624 284 A CB -0.877 18.130 19.000 0.011 0.000 0.822 284 A HN 0.480 nan 8.150 nan 0.000 0.444 285 S N -0.522 115.209 115.700 0.052 0.000 2.368 285 S HA -0.122 4.348 4.470 0.000 0.000 0.225 285 S C 1.894 176.576 174.600 0.136 0.000 1.030 285 S CA 1.455 59.714 58.200 0.098 0.000 0.999 285 S CB -0.520 62.753 63.200 0.123 0.000 0.844 285 S HN 0.486 nan 8.310 nan 0.000 0.459 286 I N 0.872 121.472 120.570 0.049 0.000 2.226 286 I HA -0.134 4.036 4.170 0.000 0.000 0.245 286 I C 2.209 178.322 176.117 -0.008 0.000 1.100 286 I CA 0.906 62.151 61.300 -0.092 0.000 1.374 286 I CB -0.348 37.440 38.000 -0.354 0.000 1.057 286 I HN 0.214 nan 8.210 nan 0.000 0.413 287 V N 0.939 120.853 119.914 0.001 0.000 2.283 287 V HA -0.233 3.887 4.120 0.000 0.000 0.243 287 V C 2.223 178.354 176.094 0.062 0.000 1.039 287 V CA 1.618 63.930 62.300 0.020 0.000 1.016 287 V CB -0.449 31.380 31.823 0.010 0.000 0.650 287 V HN 0.353 nan 8.190 nan 0.000 0.449 288 L N 0.449 121.716 121.223 0.072 0.000 2.465 288 L HA 0.180 4.520 4.340 0.000 0.000 0.224 288 L C 1.800 178.731 176.870 0.101 0.000 1.145 288 L CA 0.945 55.836 54.840 0.084 0.000 0.834 288 L CB -0.772 41.329 42.059 0.071 0.000 0.944 288 L HN 0.613 nan 8.230 nan 0.000 0.451 289 G N 1.300 110.184 108.800 0.140 0.000 2.160 289 G HA2 -0.297 3.663 3.960 0.000 0.000 0.251 289 G HA3 -0.297 3.663 3.960 0.000 0.000 0.251 289 G C 0.250 175.213 174.900 0.105 0.000 1.008 289 G CA 0.654 45.848 45.100 0.157 0.000 0.724 289 G HN 0.573 nan 8.290 nan 0.000 0.514 290 R N -2.067 118.491 120.500 0.098 0.000 2.752 290 R HA 0.674 5.014 4.340 0.000 0.000 0.271 290 R C -3.409 172.933 176.300 0.070 0.000 1.026 290 R CA -2.270 53.870 56.100 0.066 0.000 0.901 290 R CB 0.513 30.839 30.300 0.043 0.000 1.243 290 R HN 0.003 nan 8.270 nan 0.000 0.463 291 P HA 0.042 nan 4.420 nan 0.000 0.265 291 P C -0.925 176.408 177.300 0.055 0.000 1.193 291 P CA -0.205 62.937 63.100 0.071 0.000 0.765 291 P CB 0.653 32.395 31.700 0.069 0.000 0.823 292 V N 4.106 124.060 119.914 0.066 0.000 2.531 292 V HA 0.355 4.475 4.120 0.000 0.000 0.301 292 V C 0.086 176.208 176.094 0.048 0.000 1.034 292 V CA -0.616 61.712 62.300 0.047 0.000 0.865 292 V CB 1.764 33.617 31.823 0.051 0.000 0.995 292 V HN 0.417 nan 8.190 nan 0.000 0.424 293 K N 3.825 124.208 120.400 -0.029 0.000 2.206 293 K HA 0.487 4.807 4.320 0.000 0.000 0.264 293 K C -1.746 174.717 176.600 -0.227 0.000 0.967 293 K CA -0.551 55.675 56.287 -0.102 0.000 0.844 293 K CB 1.648 34.061 32.500 -0.144 0.000 1.099 293 K HN 0.654 nan 8.250 nan 0.000 0.441 294 W N 5.082 126.253 121.300 -0.214 0.000 2.715 294 W HA 0.450 5.110 4.660 0.000 0.000 0.331 294 W C -2.113 174.388 176.519 -0.030 0.000 1.031 294 W CA -0.590 56.665 57.345 -0.150 0.000 1.237 294 W CB 1.274 30.726 29.460 -0.013 0.000 1.378 294 W HN 0.194 nan 8.180 nan 0.000 0.454 295 V N 6.897 126.418 119.914 -0.655 0.000 2.488 295 V HA 0.192 4.312 4.120 0.000 0.000 0.293 295 V C 0.015 175.716 176.094 -0.656 0.000 1.027 295 V CA -1.016 60.912 62.300 -0.620 0.000 0.862 295 V CB 1.351 33.055 31.823 -0.199 0.000 1.008 295 V HN 0.571 nan 8.190 nan 0.000 0.428 296 E N 3.340 123.015 120.200 -0.874 0.000 2.392 296 E HA 0.307 4.657 4.350 0.000 0.000 0.259 296 E C -0.967 175.493 176.600 -0.234 0.000 1.108 296 E CA -0.631 55.501 56.400 -0.446 0.000 0.916 296 E CB 1.016 30.488 29.700 -0.380 0.000 0.989 296 E HN 0.525 nan 8.360 nan 0.000 0.432 297 D N 0.717 121.041 120.400 -0.128 0.000 2.388 297 D HA 0.057 4.697 4.640 0.000 0.000 0.254 297 D C 0.891 177.122 176.300 -0.115 0.000 1.111 297 D CA -0.518 53.417 54.000 -0.108 0.000 0.993 297 D CB 1.174 41.928 40.800 -0.075 0.000 1.118 297 D HN 0.461 nan 8.370 nan 0.000 0.502 298 R N 0.583 121.019 120.500 -0.108 0.000 2.103 298 R HA -0.133 4.207 4.340 0.000 0.000 0.242 298 R C 1.746 177.959 176.300 -0.144 0.000 1.142 298 R CA 1.442 57.470 56.100 -0.119 0.000 0.960 298 R CB -1.053 29.190 30.300 -0.095 0.000 0.858 298 R HN 0.305 nan 8.270 nan 0.000 0.439 299 V N 0.748 120.594 119.914 -0.114 0.000 2.490 299 V HA -0.183 3.937 4.120 0.000 0.000 0.250 299 V C 1.585 177.608 176.094 -0.118 0.000 1.061 299 V CA 2.210 64.440 62.300 -0.117 0.000 1.064 299 V CB -0.281 31.496 31.823 -0.076 0.000 0.670 299 V HN 0.502 nan 8.190 nan 0.000 0.461 300 E N -0.069 120.077 120.200 -0.089 0.000 2.072 300 E HA -0.215 4.135 4.350 0.000 0.000 0.190 300 E C 2.016 178.547 176.600 -0.116 0.000 0.982 300 E CA 1.374 57.742 56.400 -0.052 0.000 0.803 300 E CB -0.244 29.462 29.700 0.010 0.000 0.755 300 E HN 0.707 nan 8.360 nan 0.000 0.453 301 N N 1.251 119.848 118.700 -0.172 0.000 2.043 301 N HA -0.155 4.585 4.740 0.000 0.000 0.193 301 N C 1.755 176.993 175.510 -0.454 0.000 1.037 301 N CA 1.274 54.189 53.050 -0.224 0.000 0.851 301 N CB -0.051 38.331 38.487 -0.175 0.000 1.027 301 N HN 0.057 nan 8.380 nan 0.000 0.422 302 I N -0.433 119.783 120.570 -0.590 0.000 2.252 302 I HA -0.193 3.977 4.170 0.000 0.000 0.245 302 I C 1.901 177.662 176.117 -0.593 0.000 1.102 302 I CA 0.847 61.563 61.300 -0.974 0.000 1.385 302 I CB -0.252 37.334 38.000 -0.689 0.000 1.064 302 I HN 0.172 nan 8.210 nan 0.000 0.414 303 S N -0.204 115.322 115.700 -0.289 0.000 2.406 303 S HA -0.106 4.364 4.470 0.000 0.000 0.228 303 S C 1.870 176.494 174.600 0.042 0.000 1.020 303 S CA 1.807 59.950 58.200 -0.095 0.000 0.965 303 S CB -0.183 62.997 63.200 -0.035 0.000 0.798 303 S HN 0.647 nan 8.310 nan 0.000 0.488 304 T N -0.827 113.743 114.554 0.027 0.000 2.958 304 T HA 0.139 4.489 4.350 0.000 0.000 0.256 304 T C 0.835 175.558 174.700 0.037 0.000 0.983 304 T CA 0.256 62.434 62.100 0.130 0.000 0.924 304 T CB -0.178 68.818 68.868 0.213 0.000 1.136 304 T HN 0.388 nan 8.240 nan 0.000 0.506 305 T N 0.992 115.512 114.554 -0.057 0.000 2.847 305 T HA 0.704 5.054 4.350 0.000 0.000 0.279 305 T C 0.622 175.460 174.700 0.229 0.000 0.984 305 T CA -0.358 61.629 62.100 -0.189 0.000 0.988 305 T CB 0.723 69.387 68.868 -0.341 0.000 1.040 305 T HN 0.498 nan 8.240 nan 0.000 0.528 306 A N 1.618 124.591 122.820 0.255 0.000 2.561 306 A HA 0.442 4.762 4.320 0.000 0.000 0.251 306 A C 0.217 177.716 177.584 -0.141 0.000 1.062 306 A CA -0.543 51.530 52.037 0.061 0.000 0.761 306 A CB -1.181 17.819 19.000 -0.000 0.000 0.986 306 A HN 0.802 nan 8.150 nan 0.000 0.510 307 F N 1.744 121.667 119.950 -0.044 0.000 2.364 307 F HA 0.837 5.364 4.527 0.000 0.000 0.316 307 F C 0.307 176.053 175.800 -0.089 0.000 1.133 307 F CA -0.806 57.157 58.000 -0.061 0.000 1.051 307 F CB 0.812 39.860 39.000 0.081 0.000 1.342 307 F HN 0.711 nan 8.300 nan 0.000 0.507 308 A N 0.683 123.599 122.820 0.160 0.000 2.479 308 A HA 0.921 5.241 4.320 0.000 0.000 0.296 308 A C -0.262 177.394 177.584 0.119 0.000 1.121 308 A CA -0.924 51.105 52.037 -0.013 0.000 0.743 308 A CB 1.140 20.169 19.000 0.049 0.000 1.323 308 A HN 0.896 nan 8.150 nan 0.000 0.415 309 R N -0.063 120.333 120.500 -0.173 0.000 4.026 309 R HA -0.175 4.165 4.340 0.000 0.000 0.338 309 R C -0.157 176.144 176.300 0.002 0.000 0.241 309 R CA 1.359 57.255 56.100 -0.340 0.000 1.115 309 R CB -1.605 28.389 30.300 -0.510 0.000 1.047 309 R HN 1.548 nan 8.270 nan 0.000 0.539 310 D N -1.056 119.350 120.400 0.010 0.000 2.767 310 D HA -0.165 4.475 4.640 0.000 0.000 0.239 310 D C -1.361 175.154 176.300 0.360 0.000 1.103 310 D CA 0.891 54.998 54.000 0.178 0.000 0.710 310 D CB -1.092 39.851 40.800 0.238 0.000 1.084 310 D HN 0.297 nan 8.370 nan 0.000 0.435 311 Y N 0.855 121.146 120.300 -0.015 0.000 2.352 311 Y HA 0.400 4.950 4.550 0.000 0.000 0.339 311 Y C 0.638 176.580 175.900 0.070 0.000 0.992 311 Y CA -0.660 57.474 58.100 0.056 0.000 1.100 311 Y CB 1.191 39.655 38.460 0.006 0.000 1.192 311 Y HN 0.076 nan 8.280 nan 0.000 0.458 312 H N 5.912 125.134 119.070 0.254 0.000 2.623 312 H HA 0.401 4.957 4.556 0.000 0.000 0.299 312 H C -0.596 174.760 175.328 0.047 0.000 1.052 312 H CA -0.240 55.937 56.048 0.216 0.000 1.231 312 H CB 0.784 30.669 29.762 0.205 0.000 1.389 312 H HN 0.576 nan 8.280 nan 0.000 0.469 313 M N 2.626 122.245 119.600 0.030 0.000 2.364 313 M HA 0.245 4.725 4.480 0.000 0.000 0.334 313 M C -0.369 175.905 176.300 -0.044 0.000 1.107 313 M CA -0.557 54.766 55.300 0.038 0.000 0.988 313 M CB 2.045 34.756 32.600 0.184 0.000 1.673 313 M HN 0.351 nan 8.290 nan 0.000 0.441 314 D N 2.944 123.408 120.400 0.107 0.000 2.462 314 D HA 0.321 4.961 4.640 0.000 0.000 0.249 314 D C -0.249 176.131 176.300 0.133 0.000 1.117 314 D CA 0.000 54.088 54.000 0.147 0.000 0.900 314 D CB 1.649 42.557 40.800 0.180 0.000 1.039 314 D HN 0.840 nan 8.370 nan 0.000 0.516 315 G N 1.468 110.342 108.800 0.124 0.000 2.395 315 G HA2 0.454 4.414 3.960 0.000 0.000 0.283 315 G HA3 0.454 4.414 3.960 0.000 0.000 0.283 315 G C -0.152 174.820 174.900 0.118 0.000 1.178 315 G CA -0.307 44.880 45.100 0.145 0.000 0.837 315 G HN 0.264 nan 8.290 nan 0.000 0.518 316 E N -0.041 120.240 120.200 0.134 0.000 2.314 316 E HA 0.483 4.833 4.350 0.000 0.000 0.272 316 E C -1.587 175.254 176.600 0.401 0.000 0.884 316 E CA -0.754 55.738 56.400 0.154 0.000 0.753 316 E CB 2.686 32.287 29.700 -0.164 0.000 1.213 316 E HN 0.199 nan 8.360 nan 0.000 0.432 317 L N 1.844 123.350 121.223 0.472 0.000 2.438 317 L HA 0.600 4.941 4.340 0.000 0.000 0.270 317 L C -1.156 175.799 176.870 0.142 0.000 0.972 317 L CA -0.433 54.616 54.840 0.347 0.000 0.831 317 L CB 1.846 43.996 42.059 0.152 0.000 1.273 317 L HN 0.688 nan 8.230 nan 0.000 0.405 318 A N 3.069 125.681 122.820 -0.346 0.000 2.305 318 A HA 1.004 5.324 4.320 0.000 0.000 0.322 318 A C -0.511 176.904 177.584 -0.282 0.000 1.187 318 A CA 0.283 51.971 52.037 -0.581 0.000 0.825 318 A CB 1.186 19.435 19.000 -1.252 0.000 1.164 318 A HN 1.033 nan 8.150 nan 0.000 0.498 319 A N 0.915 123.624 122.820 -0.185 0.000 2.588 319 A HA 0.886 5.206 4.320 0.000 0.000 0.290 319 A C -0.055 177.471 177.584 -0.095 0.000 1.136 319 A CA 0.088 52.050 52.037 -0.125 0.000 0.681 319 A CB 0.616 19.560 19.000 -0.094 0.000 1.282 319 A HN 1.764 nan 8.150 nan 0.000 0.421 320 T N -1.877 112.631 114.554 -0.077 0.000 2.944 320 T HA 0.615 4.965 4.350 0.000 0.000 0.284 320 T C -2.207 172.464 174.700 -0.049 0.000 1.010 320 T CA -1.699 60.365 62.100 -0.059 0.000 1.025 320 T CB 1.286 70.122 68.868 -0.053 0.000 1.079 320 T HN 0.193 nan 8.240 nan 0.000 0.516 321 P HA -0.130 nan 4.420 nan 0.000 0.218 321 P C 1.016 178.297 177.300 -0.033 0.000 1.146 321 P CA 1.200 64.282 63.100 -0.031 0.000 0.820 321 P CB -0.039 31.646 31.700 -0.024 0.000 0.778 322 D N -2.322 118.056 120.400 -0.037 0.000 2.340 322 D HA 0.063 4.703 4.640 0.000 0.000 0.220 322 D C 1.416 177.687 176.300 -0.049 0.000 1.039 322 D CA 0.811 54.788 54.000 -0.038 0.000 0.866 322 D CB -0.715 40.065 40.800 -0.034 0.000 0.913 322 D HN 0.245 nan 8.370 nan 0.000 0.523 323 G N 1.028 109.794 108.800 -0.058 0.000 2.179 323 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 323 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 323 G C 0.091 174.936 174.900 -0.092 0.000 0.990 323 G CA 0.013 45.067 45.100 -0.076 0.000 0.646 323 G HN 0.655 nan 8.290 nan 0.000 0.517 324 K N 1.315 121.669 120.400 -0.077 0.000 2.349 324 K HA 0.572 4.892 4.320 0.000 0.000 0.289 324 K C 0.423 176.972 176.600 -0.085 0.000 1.064 324 K CA -0.712 55.529 56.287 -0.076 0.000 0.947 324 K CB 0.974 33.441 32.500 -0.056 0.000 1.007 324 K HN 0.265 nan 8.250 nan 0.000 0.478 325 I N 5.079 125.593 120.570 -0.093 0.000 2.598 325 I HA -0.115 4.055 4.170 0.000 0.000 0.284 325 I C 1.120 177.190 176.117 -0.078 0.000 1.140 325 I CA -0.083 61.163 61.300 -0.090 0.000 1.420 325 I CB 0.410 38.362 38.000 -0.081 0.000 1.387 325 I HN 0.702 nan 8.210 nan 0.000 0.553 326 L N 5.810 126.960 121.223 -0.122 0.000 2.357 326 L HA 0.363 4.703 4.340 0.000 0.000 0.211 326 L C 1.039 177.826 176.870 -0.138 0.000 1.075 326 L CA 0.112 54.874 54.840 -0.130 0.000 0.830 326 L CB -0.112 41.845 42.059 -0.170 0.000 0.996 326 L HN 0.749 nan 8.230 nan 0.000 0.467 327 G N -0.164 108.516 108.800 -0.200 0.000 2.677 327 G HA2 0.551 4.511 3.960 0.000 0.000 0.291 327 G HA3 0.551 4.511 3.960 0.000 0.000 0.291 327 G C -2.376 172.584 174.900 0.100 0.000 1.435 327 G CA -0.329 44.710 45.100 -0.102 0.000 0.826 327 G HN -0.179 nan 8.290 nan 0.000 0.491 328 L N 0.140 121.570 121.223 0.345 0.000 2.438 328 L HA 0.864 5.204 4.340 0.000 0.000 0.270 328 L C -0.504 176.644 176.870 0.464 0.000 0.972 328 L CA -0.834 54.273 54.840 0.443 0.000 0.831 328 L CB 1.976 44.229 42.059 0.323 0.000 1.273 328 L HN 0.638 nan 8.230 nan 0.000 0.405 329 R N 4.077 124.784 120.500 0.344 0.000 2.532 329 R HA 0.875 5.215 4.340 0.000 0.000 0.297 329 R C -1.956 174.435 176.300 0.153 0.000 0.984 329 R CA -0.553 55.627 56.100 0.134 0.000 0.884 329 R CB 1.868 31.972 30.300 -0.326 0.000 1.182 329 R HN 0.543 nan 8.270 nan 0.000 0.442 330 V N 3.233 123.301 119.914 0.255 0.000 2.760 330 V HA 0.485 4.606 4.120 0.000 0.000 0.309 330 V C -0.849 175.398 176.094 0.255 0.000 1.077 330 V CA -1.056 61.411 62.300 0.277 0.000 0.910 330 V CB 2.235 34.313 31.823 0.425 0.000 1.008 330 V HN 0.827 nan 8.190 nan 0.000 0.424 331 N N 1.623 120.433 118.700 0.184 0.000 2.296 331 N HA 0.818 5.558 4.740 0.000 0.000 0.294 331 N C -1.346 174.209 175.510 0.075 0.000 1.033 331 N CA -0.449 52.676 53.050 0.125 0.000 0.839 331 N CB 2.573 41.114 38.487 0.089 0.000 1.395 331 N HN 0.507 nan 8.380 nan 0.000 0.479 332 V N 1.522 121.425 119.914 -0.018 0.000 2.876 332 V HA 0.518 4.638 4.120 0.000 0.000 0.312 332 V C -0.752 175.230 176.094 -0.185 0.000 1.085 332 V CA -0.794 61.413 62.300 -0.154 0.000 0.945 332 V CB 2.194 33.729 31.823 -0.479 0.000 1.017 332 V HN 0.311 nan 8.190 nan 0.000 0.428 333 V N 2.982 122.812 119.914 -0.140 0.000 2.378 333 V HA 0.782 4.902 4.120 0.000 0.000 0.288 333 V C 0.257 176.295 176.094 -0.094 0.000 1.016 333 V CA -0.426 61.803 62.300 -0.117 0.000 0.840 333 V CB 1.536 33.313 31.823 -0.076 0.000 0.994 333 V HN 1.023 nan 8.190 nan 0.000 0.431 334 A N 3.342 126.067 122.820 -0.160 0.000 2.288 334 A HA 0.623 4.943 4.320 0.000 0.000 0.320 334 A C -0.447 177.271 177.584 0.223 0.000 1.217 334 A CA -0.478 51.584 52.037 0.040 0.000 0.840 334 A CB 0.786 19.836 19.000 0.084 0.000 1.179 334 A HN 0.731 nan 8.150 nan 0.000 0.504 335 D N 1.422 122.025 120.400 0.339 0.000 2.396 335 D HA 0.175 4.815 4.640 0.000 0.000 0.225 335 D C 0.331 176.867 176.300 0.393 0.000 1.121 335 D CA 0.105 54.263 54.000 0.263 0.000 0.853 335 D CB 0.242 41.155 40.800 0.187 0.000 1.043 335 D HN 0.691 nan 8.370 nan 0.000 0.500 336 H N 2.528 121.698 119.070 0.166 0.000 2.586 336 H HA 0.258 4.814 4.556 0.000 0.000 0.273 336 H C 1.277 176.772 175.328 0.277 0.000 0.997 336 H CA 0.055 56.279 56.048 0.293 0.000 1.177 336 H CB 0.949 30.813 29.762 0.170 0.000 1.471 336 H HN 0.675 nan 8.280 nan 0.000 0.538 337 G N 0.627 109.557 108.800 0.217 0.000 2.681 337 G HA2 -0.295 3.665 3.960 0.000 0.000 0.220 337 G HA3 -0.295 3.665 3.960 0.000 0.000 0.220 337 G C 0.993 175.944 174.900 0.087 0.000 1.353 337 G CA -0.080 45.050 45.100 0.050 0.000 0.872 337 G HN 0.345 nan 8.290 nan 0.000 0.557 338 A N -0.890 121.827 122.820 -0.172 0.000 1.902 338 A HA 0.427 4.747 4.320 0.000 0.000 0.217 338 A C 0.869 178.197 177.584 -0.427 0.000 1.181 338 A CA 2.297 54.095 52.037 -0.398 0.000 0.623 338 A CB -0.318 18.254 19.000 -0.714 0.000 0.818 338 A HN 1.243 nan 8.150 nan 0.000 0.443 339 F N -1.228 118.863 119.950 0.234 0.000 2.563 339 F HA 0.484 5.011 4.527 0.000 0.000 0.316 339 F C -0.440 175.579 175.800 0.365 0.000 1.076 339 F CA -2.190 55.983 58.000 0.289 0.000 0.921 339 F CB 0.960 40.093 39.000 0.222 0.000 1.209 339 F HN -0.107 nan 8.300 nan 0.000 0.462 340 D N 1.820 122.580 120.400 0.600 0.000 2.422 340 D HA 0.487 5.127 4.640 0.000 0.000 0.227 340 D C 0.050 176.548 176.300 0.330 0.000 1.190 340 D CA 0.177 54.444 54.000 0.445 0.000 0.905 340 D CB 0.940 41.963 40.800 0.371 0.000 1.034 340 D HN 0.656 nan 8.370 nan 0.000 0.507 341 A N 3.380 126.360 122.820 0.266 0.000 2.606 341 A HA 0.147 4.467 4.320 0.000 0.000 0.290 341 A C 0.714 178.341 177.584 0.072 0.000 1.174 341 A CA -0.507 51.626 52.037 0.159 0.000 0.958 341 A CB -0.344 18.750 19.000 0.157 0.000 1.194 341 A HN 0.590 nan 8.150 nan 0.000 0.526 342 C N 2.483 121.834 119.300 0.086 0.000 2.662 342 C HA 0.458 4.918 4.460 0.000 0.000 0.402 342 C C 1.305 176.295 174.990 0.000 0.000 1.397 342 C CA -0.184 58.822 59.018 -0.019 0.000 1.575 342 C CB -1.779 25.966 27.740 0.008 0.000 2.406 342 C HN 0.783 nan 8.230 nan 0.000 0.609 343 A N 6.346 129.141 122.820 -0.042 0.000 2.548 343 A HA 0.451 4.771 4.320 0.000 0.000 0.247 343 A C 0.135 177.811 177.584 0.154 0.000 1.067 343 A CA 0.798 52.835 52.037 0.001 0.000 0.757 343 A CB 0.064 19.006 19.000 -0.098 0.000 0.996 343 A HN 0.963 nan 8.150 nan 0.000 0.504 344 D N 1.459 121.931 120.400 0.120 0.000 2.728 344 D HA 0.345 4.985 4.640 0.000 0.000 0.249 344 D C -3.153 173.083 176.300 -0.106 0.000 1.225 344 D CA -0.593 53.408 54.000 0.002 0.000 0.748 344 D CB 1.459 42.251 40.800 -0.014 0.000 1.326 344 D HN 0.160 nan 8.370 nan 0.000 0.426 345 P HA 0.176 nan 4.420 nan 0.000 0.275 345 P C 0.819 178.148 177.300 0.048 0.000 1.227 345 P CA -0.014 63.051 63.100 -0.059 0.000 0.781 345 P CB 0.600 32.295 31.700 -0.009 0.000 0.906 346 T N 1.909 116.490 114.554 0.045 0.000 2.714 346 T HA -0.228 4.122 4.350 0.000 0.000 0.268 346 T C 1.050 175.755 174.700 0.009 0.000 1.036 346 T CA 1.650 63.769 62.100 0.031 0.000 1.148 346 T CB -0.387 68.480 68.868 -0.001 0.000 0.856 346 T HN 0.499 nan 8.240 nan 0.000 0.462 347 K N -0.184 120.174 120.400 -0.070 0.000 2.417 347 K HA 0.181 4.501 4.320 0.000 0.000 0.196 347 K C -0.512 175.601 176.600 -0.812 0.000 1.023 347 K CA 0.107 56.170 56.287 -0.372 0.000 1.122 347 K CB 0.355 32.563 32.500 -0.487 0.000 0.850 347 K HN 0.311 nan 8.250 nan 0.000 0.521 348 F N 1.227 121.049 119.950 -0.212 0.000 2.686 348 F HA 0.223 4.750 4.527 0.000 0.000 0.365 348 F C -1.833 173.583 175.800 -0.640 0.000 1.196 348 F CA -2.249 55.446 58.000 -0.509 0.000 1.198 348 F CB 1.542 40.329 39.000 -0.356 0.000 1.454 348 F HN -0.138 nan 8.300 nan 0.000 0.539 349 P HA -0.096 nan 4.420 nan 0.000 0.228 349 P C 0.796 177.738 177.300 -0.597 0.000 1.151 349 P CA 0.988 63.418 63.100 -1.117 0.000 0.770 349 P CB 0.479 30.838 31.700 -2.235 0.000 0.786 350 A N -1.052 121.446 122.820 -0.537 0.000 2.606 350 A HA 0.593 4.913 4.320 0.000 0.000 0.290 350 A C 1.112 178.654 177.584 -0.071 0.000 1.174 350 A CA 0.222 52.183 52.037 -0.127 0.000 0.958 350 A CB -0.407 18.578 19.000 -0.025 0.000 1.194 350 A HN 0.302 nan 8.150 nan 0.000 0.526 351 G N 0.400 109.134 108.800 -0.110 0.000 2.582 351 G HA2 -0.275 3.685 3.960 0.000 0.000 0.288 351 G HA3 -0.275 3.685 3.960 0.000 0.000 0.288 351 G C 0.298 175.224 174.900 0.043 0.000 1.247 351 G CA 0.347 45.458 45.100 0.017 0.000 0.972 351 G HN 0.768 nan 8.290 nan 0.000 0.557 352 L N 0.425 121.725 121.223 0.127 0.000 3.064 352 L HA 0.373 4.713 4.340 0.000 0.000 0.233 352 L C 1.647 178.681 176.870 0.273 0.000 1.333 352 L CA -0.245 54.707 54.840 0.187 0.000 1.140 352 L CB -0.204 41.772 42.059 -0.137 0.000 1.519 352 L HN 0.469 nan 8.230 nan 0.000 0.493 353 F N 1.567 121.695 119.950 0.295 0.000 2.269 353 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 353 F C 2.541 178.487 175.800 0.244 0.000 1.082 353 F CA 1.235 59.395 58.000 0.267 0.000 1.360 353 F CB -0.020 39.188 39.000 0.346 0.000 1.041 353 F HN 0.491 nan 8.300 nan 0.000 0.512 354 H N -0.767 118.343 119.070 0.067 0.000 2.574 354 H HA 0.019 4.575 4.556 0.000 0.000 0.277 354 H C 1.790 176.929 175.328 -0.316 0.000 1.058 354 H CA 0.226 55.973 56.048 -0.502 0.000 1.171 354 H CB -1.147 28.462 29.762 -0.255 0.000 1.304 354 H HN 0.317 nan 8.280 nan 0.000 0.620 355 I N 1.856 122.279 120.570 -0.245 0.000 3.883 355 I HA -0.077 4.093 4.170 0.000 0.000 0.326 355 I C 1.470 177.543 176.117 -0.074 0.000 1.283 355 I CA 0.040 61.201 61.300 -0.231 0.000 1.161 355 I CB -0.839 36.846 38.000 -0.525 0.000 1.012 355 I HN 0.427 nan 8.210 nan 0.000 0.421 356 C N -0.051 119.122 119.300 -0.211 0.000 2.460 356 C HA -0.022 4.438 4.460 0.000 0.000 0.291 356 C C 2.722 177.830 174.990 0.197 0.000 1.493 356 C CA 0.559 59.509 59.018 -0.114 0.000 1.748 356 C CB -2.294 25.202 27.740 -0.407 0.000 1.656 356 C HN 0.642 nan 8.230 nan 0.000 0.576 357 S N 0.528 116.459 115.700 0.385 0.000 2.481 357 S HA 0.363 4.833 4.470 0.000 0.000 0.231 357 S C 1.461 176.263 174.600 0.335 0.000 0.996 357 S CA 1.000 59.467 58.200 0.446 0.000 0.942 357 S CB -1.011 62.494 63.200 0.508 0.000 0.768 357 S HN 1.829 nan 8.310 nan 0.000 0.520 358 G N 1.282 110.233 108.800 0.253 0.000 2.552 358 G HA2 -0.278 3.682 3.960 0.000 0.000 0.265 358 G HA3 -0.278 3.682 3.960 0.000 0.000 0.265 358 G C 0.466 175.374 174.900 0.013 0.000 1.234 358 G CA 0.074 45.226 45.100 0.087 0.000 0.944 358 G HN 0.786 nan 8.290 nan 0.000 0.568 359 S N 0.722 116.124 115.700 -0.497 0.000 2.660 359 S HA 0.403 4.873 4.470 0.000 0.000 0.227 359 S C -0.314 174.087 174.600 -0.332 0.000 0.948 359 S CA 0.520 58.460 58.200 -0.432 0.000 0.948 359 S CB -0.124 62.545 63.200 -0.885 0.000 0.779 359 S HN 0.456 nan 8.310 nan 0.000 0.487 360 Y N 0.774 121.186 120.300 0.186 0.000 2.446 360 Y HA 0.468 5.018 4.550 0.000 0.000 0.338 360 Y C 0.121 176.014 175.900 -0.011 0.000 1.055 360 Y CA -2.459 55.698 58.100 0.095 0.000 1.101 360 Y CB 0.410 38.919 38.460 0.081 0.000 1.221 360 Y HN -0.111 nan 8.280 nan 0.000 0.460 361 D N 3.055 123.485 120.400 0.050 0.000 2.508 361 D HA 0.194 4.834 4.640 0.000 0.000 0.224 361 D C -0.715 175.636 176.300 0.086 0.000 1.171 361 D CA 0.174 54.147 54.000 -0.045 0.000 1.006 361 D CB -0.414 40.280 40.800 -0.176 0.000 1.073 361 D HN 0.453 nan 8.370 nan 0.000 0.513 362 I N 5.114 125.771 120.570 0.145 0.000 2.297 362 I HA 0.188 4.358 4.170 0.000 0.000 0.291 362 I C -1.080 175.074 176.117 0.062 0.000 1.033 362 I CA -1.890 59.469 61.300 0.099 0.000 1.253 362 I CB 1.836 39.915 38.000 0.132 0.000 1.396 362 I HN 0.152 nan 8.210 nan 0.000 0.476 363 P HA -0.103 nan 4.420 nan 0.000 0.217 363 P C 0.426 177.708 177.300 -0.029 0.000 1.150 363 P CA 1.222 64.322 63.100 0.000 0.000 0.832 363 P CB 0.355 32.049 31.700 -0.009 0.000 0.787 364 R N -0.756 119.726 120.500 -0.029 0.000 2.686 364 R HA 0.769 5.109 4.340 0.000 0.000 0.283 364 R C -1.234 175.051 176.300 -0.025 0.000 0.978 364 R CA -0.578 55.501 56.100 -0.035 0.000 0.897 364 R CB 2.163 32.462 30.300 -0.001 0.000 1.192 364 R HN 0.065 nan 8.270 nan 0.000 0.457 365 A N 1.654 124.417 122.820 -0.095 0.000 2.599 365 A HA 0.562 4.882 4.320 0.000 0.000 0.294 365 A C -2.031 175.528 177.584 -0.042 0.000 1.055 365 A CA -0.533 51.456 52.037 -0.081 0.000 0.683 365 A CB 1.584 20.422 19.000 -0.269 0.000 1.278 365 A HN 0.668 nan 8.150 nan 0.000 0.412 366 H N -0.183 118.981 119.070 0.158 0.000 3.038 366 H HA 0.615 5.171 4.556 0.000 0.000 0.362 366 H C -1.295 174.289 175.328 0.427 0.000 1.167 366 H CA 0.261 56.487 56.048 0.298 0.000 1.197 366 H CB 1.918 31.765 29.762 0.143 0.000 1.840 366 H HN 1.566 nan 8.280 nan 0.000 0.540 367 C N 2.276 121.526 119.300 -0.085 0.000 2.898 367 C HA 0.833 5.293 4.460 0.000 0.000 0.304 367 C C -0.623 174.289 174.990 -0.130 0.000 1.237 367 C CA -0.874 58.214 59.018 0.117 0.000 1.529 367 C CB 1.169 29.118 27.740 0.349 0.000 2.021 367 C HN 0.676 nan 8.230 nan 0.000 0.474 368 S N 1.168 116.943 115.700 0.125 0.000 2.736 368 S HA 0.685 5.155 4.470 0.000 0.000 0.285 368 S C -1.157 173.524 174.600 0.134 0.000 1.163 368 S CA -0.277 57.996 58.200 0.121 0.000 1.025 368 S CB 1.059 64.372 63.200 0.188 0.000 1.030 368 S HN 0.957 nan 8.310 nan 0.000 0.486 369 V N 5.481 125.518 119.914 0.206 0.000 2.398 369 V HA 0.550 4.670 4.120 0.000 0.000 0.286 369 V C 0.065 176.189 176.094 0.050 0.000 1.026 369 V CA -0.754 61.592 62.300 0.077 0.000 0.868 369 V CB 1.606 33.508 31.823 0.132 0.000 0.982 369 V HN 0.768 nan 8.190 nan 0.000 0.443 370 K N 3.294 123.606 120.400 -0.147 0.000 2.367 370 K HA 0.583 4.903 4.320 0.000 0.000 0.263 370 K C 0.254 176.537 176.600 -0.529 0.000 1.000 370 K CA -0.368 55.770 56.287 -0.249 0.000 0.891 370 K CB 1.248 33.682 32.500 -0.110 0.000 1.117 370 K HN 0.926 nan 8.250 nan 0.000 0.443 371 G N 2.316 110.386 108.800 -1.217 0.000 2.370 371 G HA2 0.424 4.384 3.960 0.000 0.000 0.272 371 G HA3 0.424 4.384 3.960 0.000 0.000 0.272 371 G C -0.850 173.586 174.900 -0.774 0.000 1.208 371 G CA -0.360 43.953 45.100 -1.311 0.000 0.856 371 G HN 0.391 nan 8.290 nan 0.000 0.500 372 V N 2.518 122.153 119.914 -0.465 0.000 2.789 372 V HA 0.331 4.451 4.120 0.000 0.000 0.311 372 V C -1.087 174.896 176.094 -0.185 0.000 1.073 372 V CA -0.997 61.130 62.300 -0.288 0.000 0.921 372 V CB 1.762 33.495 31.823 -0.150 0.000 1.009 372 V HN 0.650 nan 8.190 nan 0.000 0.426 373 Y N 2.398 122.680 120.300 -0.030 0.000 2.299 373 Y HA 0.636 5.186 4.550 -0.000 0.000 0.326 373 Y C 0.868 176.744 175.900 -0.040 0.000 1.164 373 Y CA -0.307 57.790 58.100 -0.004 0.000 1.234 373 Y CB 1.709 40.186 38.460 0.029 0.000 1.219 373 Y HN 0.807 nan 8.280 nan 0.000 0.497 374 T N -1.625 112.992 114.554 0.106 0.000 2.843 374 T HA 0.355 4.705 4.350 0.000 0.000 0.302 374 T C -0.681 173.960 174.700 -0.098 0.000 1.232 374 T CA -1.340 60.737 62.100 -0.039 0.000 1.009 374 T CB 0.841 69.639 68.868 -0.118 0.000 1.254 374 T HN 0.507 nan 8.240 nan 0.000 0.504 375 N N 1.175 119.787 118.700 -0.146 0.000 3.103 375 N HA 0.283 5.023 4.740 0.000 0.000 0.305 375 N C -0.551 174.903 175.510 -0.094 0.000 1.232 375 N CA -0.109 52.879 53.050 -0.103 0.000 1.190 375 N CB -0.088 38.334 38.487 -0.108 0.000 1.461 375 N HN 0.344 nan 8.380 nan 0.000 0.538 376 K N 0.101 120.412 120.400 -0.149 0.000 2.509 376 K HA 0.611 4.931 4.320 0.000 0.000 0.266 376 K C -0.801 175.503 176.600 -0.493 0.000 0.987 376 K CA -1.051 55.105 56.287 -0.220 0.000 0.868 376 K CB 1.608 33.869 32.500 -0.398 0.000 1.421 376 K HN 0.115 nan 8.250 nan 0.000 0.444 377 A N 2.362 124.833 122.820 -0.582 0.000 2.445 377 A HA 0.303 4.623 4.320 0.000 0.000 0.242 377 A C -2.101 175.334 177.584 -0.248 0.000 1.075 377 A CA -0.724 50.740 52.037 -0.954 0.000 0.777 377 A CB -0.541 18.250 19.000 -0.349 0.000 1.013 377 A HN 0.371 nan 8.150 nan 0.000 0.493 378 P HA 0.505 nan 4.420 nan 0.000 0.275 378 P C 0.605 178.057 177.300 0.253 0.000 1.266 378 P CA 0.873 64.097 63.100 0.206 0.000 0.793 378 P CB 1.028 32.867 31.700 0.232 0.000 1.074 379 G N -1.690 107.099 108.800 -0.019 0.000 2.233 379 G HA2 0.357 4.317 3.960 0.000 0.000 0.162 379 G HA3 0.357 4.317 3.960 0.000 0.000 0.162 379 G C 0.178 174.452 174.900 -1.043 0.000 1.327 379 G CA 0.600 45.363 45.100 -0.562 0.000 1.187 379 G HN 0.896 nan 8.290 nan 0.000 0.479 380 G N -2.296 105.499 108.800 -1.675 0.000 2.697 380 G HA2 0.135 4.095 3.960 0.000 0.000 0.200 380 G HA3 0.135 4.095 3.960 0.000 0.000 0.200 380 G C 0.124 174.676 174.900 -0.581 0.000 1.106 380 G CA 0.802 45.257 45.100 -1.076 0.000 0.748 380 G HN 1.836 nan 8.290 nan 0.000 0.503 381 V N 1.578 121.231 119.914 -0.436 0.000 2.326 381 V HA 0.783 4.903 4.120 0.000 0.000 0.281 381 V C 0.425 176.347 176.094 -0.287 0.000 1.015 381 V CA 0.537 62.660 62.300 -0.296 0.000 0.823 381 V CB 0.873 32.595 31.823 -0.169 0.000 1.009 381 V HN 1.760 nan 8.190 nan 0.000 0.436 382 A N 4.578 127.250 122.820 -0.247 0.000 2.904 382 A HA 0.540 4.860 4.320 0.000 0.000 0.213 382 A C -0.969 176.561 177.584 -0.090 0.000 1.506 382 A CA -0.140 51.781 52.037 -0.193 0.000 1.486 382 A CB 0.049 18.912 19.000 -0.230 0.000 1.093 382 A HN 0.702 nan 8.150 nan 0.000 0.805 387 F N 2.468 122.395 119.950 -0.039 0.000 2.616 387 F HA -0.178 4.349 4.527 -0.000 0.000 0.399 387 F C 0.762 176.529 175.800 -0.056 0.000 1.110 387 F CA 0.146 58.114 58.000 -0.052 0.000 1.278 387 F CB -1.561 37.425 39.000 -0.023 0.000 1.799 387 F HN 0.342 nan 8.300 nan 0.000 0.784 388 R N -2.634 117.875 120.500 0.016 0.000 3.989 388 R HA -0.194 4.146 4.340 0.000 0.000 0.377 388 R C 1.076 177.421 176.300 0.075 0.000 1.158 388 R CA 0.929 57.026 56.100 -0.005 0.000 1.035 388 R CB -2.414 27.952 30.300 0.111 0.000 1.557 388 R HN 0.468 nan 8.270 nan 0.000 0.551 389 V N 0.597 120.520 119.914 0.016 0.000 2.548 389 V HA -0.194 3.926 4.120 0.000 0.000 0.249 389 V C 2.496 178.608 176.094 0.030 0.000 1.055 389 V CA 2.358 64.656 62.300 -0.004 0.000 1.065 389 V CB -0.623 31.167 31.823 -0.056 0.000 0.681 389 V HN 0.553 nan 8.190 nan 0.000 0.462 390 T N -0.572 113.988 114.554 0.010 0.000 2.720 390 T HA -0.260 4.090 4.350 0.000 0.000 0.268 390 T C 1.665 176.500 174.700 0.226 0.000 1.037 390 T CA 1.786 63.927 62.100 0.067 0.000 1.144 390 T CB -0.321 68.528 68.868 -0.031 0.000 0.864 390 T HN 0.480 nan 8.240 nan 0.000 0.444 391 E N 1.816 122.092 120.200 0.126 0.000 2.072 391 E HA 0.215 4.565 4.350 0.000 0.000 0.190 391 E C 2.594 179.513 176.600 0.533 0.000 0.982 391 E CA 1.052 57.672 56.400 0.367 0.000 0.803 391 E CB -0.698 29.082 29.700 0.132 0.000 0.755 391 E HN 0.606 nan 8.360 nan 0.000 0.453 392 A N 0.596 123.611 122.820 0.325 0.000 1.883 392 A HA -0.186 4.134 4.320 0.000 0.000 0.217 392 A C 2.478 180.103 177.584 0.069 0.000 1.186 392 A CA 1.607 53.602 52.037 -0.071 0.000 0.624 392 A CB -0.845 17.987 19.000 -0.279 0.000 0.822 392 A HN 0.152 nan 8.150 nan 0.000 0.444 393 V N -1.709 118.276 119.914 0.118 0.000 2.358 393 V HA -0.258 3.862 4.120 0.000 0.000 0.246 393 V C 2.324 178.523 176.094 0.175 0.000 1.047 393 V CA 2.023 64.395 62.300 0.120 0.000 1.035 393 V CB -1.014 30.842 31.823 0.055 0.000 0.658 393 V HN 0.682 nan 8.190 nan 0.000 0.452 394 Y N 0.361 120.734 120.300 0.122 0.000 2.128 394 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 394 Y C 2.287 178.252 175.900 0.107 0.000 1.154 394 Y CA 2.114 60.268 58.100 0.089 0.000 1.149 394 Y CB -0.200 38.297 38.460 0.062 0.000 0.976 394 Y HN 0.216 nan 8.280 nan 0.000 0.505 395 L N -0.376 121.052 121.223 0.341 0.000 1.970 395 L HA -0.205 4.135 4.340 0.000 0.000 0.212 395 L C 2.305 179.263 176.870 0.147 0.000 1.071 395 L CA 1.985 56.977 54.840 0.254 0.000 0.751 395 L CB -0.932 41.338 42.059 0.351 0.000 0.889 395 L HN 0.339 nan 8.230 nan 0.000 0.432 396 I N -0.125 120.541 120.570 0.161 0.000 2.208 396 I HA -0.247 3.923 4.170 0.000 0.000 0.245 396 I C 2.322 178.534 176.117 0.157 0.000 1.097 396 I CA 1.539 62.949 61.300 0.183 0.000 1.363 396 I CB -0.533 37.612 38.000 0.242 0.000 1.051 396 I HN 0.371 nan 8.210 nan 0.000 0.413 397 E N 0.333 120.602 120.200 0.114 0.000 2.106 397 E HA -0.149 4.201 4.350 0.000 0.000 0.192 397 E C 2.316 178.903 176.600 -0.022 0.000 0.984 397 E CA 0.679 57.120 56.400 0.069 0.000 0.806 397 E CB -0.331 29.389 29.700 0.034 0.000 0.750 397 E HN 0.427 nan 8.360 nan 0.000 0.458 398 R N 0.107 120.549 120.500 -0.097 0.000 2.075 398 R HA 0.021 4.361 4.340 0.000 0.000 0.232 398 R C 2.207 178.490 176.300 -0.028 0.000 1.126 398 R CA 0.798 56.827 56.100 -0.118 0.000 0.963 398 R CB -0.525 29.644 30.300 -0.218 0.000 0.858 398 R HN 0.231 nan 8.270 nan 0.000 0.435 399 M N 0.287 119.893 119.600 0.009 0.000 2.117 399 M HA -0.099 4.381 4.480 0.000 0.000 0.262 399 M C 2.401 178.707 176.300 0.009 0.000 1.065 399 M CA 1.204 56.525 55.300 0.035 0.000 1.114 399 M CB -1.041 31.609 32.600 0.083 0.000 1.361 399 M HN -0.133 nan 8.290 nan 0.000 0.408 400 V N 0.686 120.591 119.914 -0.015 0.000 2.407 400 V HA -0.264 3.856 4.120 0.000 0.000 0.248 400 V C 1.967 178.025 176.094 -0.059 0.000 1.055 400 V CA 1.799 64.048 62.300 -0.084 0.000 1.049 400 V CB -0.776 30.953 31.823 -0.157 0.000 0.662 400 V HN 0.336 nan 8.190 nan 0.000 0.455 401 D N -0.054 120.329 120.400 -0.027 0.000 2.117 401 D HA -0.119 4.521 4.640 0.000 0.000 0.197 401 D C 2.183 178.483 176.300 0.000 0.000 0.987 401 D CA 1.216 55.209 54.000 -0.011 0.000 0.829 401 D CB -0.311 40.490 40.800 0.001 0.000 0.961 401 D HN 0.310 nan 8.370 nan 0.000 0.460 402 V N 1.089 121.009 119.914 0.009 0.000 2.343 402 V HA -0.214 3.906 4.120 0.000 0.000 0.247 402 V C 2.460 178.562 176.094 0.013 0.000 1.051 402 V CA 1.140 63.453 62.300 0.023 0.000 1.036 402 V CB -0.444 31.401 31.823 0.037 0.000 0.654 402 V HN 0.151 nan 8.190 nan 0.000 0.451 403 L N 0.819 122.042 121.223 -0.001 0.000 2.093 403 L HA -0.014 4.326 4.340 0.000 0.000 0.208 403 L C 2.405 179.260 176.870 -0.025 0.000 1.085 403 L CA 2.233 57.065 54.840 -0.013 0.000 0.755 403 L CB -0.907 41.132 42.059 -0.034 0.000 0.904 403 L HN 0.198 nan 8.230 nan 0.000 0.435 404 A N -0.925 121.875 122.820 -0.033 0.000 1.877 404 A HA -0.253 4.067 4.320 0.000 0.000 0.216 404 A C 2.205 179.783 177.584 -0.010 0.000 1.186 404 A CA 1.860 53.878 52.037 -0.032 0.000 0.620 404 A CB -0.604 18.375 19.000 -0.034 0.000 0.822 404 A HN 0.650 nan 8.150 nan 0.000 0.443 405 Q N -0.800 119.001 119.800 0.002 0.000 2.167 405 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 405 Q C 2.152 178.159 176.000 0.011 0.000 0.970 405 Q CA 1.624 57.434 55.803 0.012 0.000 0.855 405 Q CB -0.158 28.593 28.738 0.022 0.000 0.911 405 Q HN 0.736 nan 8.270 nan 0.000 0.438 406 K N 0.906 121.311 120.400 0.008 0.000 2.097 406 K HA -0.095 4.225 4.320 0.000 0.000 0.205 406 K C 1.637 178.238 176.600 0.002 0.000 1.050 406 K CA 0.820 57.113 56.287 0.009 0.000 0.938 406 K CB 0.114 32.621 32.500 0.013 0.000 0.718 406 K HN 0.163 nan 8.250 nan 0.000 0.442 407 L N 0.665 121.885 121.223 -0.005 0.000 2.558 407 L HA 0.033 4.373 4.340 0.000 0.000 0.225 407 L C 0.382 177.248 176.870 -0.007 0.000 1.128 407 L CA -0.033 54.800 54.840 -0.010 0.000 0.868 407 L CB -0.367 41.679 42.059 -0.022 0.000 1.006 407 L HN 0.365 nan 8.230 nan 0.000 0.454 408 N N 0.829 119.527 118.700 -0.002 0.000 2.754 408 N HA -0.250 4.490 4.740 0.000 0.000 0.248 408 N C -0.245 175.264 175.510 -0.002 0.000 1.093 408 N CA 0.705 53.756 53.050 0.001 0.000 0.699 408 N CB -0.880 37.609 38.487 0.002 0.000 1.016 408 N HN 0.381 nan 8.380 nan 0.000 0.552 409 M N 0.227 119.823 119.600 -0.006 0.000 2.364 409 M HA 0.266 4.746 4.480 0.000 0.000 0.334 409 M C -0.252 176.047 176.300 -0.001 0.000 1.107 409 M CA -0.812 54.482 55.300 -0.010 0.000 0.988 409 M CB 0.940 33.523 32.600 -0.028 0.000 1.673 409 M HN 0.203 nan 8.290 nan 0.000 0.441 410 D N 2.928 123.336 120.400 0.014 0.000 2.493 410 D HA -0.009 4.631 4.640 0.000 0.000 0.240 410 D C 0.568 176.882 176.300 0.022 0.000 1.142 410 D CA 0.729 54.759 54.000 0.049 0.000 0.872 410 D CB 0.945 41.797 40.800 0.087 0.000 1.173 410 D HN 0.607 nan 8.370 nan 0.000 0.467 411 K N 2.677 123.106 120.400 0.048 0.000 2.281 411 K HA -0.144 4.176 4.320 0.000 0.000 0.203 411 K C 1.614 178.176 176.600 -0.063 0.000 1.046 411 K CA 1.159 57.447 56.287 0.001 0.000 0.938 411 K CB 0.037 32.560 32.500 0.039 0.000 0.737 411 K HN 0.500 nan 8.250 nan 0.000 0.458 412 A N 1.006 123.772 122.820 -0.089 0.000 1.903 412 A HA -0.112 4.208 4.320 0.000 0.000 0.213 412 A C 2.022 179.499 177.584 -0.178 0.000 1.185 412 A CA 0.837 52.751 52.037 -0.206 0.000 0.628 412 A CB -0.205 18.534 19.000 -0.436 0.000 0.830 412 A HN 0.290 nan 8.150 nan 0.000 0.446 413 E N -0.157 119.977 120.200 -0.109 0.000 2.077 413 E HA -0.187 4.163 4.350 0.000 0.000 0.193 413 E C 1.825 178.342 176.600 -0.137 0.000 0.989 413 E CA 1.305 57.650 56.400 -0.091 0.000 0.800 413 E CB -0.174 29.504 29.700 -0.038 0.000 0.746 413 E HN 0.624 nan 8.360 nan 0.000 0.452 414 I N 0.295 120.776 120.570 -0.149 0.000 2.493 414 I HA -0.230 3.940 4.170 0.000 0.000 0.254 414 I C 2.293 178.223 176.117 -0.312 0.000 1.160 414 I CA 0.855 62.040 61.300 -0.190 0.000 1.445 414 I CB 0.047 37.948 38.000 -0.165 0.000 1.086 414 I HN 0.060 nan 8.210 nan 0.000 0.433 415 R N 0.373 120.647 120.500 -0.375 0.000 2.062 415 R HA -0.007 4.333 4.340 0.000 0.000 0.226 415 R C 2.406 178.062 176.300 -1.073 0.000 1.125 415 R CA 1.266 57.002 56.100 -0.607 0.000 0.966 415 R CB -0.450 29.580 30.300 -0.448 0.000 0.861 415 R HN 0.382 nan 8.270 nan 0.000 0.433 416 A N 1.547 123.903 122.820 -0.773 0.000 1.978 416 A HA -0.222 4.098 4.320 0.000 0.000 0.220 416 A C 2.028 179.549 177.584 -0.105 0.000 1.170 416 A CA 1.537 53.291 52.037 -0.472 0.000 0.636 416 A CB -0.356 18.631 19.000 -0.022 0.000 0.810 416 A HN 0.225 nan 8.150 nan 0.000 0.448 417 K N -0.681 119.634 120.400 -0.143 0.000 2.217 417 K HA -0.059 4.261 4.320 0.000 0.000 0.202 417 K C 1.073 177.651 176.600 -0.035 0.000 1.051 417 K CA 1.273 57.532 56.287 -0.046 0.000 0.952 417 K CB -0.086 32.368 32.500 -0.078 0.000 0.736 417 K HN 0.461 nan 8.250 nan 0.000 0.453 418 N N -0.182 118.450 118.700 -0.114 0.000 2.254 418 N HA 0.009 4.749 4.740 0.000 0.000 0.190 418 N C -0.360 175.306 175.510 0.259 0.000 1.107 418 N CA 0.017 53.065 53.050 -0.004 0.000 0.869 418 N CB 0.289 38.661 38.487 -0.191 0.000 0.983 418 N HN -0.031 nan 8.380 nan 0.000 0.487 419 F N 1.806 121.864 119.950 0.180 0.000 2.626 419 F HA 0.047 4.574 4.527 0.000 0.000 0.354 419 F C 1.325 177.106 175.800 -0.032 0.000 1.168 419 F CA -0.596 57.457 58.000 0.088 0.000 1.368 419 F CB 0.126 38.974 39.000 -0.253 0.000 1.092 419 F HN -0.172 nan 8.300 nan 0.000 0.612 420 I N 4.172 124.767 120.570 0.042 0.000 2.416 420 I HA 0.141 4.311 4.170 0.000 0.000 0.288 420 I C 0.548 176.450 176.117 -0.357 0.000 1.051 420 I CA -0.297 60.739 61.300 -0.440 0.000 1.375 420 I CB 0.449 37.890 38.000 -0.932 0.000 1.407 420 I HN 0.405 nan 8.210 nan 0.000 0.516 421 R N 4.961 125.317 120.500 -0.239 0.000 2.641 421 R HA 0.079 4.419 4.340 0.000 0.000 0.269 421 R C 1.313 177.532 176.300 -0.135 0.000 1.074 421 R CA -0.502 55.554 56.100 -0.073 0.000 1.133 421 R CB 0.695 30.970 30.300 -0.042 0.000 1.029 421 R HN 0.545 nan 8.270 nan 0.000 0.488 422 K N 2.017 122.418 120.400 0.002 0.000 2.089 422 K HA -0.251 4.069 4.320 0.000 0.000 0.210 422 K C 1.026 177.706 176.600 0.134 0.000 1.048 422 K CA 2.368 58.714 56.287 0.098 0.000 0.926 422 K CB 0.136 32.648 32.500 0.021 0.000 0.714 422 K HN 0.605 nan 8.250 nan 0.000 0.448 423 E N 0.170 120.385 120.200 0.025 0.000 2.418 423 E HA -0.146 4.204 4.350 0.000 0.000 0.197 423 E C 1.564 178.156 176.600 -0.013 0.000 1.026 423 E CA 0.774 57.184 56.400 0.017 0.000 0.862 423 E CB -0.015 29.680 29.700 -0.007 0.000 0.799 423 E HN 0.431 nan 8.360 nan 0.000 0.518 424 Q N -0.204 119.522 119.800 -0.123 0.000 2.432 424 Q HA 0.085 4.425 4.340 0.000 0.000 0.205 424 Q C -0.361 175.530 176.000 -0.182 0.000 0.945 424 Q CA 0.096 55.777 55.803 -0.204 0.000 0.924 424 Q CB 0.133 28.632 28.738 -0.398 0.000 1.016 424 Q HN 0.262 nan 8.270 nan 0.000 0.503 425 F N 2.355 122.295 119.950 -0.017 0.000 2.399 425 F HA 0.194 4.721 4.527 0.000 0.000 0.342 425 F C -1.578 174.247 175.800 0.042 0.000 1.106 425 F CA -2.713 55.304 58.000 0.027 0.000 1.196 425 F CB 0.192 39.183 39.000 -0.015 0.000 1.163 425 F HN -0.049 nan 8.300 nan 0.000 0.547 426 P HA -0.040 nan 4.420 nan 0.000 0.271 426 P C -1.309 176.093 177.300 0.172 0.000 1.233 426 P CA 0.053 63.321 63.100 0.280 0.000 0.764 426 P CB 0.229 32.046 31.700 0.196 0.000 0.825 427 Y N 2.996 123.287 120.300 -0.014 0.000 2.341 427 Y HA 0.286 4.836 4.550 -0.000 0.000 0.340 427 Y C -0.161 175.640 175.900 -0.165 0.000 0.997 427 Y CA -0.277 57.674 58.100 -0.248 0.000 1.149 427 Y CB 0.996 39.051 38.460 -0.675 0.000 1.171 427 Y HN 0.215 nan 8.280 nan 0.000 0.494 428 T N 5.921 120.035 114.554 -0.733 0.000 2.743 428 T HA 0.262 4.612 4.350 0.000 0.000 0.293 428 T C 0.236 174.346 174.700 -0.983 0.000 0.945 428 T CA -0.428 61.324 62.100 -0.579 0.000 1.030 428 T CB 0.276 68.978 68.868 -0.277 0.000 0.912 428 T HN 0.778 nan 8.240 nan 0.000 0.483 429 T N 0.933 115.131 114.554 -0.593 0.000 2.770 429 T HA 0.151 4.501 4.350 0.000 0.000 0.281 429 T C 1.649 176.263 174.700 -0.143 0.000 0.981 429 T CA -0.822 61.066 62.100 -0.353 0.000 0.955 429 T CB 0.684 69.609 68.868 0.093 0.000 1.060 429 T HN 0.649 nan 8.240 nan 0.000 0.531 430 Q N -0.387 119.349 119.800 -0.107 0.000 2.291 430 Q HA -0.070 4.270 4.340 0.000 0.000 0.206 430 Q C 1.197 177.064 176.000 -0.221 0.000 0.976 430 Q CA 1.379 57.059 55.803 -0.204 0.000 0.875 430 Q CB -0.535 28.009 28.738 -0.322 0.000 0.927 430 Q HN 0.688 nan 8.270 nan 0.000 0.450 431 F N 0.234 120.274 119.950 0.149 0.000 2.754 431 F HA 0.336 4.863 4.527 0.000 0.000 0.297 431 F C 1.591 177.460 175.800 0.114 0.000 1.122 431 F CA 0.637 58.759 58.000 0.204 0.000 1.400 431 F CB 0.840 40.060 39.000 0.367 0.000 1.117 431 F HN 0.299 nan 8.300 nan 0.000 0.587 432 G N -0.710 108.201 108.800 0.185 0.000 2.184 432 G HA2 -0.242 3.718 3.960 0.000 0.000 0.206 432 G HA3 -0.242 3.718 3.960 0.000 0.000 0.206 432 G C 0.181 175.088 174.900 0.010 0.000 0.995 432 G CA -0.713 44.418 45.100 0.053 0.000 0.651 432 G HN 0.093 nan 8.290 nan 0.000 0.511 433 F N 1.483 121.553 119.950 0.201 0.000 2.429 433 F HA 0.517 5.044 4.527 0.000 0.000 0.348 433 F C 0.992 176.903 175.800 0.186 0.000 1.109 433 F CA -0.098 58.049 58.000 0.245 0.000 1.232 433 F CB 1.155 40.370 39.000 0.358 0.000 1.157 433 F HN 0.094 nan 8.300 nan 0.000 0.564 434 E N 3.424 123.857 120.200 0.387 0.000 2.103 434 E HA 0.166 4.516 4.350 0.000 0.000 0.254 434 E C -1.321 175.288 176.600 0.015 0.000 0.940 434 E CA -0.691 55.822 56.400 0.190 0.000 0.771 434 E CB 0.187 29.982 29.700 0.158 0.000 1.153 434 E HN 0.390 nan 8.360 nan 0.000 0.428 435 Y N 3.156 123.211 120.300 -0.407 0.000 2.721 435 Y HA -0.103 4.447 4.550 0.000 0.000 0.329 435 Y C 1.468 177.296 175.900 -0.121 0.000 1.211 435 Y CA -0.309 57.340 58.100 -0.751 0.000 1.512 435 Y CB 0.304 38.808 38.460 0.074 0.000 1.249 435 Y HN 0.627 nan 8.280 nan 0.000 0.549 436 D N 0.266 120.705 120.400 0.064 0.000 2.084 436 D HA -0.072 4.568 4.640 0.000 0.000 0.196 436 D C 0.227 176.609 176.300 0.136 0.000 0.985 436 D CA 1.432 55.606 54.000 0.291 0.000 0.826 436 D CB -0.114 40.981 40.800 0.491 0.000 0.978 436 D HN 0.366 nan 8.370 nan 0.000 0.456 437 S N -2.831 112.772 115.700 -0.162 0.000 2.595 437 S HA 0.678 5.148 4.470 0.000 0.000 0.270 437 S C -0.430 173.458 174.600 -1.187 0.000 1.145 437 S CA -0.469 57.343 58.200 -0.647 0.000 0.825 437 S CB 1.849 64.911 63.200 -0.229 0.000 1.107 437 S HN 0.864 nan 8.310 nan 0.000 0.461 438 G N -0.283 107.614 108.800 -1.505 0.000 2.387 438 G HA2 0.508 4.468 3.960 0.000 0.000 0.294 438 G HA3 0.508 4.468 3.960 0.000 0.000 0.294 438 G C -2.406 171.977 174.900 -0.861 0.000 1.509 438 G CA -0.315 44.060 45.100 -1.207 0.000 0.806 438 G HN 0.847 nan 8.290 nan 0.000 0.546 439 D N -0.399 119.487 120.400 -0.858 0.000 2.934 439 D HA 0.209 4.849 4.640 0.000 0.000 0.249 439 D C 0.224 176.249 176.300 -0.459 0.000 1.293 439 D CA -0.545 53.193 54.000 -0.436 0.000 0.812 439 D CB 0.086 40.830 40.800 -0.093 0.000 1.439 439 D HN 0.189 nan 8.370 nan 0.000 0.555 440 Y N 0.549 120.368 120.300 -0.803 0.000 2.200 440 Y HA -0.072 4.478 4.550 -0.000 0.000 0.290 440 Y C 2.065 177.574 175.900 -0.653 0.000 1.137 440 Y CA 1.116 58.584 58.100 -1.054 0.000 1.163 440 Y CB -1.056 36.274 38.460 -1.884 0.000 0.988 440 Y HN 0.481 nan 8.280 nan 0.000 0.518 441 H N -0.795 118.185 119.070 -0.149 0.000 2.290 441 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 441 H C 2.214 177.590 175.328 0.080 0.000 1.087 441 H CA 2.438 58.555 56.048 0.114 0.000 1.291 441 H CB -0.504 29.329 29.762 0.119 0.000 1.369 441 H HN 0.181 nan 8.280 nan 0.000 0.492 442 T N 0.166 114.815 114.554 0.158 0.000 2.746 442 T HA -0.180 4.170 4.350 0.000 0.000 0.267 442 T C 2.313 177.080 174.700 0.112 0.000 1.039 442 T CA 1.150 63.318 62.100 0.113 0.000 1.142 442 T CB -0.471 68.447 68.868 0.082 0.000 0.866 442 T HN 0.506 nan 8.240 nan 0.000 0.444 443 A N 1.179 124.079 122.820 0.133 0.000 1.898 443 A HA 0.033 4.353 4.320 0.000 0.000 0.216 443 A C 2.231 179.891 177.584 0.128 0.000 1.181 443 A CA 1.154 53.287 52.037 0.161 0.000 0.620 443 A CB -0.759 18.421 19.000 0.299 0.000 0.819 443 A HN 0.397 nan 8.150 nan 0.000 0.442 444 L N 0.150 121.450 121.223 0.128 0.000 1.994 444 L HA -0.136 4.204 4.340 0.000 0.000 0.208 444 L C 2.295 179.209 176.870 0.073 0.000 1.071 444 L CA 2.714 57.635 54.840 0.134 0.000 0.745 444 L CB -0.625 41.596 42.059 0.269 0.000 0.892 444 L HN 0.448 nan 8.230 nan 0.000 0.431 445 K N -0.527 119.928 120.400 0.091 0.000 2.152 445 K HA -0.262 4.058 4.320 0.000 0.000 0.206 445 K C 2.312 178.927 176.600 0.025 0.000 1.048 445 K CA 1.681 57.998 56.287 0.051 0.000 0.933 445 K CB -0.122 32.419 32.500 0.069 0.000 0.721 445 K HN 0.332 nan 8.250 nan 0.000 0.447 446 K N 0.179 120.605 120.400 0.043 0.000 2.057 446 K HA -0.105 4.215 4.320 0.000 0.000 0.207 446 K C 1.860 178.451 176.600 -0.016 0.000 1.049 446 K CA 1.335 57.641 56.287 0.032 0.000 0.931 446 K CB 0.114 32.653 32.500 0.064 0.000 0.714 446 K HN -0.003 nan 8.250 nan 0.000 0.440 447 V N 1.649 121.553 119.914 -0.017 0.000 2.323 447 V HA -0.230 3.890 4.120 0.000 0.000 0.244 447 V C 2.261 178.223 176.094 -0.221 0.000 1.041 447 V CA 1.481 63.694 62.300 -0.146 0.000 1.025 447 V CB -0.363 31.462 31.823 0.004 0.000 0.656 447 V HN 0.309 nan 8.190 nan 0.000 0.451 448 L N -0.082 121.069 121.223 -0.120 0.000 2.079 448 L HA -0.218 4.122 4.340 0.000 0.000 0.210 448 L C 2.321 179.167 176.870 -0.041 0.000 1.081 448 L CA 1.637 56.421 54.840 -0.093 0.000 0.752 448 L CB -0.797 41.182 42.059 -0.133 0.000 0.896 448 L HN 0.346 nan 8.230 nan 0.000 0.433 449 D N 0.246 120.615 120.400 -0.052 0.000 2.097 449 D HA -0.120 4.520 4.640 0.000 0.000 0.197 449 D C 2.285 178.547 176.300 -0.063 0.000 0.984 449 D CA 1.487 55.469 54.000 -0.030 0.000 0.826 449 D CB -0.131 40.661 40.800 -0.013 0.000 0.973 449 D HN 0.265 nan 8.370 nan 0.000 0.460 450 A N 0.501 123.236 122.820 -0.142 0.000 1.978 450 A HA -0.133 4.187 4.320 0.000 0.000 0.220 450 A C 2.201 179.676 177.584 -0.183 0.000 1.170 450 A CA 1.927 53.856 52.037 -0.180 0.000 0.636 450 A CB -0.537 18.269 19.000 -0.325 0.000 0.810 450 A HN 0.267 nan 8.150 nan 0.000 0.448 451 V N -3.988 115.791 119.914 -0.224 0.000 3.647 451 V HA 0.209 4.329 4.120 0.000 0.000 0.279 451 V C 0.429 176.513 176.094 -0.016 0.000 1.314 451 V CA 0.637 62.875 62.300 -0.103 0.000 1.125 451 V CB -0.374 31.389 31.823 -0.100 0.000 0.907 451 V HN 0.476 nan 8.190 nan 0.000 0.434 452 D N -0.125 120.272 120.400 -0.004 0.000 2.746 452 D HA -0.309 4.331 4.640 0.000 0.000 0.241 452 D C 0.341 176.672 176.300 0.052 0.000 1.140 452 D CA 0.899 54.913 54.000 0.024 0.000 0.707 452 D CB -1.541 39.263 40.800 0.006 0.000 1.034 452 D HN 0.718 nan 8.370 nan 0.000 0.423 453 Y N 1.137 121.407 120.300 -0.050 0.000 2.102 453 Y HA -0.156 4.394 4.550 -0.000 0.000 0.280 453 Y C -0.782 175.101 175.900 -0.030 0.000 1.178 453 Y CA 2.659 60.735 58.100 -0.041 0.000 1.146 453 Y CB -0.830 37.607 38.460 -0.038 0.000 0.968 453 Y HN 0.300 nan 8.280 nan 0.000 0.504 454 P HA -0.235 nan 4.420 nan 0.000 0.215 454 P C 1.421 178.649 177.300 -0.119 0.000 1.157 454 P CA 2.466 65.525 63.100 -0.067 0.000 0.868 454 P CB -0.384 31.331 31.700 0.024 0.000 0.788 455 A N -0.289 122.489 122.820 -0.071 0.000 1.940 455 A HA -0.174 4.146 4.320 0.000 0.000 0.219 455 A C 2.261 179.783 177.584 -0.103 0.000 1.176 455 A CA 1.451 53.447 52.037 -0.068 0.000 0.631 455 A CB -1.540 17.438 19.000 -0.037 0.000 0.814 455 A HN 0.066 nan 8.150 nan 0.000 0.446 456 L N -0.328 120.811 121.223 -0.140 0.000 2.017 456 L HA -0.120 4.220 4.340 0.000 0.000 0.208 456 L C 2.592 179.333 176.870 -0.214 0.000 1.073 456 L CA 1.663 56.405 54.840 -0.163 0.000 0.745 456 L CB -0.912 41.042 42.059 -0.176 0.000 0.894 456 L HN 0.303 nan 8.230 nan 0.000 0.432 457 R N -0.704 119.601 120.500 -0.326 0.000 2.120 457 R HA -0.044 4.296 4.340 0.000 0.000 0.234 457 R C 2.092 178.288 176.300 -0.173 0.000 1.123 457 R CA 1.233 57.162 56.100 -0.286 0.000 0.975 457 R CB -0.902 29.185 30.300 -0.355 0.000 0.866 457 R HN 0.402 nan 8.270 nan 0.000 0.446 458 A N 0.893 123.628 122.820 -0.141 0.000 1.897 458 A HA -0.159 4.161 4.320 0.000 0.000 0.215 458 A C 2.107 179.639 177.584 -0.088 0.000 1.181 458 A CA 1.314 53.293 52.037 -0.096 0.000 0.620 458 A CB -0.347 18.609 19.000 -0.074 0.000 0.821 458 A HN 0.390 nan 8.150 nan 0.000 0.443 459 E N -0.413 119.733 120.200 -0.090 0.000 2.110 459 E HA -0.276 4.074 4.350 0.000 0.000 0.193 459 E C 2.181 178.727 176.600 -0.089 0.000 0.988 459 E CA 1.379 57.734 56.400 -0.076 0.000 0.804 459 E CB -0.157 29.503 29.700 -0.066 0.000 0.745 459 E HN 0.779 nan 8.360 nan 0.000 0.458 460 Q N -0.023 119.710 119.800 -0.113 0.000 2.079 460 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 460 Q C 2.055 177.969 176.000 -0.143 0.000 0.974 460 Q CA 1.433 57.155 55.803 -0.134 0.000 0.840 460 Q CB -0.172 28.475 28.738 -0.151 0.000 0.898 460 Q HN 0.313 nan 8.270 nan 0.000 0.430 461 A N 0.761 123.507 122.820 -0.123 0.000 1.933 461 A HA -0.087 4.233 4.320 0.000 0.000 0.218 461 A C 2.267 179.800 177.584 -0.085 0.000 1.175 461 A CA 1.613 53.587 52.037 -0.105 0.000 0.628 461 A CB -0.902 18.048 19.000 -0.084 0.000 0.814 461 A HN 0.560 nan 8.150 nan 0.000 0.444 462 A N -0.637 122.138 122.820 -0.075 0.000 1.930 462 A HA -0.122 4.198 4.320 0.000 0.000 0.217 462 A C 2.253 179.802 177.584 -0.058 0.000 1.175 462 A CA 1.583 53.586 52.037 -0.057 0.000 0.627 462 A CB -0.421 18.549 19.000 -0.049 0.000 0.815 462 A HN 0.524 nan 8.150 nan 0.000 0.443 463 R N -0.655 119.800 120.500 -0.075 0.000 2.090 463 R HA -0.009 4.331 4.340 0.000 0.000 0.228 463 R C 2.324 178.575 176.300 -0.082 0.000 1.110 463 R CA 1.051 57.107 56.100 -0.073 0.000 0.973 463 R CB -0.152 30.099 30.300 -0.082 0.000 0.869 463 R HN 0.491 nan 8.270 nan 0.000 0.440 464 R N -0.247 120.178 120.500 -0.124 0.000 2.115 464 R HA -0.027 4.313 4.340 0.000 0.000 0.230 464 R C 2.190 178.469 176.300 -0.035 0.000 1.111 464 R CA 1.152 57.175 56.100 -0.128 0.000 0.976 464 R CB -0.197 29.950 30.300 -0.256 0.000 0.870 464 R HN 0.194 nan 8.270 nan 0.000 0.445 465 A N 1.026 123.822 122.820 -0.039 0.000 2.019 465 A HA -0.142 4.178 4.320 0.000 0.000 0.219 465 A C 0.766 178.344 177.584 -0.009 0.000 1.164 465 A CA 0.970 52.997 52.037 -0.018 0.000 0.644 465 A CB -0.167 18.819 19.000 -0.024 0.000 0.805 465 A HN 0.145 nan 8.150 nan 0.000 0.449 466 D N -0.537 119.854 120.400 -0.015 0.000 2.347 466 D HA 0.250 4.890 4.640 0.000 0.000 0.235 466 D C -1.676 174.623 176.300 -0.001 0.000 1.149 466 D CA -2.292 51.703 54.000 -0.009 0.000 0.850 466 D CB 1.265 42.057 40.800 -0.014 0.000 1.061 466 D HN 0.104 nan 8.370 nan 0.000 0.487 467 P HA -0.044 nan 4.420 nan 0.000 0.234 467 P C 0.015 177.318 177.300 0.005 0.000 1.167 467 P CA 0.639 63.745 63.100 0.010 0.000 0.763 467 P CB 0.300 32.005 31.700 0.009 0.000 0.835 468 N N -1.045 117.656 118.700 0.002 0.000 2.254 468 N HA 0.048 4.788 4.740 0.000 0.000 0.190 468 N C -0.000 175.509 175.510 -0.001 0.000 1.107 468 N CA -0.194 52.857 53.050 0.002 0.000 0.869 468 N CB 0.060 38.548 38.487 0.002 0.000 0.983 468 N HN -0.097 nan 8.380 nan 0.000 0.487 469 S N 3.052 118.748 115.700 -0.006 0.000 2.737 469 S HA -0.017 4.453 4.470 0.000 0.000 0.315 469 S C -1.201 173.394 174.600 -0.009 0.000 1.236 469 S CA -0.712 57.481 58.200 -0.012 0.000 1.093 469 S CB 0.627 63.814 63.200 -0.023 0.000 0.832 469 S HN 0.297 nan 8.310 nan 0.000 0.507 470 P HA -0.056 nan 4.420 nan 0.000 0.223 470 P C 0.526 177.826 177.300 0.000 0.000 1.144 470 P CA 0.943 64.045 63.100 0.003 0.000 0.783 470 P CB -0.182 31.522 31.700 0.007 0.000 0.771 471 T N -3.161 111.386 114.554 -0.012 0.000 2.901 471 T HA 0.641 4.991 4.350 0.000 0.000 0.293 471 T C -0.579 174.093 174.700 -0.046 0.000 1.084 471 T CA -0.980 61.108 62.100 -0.020 0.000 1.008 471 T CB 1.621 70.483 68.868 -0.010 0.000 1.170 471 T HN -0.170 nan 8.240 nan 0.000 0.509 472 L N 1.564 122.746 121.223 -0.067 0.000 2.329 472 L HA 0.593 4.933 4.340 0.000 0.000 0.279 472 L C -0.118 176.704 176.870 -0.079 0.000 1.014 472 L CA -1.026 53.751 54.840 -0.104 0.000 0.814 472 L CB 1.908 43.852 42.059 -0.192 0.000 1.257 472 L HN 0.657 nan 8.230 nan 0.000 0.424 473 M N 2.066 121.609 119.600 -0.094 0.000 2.268 473 M HA 0.631 5.111 4.480 0.000 0.000 0.344 473 M C -0.397 175.866 176.300 -0.062 0.000 1.106 473 M CA -0.276 54.984 55.300 -0.066 0.000 1.010 473 M CB 1.556 34.109 32.600 -0.077 0.000 1.649 473 M HN 0.631 nan 8.290 nan 0.000 0.443 474 G N 5.616 114.409 108.800 -0.013 0.000 2.566 474 G HA2 0.719 4.679 3.960 0.000 0.000 0.311 474 G HA3 0.719 4.679 3.960 0.000 0.000 0.311 474 G C -1.491 173.426 174.900 0.027 0.000 1.322 474 G CA -0.633 44.474 45.100 0.012 0.000 0.969 474 G HN 0.781 nan 8.290 nan 0.000 0.490 475 I N 1.823 122.408 120.570 0.024 0.000 2.410 475 I HA 0.474 4.644 4.170 0.000 0.000 0.286 475 I C 0.496 176.651 176.117 0.063 0.000 1.009 475 I CA -0.742 60.582 61.300 0.041 0.000 1.111 475 I CB 2.228 40.238 38.000 0.017 0.000 1.262 475 I HN 0.553 nan 8.210 nan 0.000 0.443 476 G N 6.268 115.100 108.800 0.053 0.000 2.415 476 G HA2 0.688 4.648 3.960 0.000 0.000 0.327 476 G HA3 0.688 4.648 3.960 0.000 0.000 0.327 476 G C -1.561 173.350 174.900 0.018 0.000 1.182 476 G CA -0.405 44.718 45.100 0.039 0.000 0.924 476 G HN 0.400 nan 8.290 nan 0.000 0.470 477 L N 2.702 123.945 121.223 0.033 0.000 2.438 477 L HA 0.783 5.123 4.340 0.000 0.000 0.270 477 L C -1.202 175.697 176.870 0.047 0.000 0.972 477 L CA -0.757 54.101 54.840 0.030 0.000 0.831 477 L CB 2.333 44.405 42.059 0.022 0.000 1.273 477 L HN 0.344 nan 8.230 nan 0.000 0.405 478 V N 3.060 123.021 119.914 0.078 0.000 2.638 478 V HA 0.664 4.784 4.120 0.000 0.000 0.306 478 V C -0.475 175.715 176.094 0.161 0.000 1.052 478 V CA -0.202 62.166 62.300 0.112 0.000 0.885 478 V CB 2.353 34.225 31.823 0.082 0.000 0.999 478 V HN 0.854 nan 8.190 nan 0.000 0.424 479 T N 2.435 117.096 114.554 0.179 0.000 2.864 479 T HA 0.762 5.112 4.350 0.000 0.000 0.310 479 T C -0.840 173.867 174.700 0.011 0.000 1.040 479 T CA -0.466 61.696 62.100 0.103 0.000 0.977 479 T CB 0.600 69.647 68.868 0.298 0.000 0.976 479 T HN 0.551 nan 8.240 nan 0.000 0.459 480 F N -0.144 119.655 119.950 -0.252 0.000 2.611 480 F HA 0.907 5.434 4.527 -0.000 0.000 0.324 480 F C -0.762 174.876 175.800 -0.270 0.000 1.061 480 F CA -1.242 56.602 58.000 -0.260 0.000 0.954 480 F CB 1.339 40.220 39.000 -0.197 0.000 1.301 480 F HN 0.360 nan 8.300 nan 0.000 0.482 481 T N 1.623 116.107 114.554 -0.117 0.000 2.812 481 T HA 0.329 4.679 4.350 0.000 0.000 0.282 481 T C -0.744 173.976 174.700 0.033 0.000 0.990 481 T CA -0.576 61.468 62.100 -0.094 0.000 0.960 481 T CB 1.687 70.561 68.868 0.009 0.000 0.948 481 T HN 0.572 nan 8.240 nan 0.000 0.438 482 E N 1.160 121.375 120.200 0.024 0.000 2.267 482 E HA 0.587 4.937 4.350 0.000 0.000 0.258 482 E C -1.043 175.415 176.600 -0.235 0.000 1.074 482 E CA -0.706 55.683 56.400 -0.020 0.000 0.915 482 E CB 2.189 31.924 29.700 0.058 0.000 1.186 482 E HN 0.361 nan 8.360 nan 0.000 0.439 483 V N 2.459 122.161 119.914 -0.353 0.000 2.568 483 V HA 0.298 4.418 4.120 0.000 0.000 0.276 483 V C -1.090 174.797 176.094 -0.345 0.000 1.002 483 V CA -0.436 61.455 62.300 -0.682 0.000 0.879 483 V CB 1.011 32.222 31.823 -1.021 0.000 1.040 483 V HN 0.401 nan 8.190 nan 0.000 0.457 484 V N 2.741 122.569 119.914 -0.145 0.000 2.914 484 V HA 1.082 5.202 4.120 0.000 0.000 0.314 484 V C 0.524 176.745 176.094 0.212 0.000 1.084 484 V CA -0.146 62.207 62.300 0.088 0.000 0.963 484 V CB 1.528 33.366 31.823 0.024 0.000 1.025 484 V HN 2.019 nan 8.190 nan 0.000 0.432 485 G N 1.304 110.236 108.800 0.221 0.000 2.468 485 G HA2 0.286 4.246 3.960 0.000 0.000 0.143 485 G HA3 0.286 4.246 3.960 0.000 0.000 0.143 485 G C 0.251 175.112 174.900 -0.066 0.000 1.065 485 G CA -0.062 45.094 45.100 0.095 0.000 0.776 485 G HN 2.228 nan 8.290 nan 0.000 0.486 486 A N -0.218 122.682 122.820 0.133 0.000 2.550 486 A HA 0.547 4.867 4.320 0.000 0.000 0.263 486 A C 1.514 178.992 177.584 -0.177 0.000 1.065 486 A CA 1.848 53.916 52.037 0.051 0.000 0.786 486 A CB 0.061 19.276 19.000 0.358 0.000 0.985 486 A HN 2.006 nan 8.150 nan 0.000 0.518 487 G N 2.539 111.074 108.800 -0.441 0.000 3.361 487 G HA2 0.299 4.259 3.960 0.000 0.000 0.200 487 G HA3 0.299 4.259 3.960 0.000 0.000 0.200 487 G C -2.456 172.337 174.900 -0.179 0.000 1.355 487 G CA -0.238 44.713 45.100 -0.248 0.000 0.798 487 G HN 0.512 nan 8.290 nan 0.000 0.803 488 P HA -0.036 nan 4.420 nan 0.000 0.243 488 P C 1.236 178.529 177.300 -0.012 0.000 1.107 488 P CA 1.218 64.258 63.100 -0.099 0.000 0.848 488 P CB 0.585 32.244 31.700 -0.068 0.000 0.771 489 S N 3.825 119.533 115.700 0.013 0.000 2.440 489 S HA -0.255 4.215 4.470 0.000 0.000 0.238 489 S C 1.731 176.365 174.600 0.057 0.000 1.010 489 S CA 1.114 59.349 58.200 0.057 0.000 0.972 489 S CB -0.574 62.677 63.200 0.085 0.000 0.774 489 S HN 0.427 nan 8.310 nan 0.000 0.501 490 K N 1.405 121.833 120.400 0.047 0.000 2.097 490 K HA -0.095 4.225 4.320 0.000 0.000 0.206 490 K C 2.220 178.877 176.600 0.094 0.000 1.049 490 K CA 1.736 58.057 56.287 0.056 0.000 0.933 490 K CB -0.215 32.313 32.500 0.047 0.000 0.717 490 K HN 0.774 nan 8.250 nan 0.000 0.442 491 M N -2.102 117.582 119.600 0.140 0.000 2.538 491 M HA 0.273 4.753 4.480 0.000 0.000 0.259 491 M C -0.108 176.386 176.300 0.323 0.000 1.217 491 M CA -0.250 55.203 55.300 0.256 0.000 1.131 491 M CB 0.824 33.636 32.600 0.354 0.000 1.382 491 M HN -0.177 nan 8.290 nan 0.000 0.520 492 C N 3.287 122.701 119.300 0.191 0.000 2.298 492 C HA 0.780 5.240 4.460 0.000 0.000 0.323 492 C C -0.927 174.113 174.990 0.084 0.000 1.284 492 C CA -1.010 58.094 59.018 0.143 0.000 1.577 492 C CB 0.281 28.052 27.740 0.052 0.000 2.249 492 C HN 0.658 nan 8.230 nan 0.000 0.497 493 D N 2.243 122.689 120.400 0.077 0.000 2.803 493 D HA 0.270 4.910 4.640 0.000 0.000 0.218 493 D C -1.518 174.810 176.300 0.047 0.000 1.245 493 D CA -0.440 53.594 54.000 0.057 0.000 0.821 493 D CB 1.271 42.106 40.800 0.058 0.000 1.626 493 D HN 0.198 nan 8.370 nan 0.000 0.487 494 I N 2.675 123.276 120.570 0.051 0.000 2.328 494 I HA 0.210 4.380 4.170 0.000 0.000 0.287 494 I C 1.234 177.384 176.117 0.055 0.000 1.012 494 I CA -0.616 60.718 61.300 0.056 0.000 1.195 494 I CB 0.630 38.681 38.000 0.085 0.000 1.350 494 I HN 0.665 nan 8.210 nan 0.000 0.464 495 L N 6.812 128.058 121.223 0.039 0.000 3.737 495 L HA -0.325 4.015 4.340 0.000 0.000 0.418 495 L C 1.201 178.091 176.870 0.034 0.000 1.216 495 L CA 0.747 55.607 54.840 0.033 0.000 0.915 495 L CB -1.868 40.217 42.059 0.042 0.000 1.834 495 L HN 1.037 nan 8.230 nan 0.000 0.943 496 G N -2.036 106.782 108.800 0.031 0.000 2.195 496 G HA2 -0.267 3.693 3.960 0.000 0.000 0.246 496 G HA3 -0.267 3.693 3.960 0.000 0.000 0.246 496 G C 0.140 175.067 174.900 0.046 0.000 0.984 496 G CA -0.001 45.117 45.100 0.029 0.000 0.633 496 G HN 0.294 nan 8.290 nan 0.000 0.525 497 V N 2.050 122.000 119.914 0.060 0.000 2.406 497 V HA 0.632 4.752 4.120 0.000 0.000 0.272 497 V C 1.432 177.575 176.094 0.082 0.000 1.043 497 V CA -0.196 62.153 62.300 0.082 0.000 0.915 497 V CB 1.009 32.884 31.823 0.086 0.000 0.988 497 V HN 0.810 nan 8.190 nan 0.000 0.466 498 G N 4.639 113.543 108.800 0.172 0.000 2.391 498 G HA2 0.127 4.087 3.960 0.000 0.000 0.234 498 G HA3 0.127 4.087 3.960 0.000 0.000 0.234 498 G C 0.351 175.281 174.900 0.050 0.000 1.284 498 G CA -0.429 44.786 45.100 0.192 0.000 0.873 498 G HN 0.743 nan 8.290 nan 0.000 0.549 499 M N 3.196 122.804 119.600 0.013 0.000 3.742 499 M HA 0.203 4.683 4.480 0.000 0.000 0.197 499 M C -0.123 176.135 176.300 -0.070 0.000 1.417 499 M CA -0.099 55.149 55.300 -0.087 0.000 1.653 499 M CB -0.762 31.823 32.600 -0.025 0.000 1.079 499 M HN 0.551 nan 8.290 nan 0.000 0.558 500 F N -2.167 117.811 119.950 0.046 0.000 2.362 500 F HA 0.820 5.347 4.527 -0.000 0.000 0.340 500 F C -0.012 175.826 175.800 0.064 0.000 1.088 500 F CA -0.956 57.071 58.000 0.046 0.000 1.096 500 F CB 0.588 39.631 39.000 0.073 0.000 1.486 500 F HN 0.028 nan 8.300 nan 0.000 0.500 501 D N -1.510 119.140 120.400 0.416 0.000 2.671 501 D HA 0.413 5.053 4.640 0.000 0.000 0.273 501 D C -1.768 174.602 176.300 0.118 0.000 1.264 501 D CA -0.229 53.881 54.000 0.184 0.000 0.788 501 D CB 2.530 43.335 40.800 0.008 0.000 1.324 501 D HN 0.832 nan 8.370 nan 0.000 0.424 502 S N -0.732 114.881 115.700 -0.145 0.000 2.697 502 S HA 0.768 5.238 4.470 0.000 0.000 0.289 502 S C -1.143 173.306 174.600 -0.253 0.000 1.149 502 S CA -0.698 57.277 58.200 -0.375 0.000 0.850 502 S CB 2.098 64.607 63.200 -1.152 0.000 1.151 502 S HN 0.660 nan 8.310 nan 0.000 0.491 503 C N 0.730 119.904 119.300 -0.209 0.000 2.931 503 C HA 0.725 5.185 4.460 0.000 0.000 0.370 503 C C -1.448 173.506 174.990 -0.060 0.000 1.071 503 C CA -0.098 58.841 59.018 -0.132 0.000 1.266 503 C CB 0.511 28.156 27.740 -0.159 0.000 1.691 503 C HN 1.130 nan 8.230 nan 0.000 0.511 504 E N 5.123 125.306 120.200 -0.028 0.000 2.165 504 E HA 0.741 5.091 4.350 0.000 0.000 0.266 504 E C -1.191 175.415 176.600 0.010 0.000 0.889 504 E CA -0.457 55.952 56.400 0.015 0.000 0.756 504 E CB 1.030 30.758 29.700 0.046 0.000 1.131 504 E HN 0.723 nan 8.360 nan 0.000 0.411 505 I N 4.087 124.662 120.570 0.008 0.000 2.474 505 I HA 0.478 4.648 4.170 0.000 0.000 0.294 505 I C -0.280 175.840 176.117 0.005 0.000 1.005 505 I CA -0.913 60.385 61.300 -0.004 0.000 1.113 505 I CB 1.953 39.941 38.000 -0.019 0.000 1.289 505 I HN 0.420 nan 8.210 nan 0.000 0.436 506 R N 5.781 126.272 120.500 -0.014 0.000 2.483 506 R HA 0.569 4.909 4.340 0.000 0.000 0.303 506 R C -1.647 174.590 176.300 -0.105 0.000 0.987 506 R CA -0.709 55.390 56.100 -0.002 0.000 0.881 506 R CB 1.295 31.633 30.300 0.062 0.000 1.177 506 R HN 0.485 nan 8.270 nan 0.000 0.451 507 I N 4.628 125.192 120.570 -0.009 0.000 2.395 507 I HA 0.212 4.382 4.170 0.000 0.000 0.289 507 I C 0.359 176.564 176.117 0.146 0.000 1.023 507 I CA -0.266 61.029 61.300 -0.008 0.000 1.350 507 I CB 0.789 38.846 38.000 0.096 0.000 1.409 507 I HN 0.506 nan 8.210 nan 0.000 0.507 508 H N 6.843 126.006 119.070 0.155 0.000 2.508 508 H HA 0.249 4.805 4.556 0.000 0.000 0.358 508 H C -1.576 173.729 175.328 -0.039 0.000 1.212 508 H CA -2.255 53.814 56.048 0.035 0.000 1.356 508 H CB 0.126 29.885 29.762 -0.004 0.000 1.525 508 H HN 0.331 nan 8.280 nan 0.000 0.578 509 P HA -0.157 nan 4.420 nan 0.000 0.217 509 P C 1.096 178.535 177.300 0.232 0.000 1.151 509 P CA 2.358 65.353 63.100 -0.175 0.000 0.849 509 P CB 0.092 31.636 31.700 -0.260 0.000 0.787 510 T N -6.113 108.525 114.554 0.139 0.000 3.144 510 T HA 0.427 4.777 4.350 0.000 0.000 0.249 510 T C 1.437 176.207 174.700 0.117 0.000 1.089 510 T CA 0.407 62.570 62.100 0.106 0.000 0.989 510 T CB -0.343 68.546 68.868 0.035 0.000 0.992 510 T HN 0.254 nan 8.240 nan 0.000 0.540 511 G N 1.488 110.381 108.800 0.156 0.000 2.259 511 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 511 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 511 G C 0.472 175.433 174.900 0.102 0.000 1.001 511 G CA 0.075 45.256 45.100 0.135 0.000 0.627 511 G HN 1.144 nan 8.290 nan 0.000 0.501 512 S N 0.212 115.973 115.700 0.102 0.000 2.661 512 S HA 0.897 5.367 4.470 0.000 0.000 0.265 512 S C 0.248 174.821 174.600 -0.045 0.000 1.225 512 S CA 0.771 59.012 58.200 0.069 0.000 0.986 512 S CB 2.074 65.342 63.200 0.113 0.000 1.008 512 S HN 2.154 nan 8.310 nan 0.000 0.565 513 A N -0.226 122.536 122.820 -0.097 0.000 2.609 513 A HA 0.761 5.081 4.320 0.000 0.000 0.291 513 A C -1.289 176.198 177.584 -0.162 0.000 1.096 513 A CA -0.818 51.056 52.037 -0.272 0.000 0.684 513 A CB 1.077 19.997 19.000 -0.134 0.000 1.282 513 A HN 1.048 nan 8.150 nan 0.000 0.412 514 I N 0.382 120.843 120.570 -0.182 0.000 2.545 514 I HA 0.771 4.941 4.170 0.000 0.000 0.292 514 I C -0.357 175.759 176.117 -0.001 0.000 1.040 514 I CA -0.717 60.577 61.300 -0.010 0.000 1.068 514 I CB 1.749 39.808 38.000 0.098 0.000 1.251 514 I HN 1.020 nan 8.210 nan 0.000 0.424 515 A N 7.677 130.514 122.820 0.030 0.000 2.422 515 A HA 0.823 5.143 4.320 0.000 0.000 0.302 515 A C -1.078 176.540 177.584 0.057 0.000 1.041 515 A CA -0.684 51.371 52.037 0.031 0.000 0.708 515 A CB 1.560 20.572 19.000 0.020 0.000 1.257 515 A HN 0.784 nan 8.150 nan 0.000 0.414 516 R N 0.878 121.406 120.500 0.047 0.000 2.686 516 R HA 0.724 5.064 4.340 0.000 0.000 0.283 516 R C -1.398 174.921 176.300 0.032 0.000 0.978 516 R CA -0.712 55.426 56.100 0.064 0.000 0.897 516 R CB 2.141 32.484 30.300 0.072 0.000 1.192 516 R HN 0.730 nan 8.270 nan 0.000 0.457 517 M N -0.435 119.202 119.600 0.061 0.000 2.690 517 M HA 0.361 4.841 4.480 0.000 0.000 0.302 517 M C 1.080 177.387 176.300 0.012 0.000 1.234 517 M CA -0.418 54.885 55.300 0.004 0.000 0.853 517 M CB 1.683 34.297 32.600 0.024 0.000 1.748 517 M HN 0.730 nan 8.290 nan 0.000 0.469 518 G N -0.426 108.329 108.800 -0.074 0.000 2.920 518 G HA2 0.157 4.117 3.960 0.000 0.000 0.208 518 G HA3 0.157 4.117 3.960 0.000 0.000 0.208 518 G C 0.358 175.245 174.900 -0.022 0.000 1.159 518 G CA 0.386 45.403 45.100 -0.138 0.000 0.784 518 G HN 0.741 nan 8.290 nan 0.000 0.535 519 T N -1.934 112.660 114.554 0.068 0.000 2.867 519 T HA 0.649 4.999 4.350 0.000 0.000 0.286 519 T C -0.569 174.223 174.700 0.154 0.000 1.022 519 T CA -0.794 61.379 62.100 0.122 0.000 0.933 519 T CB 2.212 71.211 68.868 0.219 0.000 1.280 519 T HN 0.250 nan 8.240 nan 0.000 0.566 520 I N 0.259 120.911 120.570 0.137 0.000 2.654 520 I HA 0.348 4.518 4.170 0.000 0.000 0.282 520 I C -0.201 175.853 176.117 -0.106 0.000 1.258 520 I CA -0.087 61.239 61.300 0.043 0.000 1.088 520 I CB 1.481 39.496 38.000 0.024 0.000 1.316 520 I HN 0.940 nan 8.210 nan 0.000 0.448 521 T N 4.583 118.960 114.554 -0.294 0.000 2.856 521 T HA 0.345 4.695 4.350 0.000 0.000 0.306 521 T C 0.381 174.889 174.700 -0.320 0.000 1.062 521 T CA 0.386 62.106 62.100 -0.633 0.000 1.083 521 T CB 0.614 69.028 68.868 -0.756 0.000 0.984 521 T HN 0.715 nan 8.240 nan 0.000 0.542 522 Q N 1.211 120.815 119.800 -0.327 0.000 2.089 522 Q HA 0.409 4.749 4.340 0.000 0.000 0.248 522 Q C 0.825 176.684 176.000 -0.236 0.000 0.828 522 Q CA 0.176 55.834 55.803 -0.241 0.000 1.102 522 Q CB 1.103 29.669 28.738 -0.288 0.000 1.221 522 Q HN 0.983 nan 8.270 nan 0.000 0.455 523 G N 0.658 109.328 108.800 -0.217 0.000 2.205 523 G HA2 -0.245 3.715 3.960 0.000 0.000 0.180 523 G HA3 -0.245 3.715 3.960 0.000 0.000 0.180 523 G C 0.870 175.689 174.900 -0.135 0.000 1.004 523 G CA 0.101 45.106 45.100 -0.158 0.000 0.670 523 G HN 0.289 nan 8.290 nan 0.000 0.496 524 Q N 0.920 120.599 119.800 -0.201 0.000 2.482 524 Q HA 0.310 4.650 4.340 0.000 0.000 0.209 524 Q C 1.647 177.603 176.000 -0.073 0.000 0.961 524 Q CA 1.189 56.916 55.803 -0.127 0.000 0.945 524 Q CB 0.068 28.736 28.738 -0.117 0.000 1.012 524 Q HN 1.764 nan 8.270 nan 0.000 0.515 525 G N 1.115 109.852 108.800 -0.105 0.000 2.132 525 G HA2 -0.301 3.659 3.960 0.000 0.000 0.234 525 G HA3 -0.301 3.659 3.960 0.000 0.000 0.234 525 G C 0.383 175.251 174.900 -0.053 0.000 0.989 525 G CA 0.367 45.437 45.100 -0.049 0.000 0.676 525 G HN 0.637 nan 8.290 nan 0.000 0.522 526 H N -0.347 118.518 119.070 -0.343 0.000 2.390 526 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 526 H C 2.666 177.713 175.328 -0.468 0.000 1.106 526 H CA 1.627 57.235 56.048 -0.734 0.000 1.297 526 H CB 0.146 29.270 29.762 -1.063 0.000 1.375 526 H HN 0.567 nan 8.280 nan 0.000 0.509 527 Q N -0.271 119.468 119.800 -0.103 0.000 2.364 527 Q HA -0.097 4.243 4.340 0.000 0.000 0.209 527 Q C 1.718 177.719 176.000 0.000 0.000 0.977 527 Q CA 1.498 57.284 55.803 -0.028 0.000 0.885 527 Q CB 0.268 28.994 28.738 -0.021 0.000 0.941 527 Q HN 0.429 nan 8.270 nan 0.000 0.464 528 T N -0.647 113.901 114.554 -0.010 0.000 2.980 528 T HA -0.080 4.270 4.350 0.000 0.000 0.239 528 T C 2.072 176.788 174.700 0.027 0.000 1.011 528 T CA 1.329 63.435 62.100 0.010 0.000 1.171 528 T CB -0.374 68.497 68.868 0.004 0.000 0.873 528 T HN 0.488 nan 8.240 nan 0.000 0.431 529 T N 1.035 115.598 114.554 0.016 0.000 2.684 529 T HA -0.193 4.157 4.350 0.000 0.000 0.267 529 T C 1.763 176.557 174.700 0.155 0.000 1.036 529 T CA 1.209 63.341 62.100 0.053 0.000 1.148 529 T CB -0.892 67.997 68.868 0.035 0.000 0.863 529 T HN 0.217 nan 8.240 nan 0.000 0.436 530 Y N 2.355 122.637 120.300 -0.029 0.000 2.165 530 Y HA 0.154 4.704 4.550 -0.000 0.000 0.286 530 Y C 3.164 179.045 175.900 -0.033 0.000 1.155 530 Y CA 0.045 58.115 58.100 -0.051 0.000 1.164 530 Y CB -1.508 36.925 38.460 -0.046 0.000 0.978 530 Y HN 0.386 nan 8.280 nan 0.000 0.513 531 A N -0.138 122.777 122.820 0.158 0.000 1.933 531 A HA -0.236 4.084 4.320 0.000 0.000 0.218 531 A C 2.192 179.807 177.584 0.052 0.000 1.175 531 A CA 1.662 53.748 52.037 0.081 0.000 0.628 531 A CB -0.696 18.340 19.000 0.061 0.000 0.814 531 A HN 0.541 nan 8.150 nan 0.000 0.444 532 Q N -0.519 119.312 119.800 0.051 0.000 2.124 532 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 532 Q C 2.001 178.010 176.000 0.016 0.000 0.977 532 Q CA 1.430 57.251 55.803 0.029 0.000 0.850 532 Q CB -0.320 28.431 28.738 0.022 0.000 0.901 532 Q HN 0.755 nan 8.270 nan 0.000 0.429 533 I N 0.464 121.043 120.570 0.014 0.000 2.179 533 I HA -0.297 3.873 4.170 0.000 0.000 0.242 533 I C 2.137 178.231 176.117 -0.037 0.000 1.088 533 I CA 1.274 62.561 61.300 -0.022 0.000 1.357 533 I CB -0.292 37.676 38.000 -0.052 0.000 1.051 533 I HN 0.207 nan 8.210 nan 0.000 0.409 534 I N 0.733 121.287 120.570 -0.028 0.000 2.315 534 I HA -0.226 3.944 4.170 0.000 0.000 0.248 534 I C 2.826 178.943 176.117 -0.000 0.000 1.117 534 I CA 1.019 62.302 61.300 -0.030 0.000 1.404 534 I CB -0.530 37.458 38.000 -0.021 0.000 1.071 534 I HN 0.164 nan 8.210 nan 0.000 0.419 535 A N 0.744 123.575 122.820 0.018 0.000 1.873 535 A HA -0.243 4.077 4.320 0.000 0.000 0.218 535 A C 2.415 180.033 177.584 0.056 0.000 1.193 535 A CA 2.717 54.777 52.037 0.039 0.000 0.629 535 A CB -1.191 17.829 19.000 0.034 0.000 0.826 535 A HN 0.373 nan 8.150 nan 0.000 0.447 536 T N -0.182 114.392 114.554 0.034 0.000 2.821 536 T HA -0.077 4.273 4.350 0.000 0.000 0.267 536 T C 1.743 176.466 174.700 0.038 0.000 1.046 536 T CA 1.385 63.513 62.100 0.047 0.000 1.139 536 T CB -0.197 68.680 68.868 0.015 0.000 0.871 536 T HN 0.482 nan 8.240 nan 0.000 0.454 537 E N 0.837 121.014 120.200 -0.038 0.000 2.208 537 E HA 0.071 4.421 4.350 0.000 0.000 0.193 537 E C 1.680 178.184 176.600 -0.160 0.000 0.988 537 E CA 0.751 57.059 56.400 -0.153 0.000 0.828 537 E CB 0.030 29.631 29.700 -0.164 0.000 0.763 537 E HN 0.472 nan 8.360 nan 0.000 0.478 538 L N -1.246 119.985 121.223 0.012 0.000 2.966 538 L HA 0.290 4.630 4.340 0.000 0.000 0.262 538 L C 0.997 178.065 176.870 0.331 0.000 1.165 538 L CA 0.176 55.070 54.840 0.090 0.000 0.978 538 L CB 0.680 42.777 42.059 0.063 0.000 1.337 538 L HN 0.095 nan 8.230 nan 0.000 0.563 539 G N 1.850 110.870 108.800 0.367 0.000 2.221 539 G HA2 -0.279 3.681 3.960 0.000 0.000 0.265 539 G HA3 -0.279 3.681 3.960 0.000 0.000 0.265 539 G C -0.022 174.986 174.900 0.179 0.000 1.041 539 G CA 0.153 45.445 45.100 0.321 0.000 0.807 539 G HN 0.317 nan 8.290 nan 0.000 0.502 540 I N 1.604 122.255 120.570 0.134 0.000 2.406 540 I HA 0.305 4.475 4.170 0.000 0.000 0.290 540 I C -1.868 174.286 176.117 0.063 0.000 0.999 540 I CA -2.686 58.669 61.300 0.092 0.000 1.124 540 I CB 2.157 40.206 38.000 0.081 0.000 1.289 540 I HN -0.124 nan 8.210 nan 0.000 0.441 541 P HA -0.031 nan 4.420 nan 0.000 0.262 541 P C 0.795 178.115 177.300 0.033 0.000 1.182 541 P CA 0.119 63.239 63.100 0.034 0.000 0.761 541 P CB 0.741 32.457 31.700 0.026 0.000 0.795 542 S N 2.228 117.945 115.700 0.029 0.000 2.402 542 S HA -0.259 4.211 4.470 0.000 0.000 0.233 542 S C 1.729 176.344 174.600 0.026 0.000 1.030 542 S CA 1.506 59.723 58.200 0.028 0.000 1.003 542 S CB -0.808 62.407 63.200 0.025 0.000 0.813 542 S HN 0.452 nan 8.310 nan 0.000 0.477 543 E N 1.576 121.789 120.200 0.021 0.000 2.160 543 E HA -0.109 4.241 4.350 0.000 0.000 0.195 543 E C 1.709 178.322 176.600 0.022 0.000 0.991 543 E CA 1.444 57.855 56.400 0.018 0.000 0.810 543 E CB -0.309 29.399 29.700 0.014 0.000 0.742 543 E HN 0.700 nan 8.360 nan 0.000 0.466 544 V N -1.346 118.584 119.914 0.028 0.000 3.444 544 V HA 0.363 4.483 4.120 0.000 0.000 0.308 544 V C 0.620 176.736 176.094 0.035 0.000 1.371 544 V CA -0.219 62.102 62.300 0.034 0.000 1.141 544 V CB -0.345 31.502 31.823 0.040 0.000 1.037 544 V HN 0.039 nan 8.190 nan 0.000 0.433 545 I N 2.618 123.206 120.570 0.030 0.000 2.282 545 I HA 0.352 4.522 4.170 0.000 0.000 0.290 545 I C -0.200 175.937 176.117 0.034 0.000 1.090 545 I CA -0.135 61.180 61.300 0.025 0.000 1.231 545 I CB 0.977 38.993 38.000 0.027 0.000 1.434 545 I HN 0.227 nan 8.210 nan 0.000 0.487 546 Q N 5.852 125.674 119.800 0.037 0.000 2.307 546 Q HA 0.246 4.586 4.340 0.000 0.000 0.259 546 Q C -0.209 175.822 176.000 0.052 0.000 0.998 546 Q CA -0.181 55.648 55.803 0.043 0.000 0.923 546 Q CB 2.105 30.874 28.738 0.052 0.000 1.196 546 Q HN 0.562 nan 8.270 nan 0.000 0.416 547 V N 0.785 120.734 119.914 0.059 0.000 2.547 547 V HA 0.627 4.747 4.120 0.000 0.000 0.299 547 V C -0.438 175.699 176.094 0.072 0.000 1.040 547 V CA -0.449 61.903 62.300 0.086 0.000 0.913 547 V CB 1.923 33.834 31.823 0.146 0.000 0.992 547 V HN 0.735 nan 8.190 nan 0.000 0.449 548 E N 3.200 123.451 120.200 0.086 0.000 2.367 548 E HA 0.679 5.029 4.350 0.000 0.000 0.273 548 E C -1.284 175.374 176.600 0.096 0.000 0.903 548 E CA -0.744 55.698 56.400 0.070 0.000 0.764 548 E CB 2.978 32.712 29.700 0.058 0.000 1.252 548 E HN 0.907 nan 8.360 nan 0.000 0.446 549 E N -0.720 119.529 120.200 0.082 0.000 2.458 549 E HA 0.521 4.871 4.350 0.000 0.000 0.278 549 E C 0.114 176.754 176.600 0.066 0.000 1.004 549 E CA -0.504 55.957 56.400 0.102 0.000 0.823 549 E CB 1.885 31.657 29.700 0.121 0.000 1.396 549 E HN 0.651 nan 8.360 nan 0.000 0.463 550 G N 0.840 109.681 108.800 0.069 0.000 2.267 550 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 550 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 550 G C -0.104 174.764 174.900 -0.054 0.000 0.998 550 G CA 0.529 45.633 45.100 0.007 0.000 0.620 550 G HN 0.498 nan 8.290 nan 0.000 0.529 551 D N 1.176 121.559 120.400 -0.028 0.000 2.443 551 D HA 0.495 5.135 4.640 0.000 0.000 0.221 551 D C 1.970 178.197 176.300 -0.121 0.000 1.097 551 D CA 0.487 54.446 54.000 -0.069 0.000 0.865 551 D CB 0.762 41.558 40.800 -0.007 0.000 1.034 551 D HN 0.265 nan 8.370 nan 0.000 0.511 552 T N -0.093 114.278 114.554 -0.306 0.000 2.946 552 T HA -0.166 4.184 4.350 0.000 0.000 0.271 552 T C 1.618 176.272 174.700 -0.077 0.000 1.104 552 T CA 1.198 63.034 62.100 -0.441 0.000 1.114 552 T CB 0.056 68.612 68.868 -0.520 0.000 0.867 552 T HN 0.178 nan 8.240 nan 0.000 0.513 553 S N 0.835 116.508 115.700 -0.045 0.000 2.528 553 S HA 0.049 4.519 4.470 0.000 0.000 0.219 553 S C 1.935 176.567 174.600 0.055 0.000 0.985 553 S CA 0.928 59.137 58.200 0.014 0.000 0.914 553 S CB -0.359 62.834 63.200 -0.010 0.000 0.776 553 S HN 0.880 nan 8.310 nan 0.000 0.526 554 T N -1.983 112.612 114.554 0.067 0.000 3.028 554 T HA 0.572 4.922 4.350 0.000 0.000 0.250 554 T C 0.641 175.413 174.700 0.120 0.000 0.979 554 T CA 0.418 62.569 62.100 0.085 0.000 1.004 554 T CB -0.251 68.657 68.868 0.066 0.000 1.120 554 T HN 0.286 nan 8.240 nan 0.000 0.482 555 A N 3.842 126.754 122.820 0.155 0.000 2.322 555 A HA 0.676 4.996 4.320 0.000 0.000 0.269 555 A C -2.371 175.335 177.584 0.203 0.000 1.094 555 A CA -1.679 50.466 52.037 0.180 0.000 0.807 555 A CB -0.013 19.118 19.000 0.219 0.000 1.047 555 A HN 0.394 nan 8.150 nan 0.000 0.487 556 P HA 0.042 nan 4.420 nan 0.000 0.272 556 P C -0.827 176.361 177.300 -0.186 0.000 1.223 556 P CA 0.028 63.156 63.100 0.045 0.000 0.784 556 P CB 0.321 31.981 31.700 -0.067 0.000 0.923 557 Y N 1.526 121.758 120.300 -0.113 0.000 2.620 557 Y HA 0.352 4.902 4.550 0.000 0.000 0.330 557 Y C 1.003 176.780 175.900 -0.205 0.000 1.186 557 Y CA 1.668 59.588 58.100 -0.300 0.000 1.467 557 Y CB -0.031 38.577 38.460 0.247 0.000 1.262 557 Y HN 0.618 nan 8.280 nan 0.000 0.550 558 G N 3.971 112.524 108.800 -0.412 0.000 2.727 558 G HA2 0.370 4.330 3.960 0.000 0.000 0.289 558 G HA3 0.370 4.330 3.960 0.000 0.000 0.289 558 G C -1.077 173.708 174.900 -0.192 0.000 1.418 558 G CA -0.825 44.167 45.100 -0.181 0.000 0.818 558 G HN 0.493 nan 8.290 nan 0.000 0.486 559 L N 1.059 122.179 121.223 -0.172 0.000 2.700 559 L HA 0.319 4.659 4.340 0.000 0.000 0.234 559 L C 1.572 178.462 176.870 0.033 0.000 1.156 559 L CA 1.169 55.976 54.840 -0.054 0.000 0.946 559 L CB -1.123 40.887 42.059 -0.082 0.000 1.216 559 L HN 1.249 nan 8.230 nan 0.000 0.493 560 G N 0.861 109.649 108.800 -0.020 0.000 2.693 560 G HA2 -0.233 3.727 3.960 0.000 0.000 0.226 560 G HA3 -0.233 3.727 3.960 0.000 0.000 0.226 560 G C -0.057 174.729 174.900 -0.190 0.000 1.354 560 G CA -0.067 45.039 45.100 0.011 0.000 0.873 560 G HN 0.305 nan 8.290 nan 0.000 0.562 561 T N -0.700 113.771 114.554 -0.139 0.000 2.841 561 T HA 0.866 5.216 4.350 0.000 0.000 0.285 561 T C -0.622 173.979 174.700 -0.165 0.000 0.991 561 T CA 0.502 62.454 62.100 -0.247 0.000 0.966 561 T CB 1.378 70.256 68.868 0.016 0.000 0.962 561 T HN 2.146 nan 8.240 nan 0.000 0.438 562 Y N 0.067 120.362 120.300 -0.008 0.000 2.732 562 Y HA 0.594 5.144 4.550 0.000 0.000 0.342 562 Y C 0.692 176.533 175.900 -0.099 0.000 1.203 562 Y CA -0.911 57.139 58.100 -0.084 0.000 1.092 562 Y CB 0.216 38.605 38.460 -0.117 0.000 1.345 562 Y HN 1.106 nan 8.280 nan 0.000 0.458 563 G N 0.746 109.538 108.800 -0.014 0.000 2.258 563 G HA2 -0.196 3.764 3.960 0.000 0.000 0.274 563 G HA3 -0.196 3.764 3.960 0.000 0.000 0.274 563 G C 0.388 175.283 174.900 -0.009 0.000 1.021 563 G CA 0.834 45.883 45.100 -0.085 0.000 0.798 563 G HN 1.741 nan 8.290 nan 0.000 0.507 564 S N -1.935 113.755 115.700 -0.017 0.000 3.521 564 S HA -0.306 4.164 4.470 0.000 0.000 0.362 564 S C 1.910 176.512 174.600 0.003 0.000 1.044 564 S CA 1.841 60.041 58.200 -0.000 0.000 1.091 564 S CB -0.775 62.429 63.200 0.008 0.000 0.908 564 S HN 1.348 nan 8.310 nan 0.000 0.473 565 R N -0.240 120.242 120.500 -0.031 0.000 2.246 565 R HA 0.175 4.515 4.340 0.000 0.000 0.199 565 R C 1.916 178.200 176.300 -0.026 0.000 0.984 565 R CA 0.998 57.083 56.100 -0.026 0.000 1.015 565 R CB -0.348 29.899 30.300 -0.088 0.000 0.930 565 R HN 0.279 nan 8.270 nan 0.000 0.475 566 S N 1.322 117.008 115.700 -0.023 0.000 2.365 566 S HA -0.174 4.296 4.470 0.000 0.000 0.221 566 S C 1.778 176.371 174.600 -0.012 0.000 1.037 566 S CA 2.207 60.402 58.200 -0.007 0.000 1.060 566 S CB -0.503 62.702 63.200 0.007 0.000 0.974 566 S HN 0.467 nan 8.310 nan 0.000 0.427 567 T N 2.769 117.321 114.554 -0.004 0.000 2.684 567 T HA -0.051 4.299 4.350 0.000 0.000 0.267 567 T C -0.668 174.058 174.700 0.044 0.000 1.036 567 T CA 1.477 63.571 62.100 -0.011 0.000 1.148 567 T CB -1.378 67.459 68.868 -0.052 0.000 0.863 567 T HN 0.324 nan 8.240 nan 0.000 0.436 568 P HA -0.032 nan 4.420 nan 0.000 0.213 568 P C 1.675 179.124 177.300 0.248 0.000 1.170 568 P CA 0.776 63.986 63.100 0.183 0.000 0.898 568 P CB -0.143 31.628 31.700 0.119 0.000 0.787 569 V N -0.302 119.689 119.914 0.129 0.000 2.300 569 V HA -0.070 4.050 4.120 0.000 0.000 0.241 569 V C 2.445 178.557 176.094 0.030 0.000 1.034 569 V CA 2.039 64.425 62.300 0.144 0.000 1.021 569 V CB -1.872 30.013 31.823 0.103 0.000 0.662 569 V HN 0.037 nan 8.190 nan 0.000 0.458 570 A N 0.902 123.689 122.820 -0.056 0.000 1.930 570 A HA -0.017 4.303 4.320 0.000 0.000 0.217 570 A C 2.380 179.777 177.584 -0.310 0.000 1.175 570 A CA 1.778 53.701 52.037 -0.190 0.000 0.627 570 A CB -1.307 17.549 19.000 -0.240 0.000 0.815 570 A HN 0.535 nan 8.150 nan 0.000 0.443 571 G N -0.330 108.333 108.800 -0.229 0.000 2.469 571 G HA2 -0.062 3.898 3.960 0.000 0.000 0.220 571 G HA3 -0.062 3.898 3.960 0.000 0.000 0.220 571 G C 1.675 176.415 174.900 -0.266 0.000 1.136 571 G CA 1.549 46.535 45.100 -0.191 0.000 0.759 571 G HN 0.789 nan 8.290 nan 0.000 0.562 572 A N 0.991 123.549 122.820 -0.437 0.000 1.897 572 A HA 0.408 4.728 4.320 0.000 0.000 0.215 572 A C 2.814 179.965 177.584 -0.722 0.000 1.181 572 A CA 1.968 53.476 52.037 -0.882 0.000 0.620 572 A CB -0.737 17.333 19.000 -1.550 0.000 0.821 572 A HN 0.761 nan 8.150 nan 0.000 0.443 573 A N -0.003 122.537 122.820 -0.467 0.000 1.933 573 A HA -0.073 4.247 4.320 0.000 0.000 0.218 573 A C 2.094 179.520 177.584 -0.263 0.000 1.175 573 A CA 1.500 53.403 52.037 -0.224 0.000 0.628 573 A CB -0.605 18.375 19.000 -0.033 0.000 0.814 573 A HN 0.495 nan 8.150 nan 0.000 0.444 574 I N -0.323 120.063 120.570 -0.307 0.000 2.179 574 I HA -0.279 3.891 4.170 0.000 0.000 0.242 574 I C 2.997 178.963 176.117 -0.252 0.000 1.088 574 I CA 1.121 62.253 61.300 -0.280 0.000 1.357 574 I CB -0.356 37.431 38.000 -0.355 0.000 1.051 574 I HN 0.351 nan 8.210 nan 0.000 0.409 575 A N 0.885 123.530 122.820 -0.291 0.000 1.877 575 A HA -0.155 4.165 4.320 0.000 0.000 0.216 575 A C 2.306 179.711 177.584 -0.297 0.000 1.186 575 A CA 1.441 53.317 52.037 -0.270 0.000 0.620 575 A CB -0.880 17.951 19.000 -0.282 0.000 0.822 575 A HN 0.378 nan 8.150 nan 0.000 0.443 576 L N -0.936 120.039 121.223 -0.414 0.000 2.056 576 L HA -0.174 4.166 4.340 0.000 0.000 0.207 576 L C 3.097 179.757 176.870 -0.349 0.000 1.078 576 L CA 1.052 55.590 54.840 -0.503 0.000 0.749 576 L CB -0.607 40.861 42.059 -0.985 0.000 0.901 576 L HN 0.450 nan 8.230 nan 0.000 0.433 577 A N 0.077 122.750 122.820 -0.246 0.000 1.930 577 A HA -0.125 4.195 4.320 0.000 0.000 0.217 577 A C 2.536 180.078 177.584 -0.070 0.000 1.175 577 A CA 1.610 53.610 52.037 -0.063 0.000 0.627 577 A CB -0.590 18.401 19.000 -0.014 0.000 0.815 577 A HN 0.393 nan 8.150 nan 0.000 0.443 578 A N -0.088 122.664 122.820 -0.113 0.000 1.902 578 A HA -0.153 4.167 4.320 0.000 0.000 0.217 578 A C 2.210 179.743 177.584 -0.085 0.000 1.181 578 A CA 1.507 53.489 52.037 -0.093 0.000 0.623 578 A CB -0.451 18.476 19.000 -0.121 0.000 0.818 578 A HN 0.531 nan 8.150 nan 0.000 0.443 579 R N -0.399 120.023 120.500 -0.130 0.000 2.193 579 R HA -0.063 4.277 4.340 0.000 0.000 0.229 579 R C 2.054 178.336 176.300 -0.030 0.000 1.110 579 R CA 1.370 57.403 56.100 -0.112 0.000 0.988 579 R CB -0.170 30.033 30.300 -0.162 0.000 0.871 579 R HN 0.505 nan 8.270 nan 0.000 0.458 580 K N 0.384 120.768 120.400 -0.027 0.000 2.103 580 K HA -0.043 4.277 4.320 0.000 0.000 0.204 580 K C 1.953 178.563 176.600 0.016 0.000 1.052 580 K CA 1.041 57.334 56.287 0.009 0.000 0.945 580 K CB 0.025 32.544 32.500 0.033 0.000 0.722 580 K HN 0.135 nan 8.250 nan 0.000 0.443 581 I N 0.344 120.923 120.570 0.015 0.000 2.252 581 I HA -0.281 3.889 4.170 0.000 0.000 0.245 581 I C 2.574 178.716 176.117 0.041 0.000 1.102 581 I CA 1.074 62.386 61.300 0.021 0.000 1.385 581 I CB -0.300 37.711 38.000 0.018 0.000 1.064 581 I HN 0.328 nan 8.210 nan 0.000 0.414 582 H N 1.183 120.209 119.070 -0.072 0.000 2.387 582 H HA -0.120 4.436 4.556 0.000 0.000 0.299 582 H C 2.184 177.517 175.328 0.008 0.000 1.090 582 H CA 1.642 57.639 56.048 -0.085 0.000 1.332 582 H CB 0.350 29.967 29.762 -0.242 0.000 1.386 582 H HN 0.341 nan 8.280 nan 0.000 0.516 583 A N 1.047 123.915 122.820 0.082 0.000 1.898 583 A HA -0.138 4.182 4.320 0.000 0.000 0.216 583 A C 2.466 180.021 177.584 -0.048 0.000 1.181 583 A CA 1.500 53.551 52.037 0.023 0.000 0.620 583 A CB -0.404 18.612 19.000 0.026 0.000 0.819 583 A HN 0.391 nan 8.150 nan 0.000 0.442 584 K N -0.319 120.059 120.400 -0.035 0.000 2.097 584 K HA -0.013 4.307 4.320 0.000 0.000 0.205 584 K C 2.119 178.673 176.600 -0.077 0.000 1.050 584 K CA 1.047 57.302 56.287 -0.054 0.000 0.938 584 K CB -0.295 32.182 32.500 -0.038 0.000 0.718 584 K HN 0.347 nan 8.250 nan 0.000 0.442 585 A N 1.481 124.269 122.820 -0.053 0.000 1.933 585 A HA -0.181 4.139 4.320 0.000 0.000 0.218 585 A C 2.120 179.568 177.584 -0.227 0.000 1.175 585 A CA 1.464 53.492 52.037 -0.014 0.000 0.628 585 A CB -0.515 18.559 19.000 0.124 0.000 0.814 585 A HN 0.356 nan 8.150 nan 0.000 0.444 586 R N -0.343 119.864 120.500 -0.489 0.000 2.075 586 R HA -0.130 4.210 4.340 0.000 0.000 0.232 586 R C 2.246 178.244 176.300 -0.503 0.000 1.126 586 R CA 1.822 57.308 56.100 -1.022 0.000 0.963 586 R CB -0.242 29.667 30.300 -0.652 0.000 0.858 586 R HN 0.517 nan 8.270 nan 0.000 0.435 587 K N 0.283 120.524 120.400 -0.264 0.000 2.057 587 K HA -0.113 4.207 4.320 0.000 0.000 0.207 587 K C 1.987 178.525 176.600 -0.104 0.000 1.049 587 K CA 1.547 57.746 56.287 -0.147 0.000 0.931 587 K CB -0.038 32.401 32.500 -0.102 0.000 0.714 587 K HN 0.197 nan 8.250 nan 0.000 0.440 588 I N 0.312 120.822 120.570 -0.101 0.000 2.286 588 I HA -0.203 3.967 4.170 0.000 0.000 0.245 588 I C 2.343 178.466 176.117 0.010 0.000 1.104 588 I CA 0.956 62.239 61.300 -0.028 0.000 1.397 588 I CB -0.277 37.716 38.000 -0.011 0.000 1.072 588 I HN 0.208 nan 8.210 nan 0.000 0.417 589 A N 0.817 123.590 122.820 -0.078 0.000 1.933 589 A HA -0.168 4.152 4.320 0.000 0.000 0.218 589 A C 2.525 180.083 177.584 -0.043 0.000 1.175 589 A CA 1.824 53.835 52.037 -0.044 0.000 0.628 589 A CB -0.731 18.180 19.000 -0.148 0.000 0.814 589 A HN 0.433 nan 8.150 nan 0.000 0.444 590 A N -0.843 121.923 122.820 -0.091 0.000 1.902 590 A HA -0.160 4.160 4.320 0.000 0.000 0.217 590 A C 2.009 179.598 177.584 0.009 0.000 1.181 590 A CA 2.055 54.064 52.037 -0.046 0.000 0.623 590 A CB -0.854 18.108 19.000 -0.063 0.000 0.818 590 A HN 0.798 nan 8.150 nan 0.000 0.443 591 H N -0.595 118.446 119.070 -0.049 0.000 2.321 591 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 591 H C 1.971 177.291 175.328 -0.012 0.000 1.087 591 H CA 2.205 58.236 56.048 -0.029 0.000 1.319 591 H CB -0.240 29.504 29.762 -0.030 0.000 1.379 591 H HN 0.405 nan 8.280 nan 0.000 0.501 592 M N -0.253 119.347 119.600 0.001 0.000 2.086 592 M HA -0.118 4.362 4.480 0.000 0.000 0.261 592 M C 1.832 178.087 176.300 -0.074 0.000 1.067 592 M CA 1.391 56.669 55.300 -0.037 0.000 1.116 592 M CB -0.063 32.573 32.600 0.059 0.000 1.348 592 M HN 0.293 nan 8.290 nan 0.000 0.407 593 L N -0.176 121.023 121.223 -0.040 0.000 2.599 593 L HA 0.018 4.358 4.340 0.000 0.000 0.230 593 L C 0.204 177.046 176.870 -0.047 0.000 1.141 593 L CA 0.093 54.914 54.840 -0.031 0.000 0.877 593 L CB -0.417 41.648 42.059 0.009 0.000 1.009 593 L HN 0.359 nan 8.230 nan 0.000 0.447 594 E N -0.101 120.048 120.200 -0.085 0.000 2.440 594 E HA -0.207 4.143 4.350 0.000 0.000 0.246 594 E C -0.242 176.334 176.600 -0.040 0.000 1.165 594 E CA 0.549 56.899 56.400 -0.082 0.000 0.726 594 E CB -1.590 28.061 29.700 -0.083 0.000 1.271 594 E HN 0.462 nan 8.360 nan 0.000 0.397 595 V N -3.185 116.713 119.914 -0.025 0.000 3.164 595 V HA 0.616 4.736 4.120 0.000 0.000 0.313 595 V C 0.092 176.180 176.094 -0.009 0.000 1.188 595 V CA -1.183 61.111 62.300 -0.009 0.000 1.058 595 V CB 2.041 33.866 31.823 0.005 0.000 1.110 595 V HN 0.066 nan 8.190 nan 0.000 0.453 596 N N 0.225 118.924 118.700 -0.003 0.000 2.508 596 N HA 0.365 5.105 4.740 0.000 0.000 0.285 596 N C 0.712 176.215 175.510 -0.012 0.000 1.144 596 N CA -0.328 52.718 53.050 -0.006 0.000 0.978 596 N CB 1.120 39.608 38.487 0.001 0.000 1.180 596 N HN 0.813 nan 8.380 nan 0.000 0.484 597 E N 0.547 120.731 120.200 -0.028 0.000 2.070 597 E HA -0.314 4.036 4.350 0.000 0.000 0.197 597 E C 1.013 177.611 176.600 -0.003 0.000 1.004 597 E CA 1.711 58.083 56.400 -0.047 0.000 0.805 597 E CB -0.326 29.339 29.700 -0.058 0.000 0.744 597 E HN 0.709 nan 8.360 nan 0.000 0.451 598 N N 0.776 119.484 118.700 0.013 0.000 2.513 598 N HA -0.156 4.584 4.740 0.000 0.000 0.187 598 N C 0.829 176.366 175.510 0.046 0.000 1.056 598 N CA 1.214 54.284 53.050 0.034 0.000 0.907 598 N CB 0.105 38.608 38.487 0.027 0.000 0.954 598 N HN 0.035 nan 8.380 nan 0.000 0.445 599 D N -0.177 120.246 120.400 0.040 0.000 2.325 599 D HA 0.149 4.789 4.640 0.000 0.000 0.225 599 D C -0.066 176.279 176.300 0.074 0.000 1.096 599 D CA 0.147 54.177 54.000 0.049 0.000 0.844 599 D CB 0.460 41.280 40.800 0.035 0.000 0.925 599 D HN 0.363 nan 8.370 nan 0.000 0.513 600 L N 0.424 121.704 121.223 0.096 0.000 2.330 600 L HA 0.400 4.740 4.340 0.000 0.000 0.271 600 L C -0.266 176.748 176.870 0.240 0.000 1.013 600 L CA -0.771 54.169 54.840 0.167 0.000 0.816 600 L CB 1.994 44.143 42.059 0.150 0.000 1.287 600 L HN -0.328 nan 8.230 nan 0.000 0.435 601 D N 0.954 121.525 120.400 0.286 0.000 2.629 601 D HA 0.186 4.826 4.640 0.000 0.000 0.250 601 D C -1.351 175.137 176.300 0.313 0.000 1.126 601 D CA -0.251 53.910 54.000 0.267 0.000 0.852 601 D CB 2.408 43.293 40.800 0.142 0.000 1.335 601 D HN 0.371 nan 8.370 nan 0.000 0.518 602 W N 3.337 124.708 121.300 0.118 0.000 2.322 602 W HA 0.266 4.926 4.660 0.000 0.000 0.307 602 W C -0.508 175.970 176.519 -0.069 0.000 1.220 602 W CA -0.340 56.949 57.345 -0.094 0.000 1.210 602 W CB 0.905 30.328 29.460 -0.062 0.000 1.223 602 W HN 0.384 nan 8.180 nan 0.000 0.511 603 E N 6.154 125.881 120.200 -0.788 0.000 2.675 603 E HA 0.290 4.640 4.350 0.000 0.000 0.236 603 E C 0.536 176.645 176.600 -0.820 0.000 1.059 603 E CA -0.177 55.868 56.400 -0.592 0.000 0.775 603 E CB 0.543 30.034 29.700 -0.348 0.000 1.356 603 E HN 0.520 nan 8.360 nan 0.000 0.403 604 V N 2.852 122.290 119.914 -0.793 0.000 0.550 604 V HA -0.425 3.695 4.120 0.000 0.000 0.092 604 V C 0.775 176.528 176.094 -0.568 0.000 2.065 604 V CA 2.442 64.462 62.300 -0.466 0.000 3.496 604 V CB -1.130 30.523 31.823 -0.283 0.000 0.788 604 V HN 0.864 nan 8.190 nan 0.000 0.820 605 D N 0.203 120.102 120.400 -0.835 0.000 2.651 605 D HA 0.297 4.937 4.640 0.000 0.000 0.280 605 D C 0.129 176.012 176.300 -0.694 0.000 1.496 605 D CA 0.349 54.001 54.000 -0.579 0.000 0.792 605 D CB 0.217 40.912 40.800 -0.175 0.000 1.144 605 D HN 0.972 nan 8.370 nan 0.000 0.470 606 R N -1.519 118.244 120.500 -1.230 0.000 2.692 606 R HA 0.595 4.935 4.340 0.000 0.000 0.269 606 R C -1.797 174.174 176.300 -0.547 0.000 1.030 606 R CA -0.889 54.873 56.100 -0.563 0.000 0.882 606 R CB 0.434 30.576 30.300 -0.263 0.000 1.250 606 R HN -0.202 nan 8.270 nan 0.000 0.465 607 F N 1.890 121.901 119.950 0.103 0.000 2.404 607 F HA 0.428 4.955 4.527 -0.000 0.000 0.354 607 F C 0.072 175.963 175.800 0.151 0.000 1.122 607 F CA -0.289 57.826 58.000 0.192 0.000 1.080 607 F CB 1.825 40.968 39.000 0.238 0.000 1.131 607 F HN 0.483 nan 8.300 nan 0.000 0.471 608 K N 2.189 122.754 120.400 0.275 0.000 2.318 608 K HA 0.764 5.084 4.320 0.000 0.000 0.249 608 K C -1.390 175.321 176.600 0.185 0.000 0.942 608 K CA -0.953 55.465 56.287 0.219 0.000 0.808 608 K CB 1.936 34.497 32.500 0.101 0.000 1.189 608 K HN 0.284 nan 8.250 nan 0.000 0.428 609 V N 2.960 122.967 119.914 0.155 0.000 2.572 609 V HA 0.036 4.156 4.120 0.000 0.000 0.291 609 V C 0.226 176.373 176.094 0.088 0.000 1.039 609 V CA -0.434 61.933 62.300 0.111 0.000 1.055 609 V CB 0.304 32.177 31.823 0.084 0.000 0.969 609 V HN 0.715 nan 8.190 nan 0.000 0.482 610 K N 4.122 124.569 120.400 0.079 0.000 2.430 610 K HA 0.325 4.645 4.320 0.000 0.000 0.280 610 K C 1.250 177.879 176.600 0.048 0.000 1.063 610 K CA 0.866 57.190 56.287 0.062 0.000 1.071 610 K CB 0.010 32.546 32.500 0.059 0.000 0.899 610 K HN 1.069 nan 8.250 nan 0.000 0.473 611 G N 3.127 111.952 108.800 0.042 0.000 3.400 611 G HA2 -0.257 3.703 3.960 0.000 0.000 0.209 611 G HA3 -0.257 3.703 3.960 0.000 0.000 0.209 611 G C -0.338 174.583 174.900 0.036 0.000 1.411 611 G CA -0.095 45.025 45.100 0.034 0.000 0.917 611 G HN 0.638 nan 8.290 nan 0.000 0.570 612 D N 1.968 122.395 120.400 0.045 0.000 2.393 612 D HA 0.505 5.145 4.640 0.000 0.000 0.232 612 D C 0.753 177.098 176.300 0.075 0.000 1.192 612 D CA -0.286 53.745 54.000 0.052 0.000 0.882 612 D CB 0.786 41.615 40.800 0.048 0.000 1.038 612 D HN 0.176 nan 8.370 nan 0.000 0.499 613 D N 0.908 121.348 120.400 0.067 0.000 2.183 613 D HA -0.150 4.490 4.640 0.000 0.000 0.203 613 D C 2.011 178.416 176.300 0.175 0.000 0.969 613 D CA 0.872 54.919 54.000 0.078 0.000 0.842 613 D CB 0.077 40.890 40.800 0.021 0.000 0.957 613 D HN 0.459 nan 8.370 nan 0.000 0.484 614 S N -0.117 115.679 115.700 0.160 0.000 2.419 614 S HA -0.105 4.365 4.470 0.000 0.000 0.233 614 S C 0.945 175.682 174.600 0.228 0.000 1.016 614 S CA 0.577 58.904 58.200 0.213 0.000 0.974 614 S CB -0.230 63.033 63.200 0.105 0.000 0.786 614 S HN 0.077 nan 8.310 nan 0.000 0.492 615 K N 1.727 122.231 120.400 0.173 0.000 2.263 615 K HA 0.506 4.826 4.320 0.000 0.000 0.282 615 K C -0.895 175.826 176.600 0.202 0.000 1.089 615 K CA -0.458 55.878 56.287 0.082 0.000 0.907 615 K CB 0.434 32.964 32.500 0.050 0.000 1.148 615 K HN 0.531 nan 8.250 nan 0.000 0.470 616 F N -0.459 119.513 119.950 0.036 0.000 2.741 616 F HA 0.593 5.120 4.527 0.000 0.000 0.313 616 F C -1.548 174.295 175.800 0.072 0.000 1.153 616 F CA -1.353 56.681 58.000 0.056 0.000 0.931 616 F CB 1.279 40.293 39.000 0.023 0.000 1.335 616 F HN -0.104 nan 8.300 nan 0.000 0.460 617 K N 2.029 122.623 120.400 0.324 0.000 2.601 617 K HA 0.325 4.645 4.320 0.000 0.000 0.249 617 K C -0.666 176.147 176.600 0.355 0.000 0.966 617 K CA -0.350 56.079 56.287 0.237 0.000 0.827 617 K CB 1.785 34.398 32.500 0.189 0.000 1.178 617 K HN 1.018 nan 8.250 nan 0.000 0.437 618 T N -0.975 113.769 114.554 0.317 0.000 2.726 618 T HA 0.108 4.458 4.350 0.000 0.000 0.294 618 T C 1.422 176.280 174.700 0.263 0.000 1.013 618 T CA -0.407 61.841 62.100 0.246 0.000 0.996 618 T CB 0.573 69.561 68.868 0.201 0.000 1.016 618 T HN 0.451 nan 8.240 nan 0.000 0.529 619 M N 1.149 120.902 119.600 0.255 0.000 2.296 619 M HA 0.168 4.648 4.480 0.000 0.000 0.265 619 M C 2.222 178.661 176.300 0.231 0.000 1.064 619 M CA 1.609 57.079 55.300 0.284 0.000 1.109 619 M CB -1.506 31.272 32.600 0.297 0.000 1.396 619 M HN 0.869 nan 8.290 nan 0.000 0.430 620 A N -0.153 122.784 122.820 0.194 0.000 1.873 620 A HA -0.151 4.169 4.320 0.000 0.000 0.215 620 A C 1.900 179.615 177.584 0.218 0.000 1.186 620 A CA 1.959 54.103 52.037 0.179 0.000 0.616 620 A CB -0.964 18.110 19.000 0.124 0.000 0.823 620 A HN 0.524 nan 8.150 nan 0.000 0.442 621 D N 0.204 120.726 120.400 0.203 0.000 2.123 621 D HA -0.138 4.502 4.640 0.000 0.000 0.196 621 D C 1.893 178.347 176.300 0.258 0.000 0.992 621 D CA 1.380 55.508 54.000 0.215 0.000 0.833 621 D CB -0.360 40.536 40.800 0.161 0.000 0.954 621 D HN 0.540 nan 8.370 nan 0.000 0.455 622 I N 1.245 121.962 120.570 0.246 0.000 2.252 622 I HA -0.220 3.950 4.170 0.000 0.000 0.245 622 I C 2.575 178.825 176.117 0.222 0.000 1.102 622 I CA 0.852 62.285 61.300 0.222 0.000 1.385 622 I CB -0.257 37.888 38.000 0.241 0.000 1.064 622 I HN -0.092 nan 8.210 nan 0.000 0.414 623 A N 1.075 124.054 122.820 0.265 0.000 1.865 623 A HA -0.278 4.042 4.320 0.000 0.000 0.217 623 A C 2.299 180.136 177.584 0.422 0.000 1.191 623 A CA 1.613 53.841 52.037 0.318 0.000 0.623 623 A CB -1.303 17.884 19.000 0.312 0.000 0.826 623 A HN 0.730 nan 8.150 nan 0.000 0.444 624 W N 0.511 121.936 121.300 0.208 0.000 2.335 624 W HA -0.289 4.371 4.660 0.000 0.000 0.311 624 W C 2.176 178.834 176.519 0.232 0.000 1.213 624 W CA 2.323 59.786 57.345 0.196 0.000 1.274 624 W CB -0.261 29.257 29.460 0.097 0.000 1.148 624 W HN 0.501 nan 8.180 nan 0.000 0.498 625 Q N 1.134 120.995 119.800 0.102 0.000 2.135 625 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 625 Q C 2.210 178.180 176.000 -0.049 0.000 0.981 625 Q CA 2.813 58.619 55.803 0.005 0.000 0.856 625 Q CB -0.852 27.952 28.738 0.111 0.000 0.902 625 Q HN 0.233 nan 8.270 nan 0.000 0.425 626 A N -1.124 121.685 122.820 -0.018 0.000 2.019 626 A HA -0.151 4.169 4.320 0.000 0.000 0.219 626 A C 1.451 178.865 177.584 -0.284 0.000 1.164 626 A CA 1.419 53.371 52.037 -0.142 0.000 0.644 626 A CB -0.617 18.294 19.000 -0.148 0.000 0.805 626 A HN 0.571 nan 8.150 nan 0.000 0.449 627 Y N -2.563 117.620 120.300 -0.194 0.000 2.509 627 Y HA 0.069 4.619 4.550 0.000 0.000 0.270 627 Y C 2.275 177.953 175.900 -0.371 0.000 1.103 627 Y CA 0.850 58.802 58.100 -0.246 0.000 1.278 627 Y CB -0.228 38.100 38.460 -0.220 0.000 1.087 627 Y HN 0.583 nan 8.280 nan 0.000 0.542 628 H N 0.535 119.306 119.070 -0.498 0.000 2.260 628 H HA 0.041 4.597 4.556 -0.000 0.000 0.304 628 H C 0.518 175.701 175.328 -0.242 0.000 1.059 628 H CA 1.625 57.368 56.048 -0.509 0.000 1.305 628 H CB 0.294 29.658 29.762 -0.664 0.000 1.388 628 H HN 0.170 nan 8.280 nan 0.000 0.496 629 Q N 0.782 120.422 119.800 -0.267 0.000 2.406 629 Q HA 0.271 4.611 4.340 0.000 0.000 0.244 629 Q C -2.911 172.996 176.000 -0.155 0.000 0.884 629 Q CA -2.220 53.433 55.803 -0.250 0.000 0.813 629 Q CB 2.187 30.768 28.738 -0.261 0.000 1.368 629 Q HN 0.255 nan 8.270 nan 0.000 0.439 630 P HA 0.203 nan 4.420 nan 0.000 0.271 630 P C -2.546 174.606 177.300 -0.247 0.000 1.216 630 P CA -1.043 61.944 63.100 -0.188 0.000 0.771 630 P CB 0.375 31.970 31.700 -0.174 0.000 0.864 631 P HA 0.042 nan 4.420 nan 0.000 0.266 631 P C -0.018 177.094 177.300 -0.313 0.000 1.195 631 P CA 0.217 62.950 63.100 -0.612 0.000 0.768 631 P CB 0.177 31.486 31.700 -0.650 0.000 0.838 632 A N 2.906 125.581 122.820 -0.243 0.000 2.584 632 A HA 0.338 4.658 4.320 0.000 0.000 0.239 632 A C 1.627 179.147 177.584 -0.108 0.000 1.043 632 A CA 1.036 52.996 52.037 -0.128 0.000 0.756 632 A CB -1.390 17.567 19.000 -0.071 0.000 0.963 632 A HN 0.901 nan 8.150 nan 0.000 0.511 633 G N 0.972 109.719 108.800 -0.087 0.000 2.258 633 G HA2 -0.197 3.763 3.960 0.000 0.000 0.233 633 G HA3 -0.197 3.763 3.960 0.000 0.000 0.233 633 G C 0.124 174.977 174.900 -0.080 0.000 1.006 633 G CA 0.276 45.333 45.100 -0.072 0.000 0.620 633 G HN 0.929 nan 8.290 nan 0.000 0.511 634 L N 1.051 122.212 121.223 -0.103 0.000 2.334 634 L HA 0.617 4.957 4.340 0.000 0.000 0.275 634 L C 0.462 177.267 176.870 -0.109 0.000 1.036 634 L CA -0.959 53.819 54.840 -0.104 0.000 0.807 634 L CB 1.419 43.406 42.059 -0.120 0.000 1.231 634 L HN 0.171 nan 8.230 nan 0.000 0.438 635 E N 2.014 122.153 120.200 -0.101 0.000 2.349 635 E HA 0.279 4.629 4.350 0.000 0.000 0.265 635 E C -2.261 174.253 176.600 -0.142 0.000 1.064 635 E CA -1.716 54.621 56.400 -0.106 0.000 0.886 635 E CB 0.687 30.334 29.700 -0.088 0.000 1.036 635 E HN 0.331 nan 8.360 nan 0.000 0.413 636 P HA 0.124 nan 4.420 nan 0.000 0.271 636 P C -0.275 176.838 177.300 -0.312 0.000 1.244 636 P CA 0.285 63.245 63.100 -0.234 0.000 0.793 636 P CB 0.438 32.016 31.700 -0.203 0.000 0.984 637 G N -0.524 107.939 108.800 -0.563 0.000 2.707 637 G HA2 -0.060 3.900 3.960 0.000 0.000 0.686 637 G HA3 -0.060 3.900 3.960 0.000 0.000 0.686 637 G C -1.574 173.107 174.900 -0.366 0.000 1.315 637 G CA -0.765 43.933 45.100 -0.670 0.000 0.832 637 G HN 0.658 nan 8.290 nan 0.000 0.573 638 L N 1.773 122.865 121.223 -0.218 0.000 2.534 638 L HA 0.558 4.898 4.340 0.000 0.000 0.259 638 L C -0.124 176.752 176.870 0.010 0.000 1.108 638 L CA -0.313 54.495 54.840 -0.054 0.000 0.905 638 L CB 0.785 42.861 42.059 0.029 0.000 1.138 638 L HN 1.045 nan 8.230 nan 0.000 0.475 639 E N 3.067 123.265 120.200 -0.002 0.000 2.423 639 E HA 0.877 5.227 4.350 0.000 0.000 0.280 639 E C -1.759 174.851 176.600 0.016 0.000 1.030 639 E CA -0.998 55.414 56.400 0.019 0.000 0.812 639 E CB 2.522 32.244 29.700 0.038 0.000 1.313 639 E HN 0.324 nan 8.360 nan 0.000 0.456 640 A N 0.752 123.587 122.820 0.026 0.000 2.606 640 A HA 0.693 5.013 4.320 0.000 0.000 0.293 640 A C -1.489 176.129 177.584 0.056 0.000 1.082 640 A CA -0.676 51.384 52.037 0.038 0.000 0.685 640 A CB 1.943 20.965 19.000 0.035 0.000 1.284 640 A HN 0.382 nan 8.150 nan 0.000 0.408 641 V N 0.650 120.615 119.914 0.086 0.000 2.876 641 V HA 0.707 4.827 4.120 0.000 0.000 0.312 641 V C -0.905 175.300 176.094 0.184 0.000 1.085 641 V CA -0.409 61.963 62.300 0.121 0.000 0.945 641 V CB 2.015 33.926 31.823 0.147 0.000 1.017 641 V HN 1.084 nan 8.190 nan 0.000 0.428 642 H N 2.229 121.346 119.070 0.077 0.000 3.042 642 H HA 0.576 5.132 4.556 -0.000 0.000 0.345 642 H C -2.067 173.314 175.328 0.088 0.000 1.052 642 H CA -0.335 55.775 56.048 0.104 0.000 1.311 642 H CB 1.364 31.141 29.762 0.026 0.000 1.810 642 H HN 0.561 nan 8.280 nan 0.000 0.505 643 Y N 4.216 124.388 120.300 -0.213 0.000 2.334 643 Y HA 0.203 4.753 4.550 -0.000 0.000 0.336 643 Y C -0.949 174.957 175.900 0.011 0.000 0.960 643 Y CA -0.666 57.387 58.100 -0.080 0.000 1.164 643 Y CB 0.708 38.981 38.460 -0.312 0.000 1.155 643 Y HN 0.569 nan 8.280 nan 0.000 0.478 644 Y N 3.717 124.134 120.300 0.195 0.000 2.367 644 Y HA 0.298 4.848 4.550 0.000 0.000 0.342 644 Y C -0.452 175.551 175.900 0.171 0.000 0.979 644 Y CA -1.100 57.116 58.100 0.194 0.000 1.161 644 Y CB 0.598 39.150 38.460 0.153 0.000 1.155 644 Y HN 0.524 nan 8.280 nan 0.000 0.503 645 D N 9.170 129.381 120.400 -0.315 0.000 2.428 645 D HA 0.234 4.874 4.640 0.000 0.000 0.221 645 D C -2.649 173.271 176.300 -0.633 0.000 1.123 645 D CA -2.190 51.654 54.000 -0.259 0.000 0.869 645 D CB 0.935 41.644 40.800 -0.152 0.000 1.032 645 D HN 0.289 nan 8.370 nan 0.000 0.506 646 P HA 0.090 nan 4.420 nan 0.000 0.268 646 P C -2.043 175.102 177.300 -0.259 0.000 1.204 646 P CA -0.981 61.861 63.100 -0.431 0.000 0.768 646 P CB 0.927 32.589 31.700 -0.062 0.000 0.842 647 P HA -0.050 nan 4.420 nan 0.000 0.227 647 P C 0.291 177.512 177.300 -0.132 0.000 1.161 647 P CA 1.145 64.170 63.100 -0.125 0.000 0.788 647 P CB 0.453 32.113 31.700 -0.067 0.000 0.822 648 N N -2.233 116.348 118.700 -0.198 0.000 3.227 648 N HA 0.240 4.980 4.740 0.000 0.000 0.241 648 N C -1.276 174.221 175.510 -0.022 0.000 1.480 648 N CA -0.677 52.316 53.050 -0.095 0.000 0.886 648 N CB -0.069 38.305 38.487 -0.189 0.000 1.406 648 N HN -0.354 nan 8.380 nan 0.000 0.514 649 F N -0.099 119.932 119.950 0.136 0.000 2.352 649 F HA 0.451 4.978 4.527 0.000 0.000 0.304 649 F C 1.464 177.354 175.800 0.150 0.000 1.215 649 F CA 0.212 58.233 58.000 0.034 0.000 1.121 649 F CB 0.772 39.613 39.000 -0.264 0.000 1.329 649 F HN 0.149 nan 8.300 nan 0.000 0.528 650 T N -0.045 114.607 114.554 0.164 0.000 2.855 650 T HA 0.420 4.770 4.350 0.000 0.000 0.281 650 T C -1.477 173.113 174.700 -0.184 0.000 1.007 650 T CA -0.307 61.894 62.100 0.167 0.000 1.009 650 T CB 0.306 69.237 68.868 0.103 0.000 0.983 650 T HN 0.265 nan 8.240 nan 0.000 0.455 651 Y N 4.390 124.733 120.300 0.072 0.000 2.837 651 Y HA 0.313 4.863 4.550 0.000 0.000 0.356 651 Y C -2.131 173.775 175.900 0.010 0.000 1.035 651 Y CA -2.811 55.271 58.100 -0.029 0.000 1.165 651 Y CB 0.455 38.845 38.460 -0.117 0.000 1.147 651 Y HN 0.383 nan 8.280 nan 0.000 0.628 652 P HA 0.201 nan 4.420 nan 0.000 0.274 652 P C -0.608 176.682 177.300 -0.017 0.000 1.231 652 P CA -0.011 63.079 63.100 -0.016 0.000 0.790 652 P CB 1.270 32.921 31.700 -0.082 0.000 0.951 653 F N -0.896 118.908 119.950 -0.243 0.000 2.654 653 F HA 0.932 5.459 4.527 0.000 0.000 0.334 653 F C -0.301 175.047 175.800 -0.753 0.000 1.078 653 F CA -1.033 56.641 58.000 -0.544 0.000 0.986 653 F CB 1.318 40.075 39.000 -0.405 0.000 1.362 653 F HN 0.518 nan 8.300 nan 0.000 0.498 654 G N 0.286 108.404 108.800 -1.137 0.000 2.677 654 G HA2 0.656 4.616 3.960 0.000 0.000 0.291 654 G HA3 0.656 4.616 3.960 0.000 0.000 0.291 654 G C -2.255 172.289 174.900 -0.594 0.000 1.435 654 G CA -0.940 43.584 45.100 -0.959 0.000 0.826 654 G HN 0.811 nan 8.290 nan 0.000 0.491 655 I N 1.285 121.795 120.570 -0.100 0.000 2.531 655 I HA 0.278 4.448 4.170 0.000 0.000 0.283 655 I C -1.400 174.946 176.117 0.381 0.000 1.083 655 I CA -0.666 60.691 61.300 0.095 0.000 1.071 655 I CB 1.714 39.783 38.000 0.115 0.000 1.210 655 I HN 0.287 nan 8.210 nan 0.000 0.450 656 Y N 6.059 126.462 120.300 0.171 0.000 2.409 656 Y HA 0.679 5.229 4.550 0.000 0.000 0.339 656 Y C -0.337 175.473 175.900 -0.151 0.000 1.033 656 Y CA -1.604 56.515 58.100 0.031 0.000 1.094 656 Y CB 2.050 40.555 38.460 0.075 0.000 1.210 656 Y HN 0.396 nan 8.280 nan 0.000 0.456 657 L N 3.351 124.477 121.223 -0.161 0.000 2.408 657 L HA 0.793 5.133 4.340 0.000 0.000 0.268 657 L C -1.459 175.126 176.870 -0.476 0.000 0.986 657 L CA -0.421 54.301 54.840 -0.197 0.000 0.820 657 L CB 1.753 43.793 42.059 -0.032 0.000 1.303 657 L HN 0.837 nan 8.230 nan 0.000 0.411 658 C N 4.625 123.737 119.300 -0.315 0.000 2.609 658 C HA 0.807 5.267 4.460 0.000 0.000 0.313 658 C C -0.961 174.046 174.990 0.027 0.000 1.175 658 C CA -0.381 58.522 59.018 -0.191 0.000 1.434 658 C CB 1.419 29.072 27.740 -0.144 0.000 2.005 658 C HN 0.616 nan 8.230 nan 0.000 0.471 659 V N 6.365 126.337 119.914 0.097 0.000 2.417 659 V HA 0.704 4.824 4.120 0.000 0.000 0.291 659 V C 0.098 176.275 176.094 0.138 0.000 1.024 659 V CA -0.254 62.103 62.300 0.094 0.000 0.861 659 V CB 1.488 33.351 31.823 0.067 0.000 0.985 659 V HN 0.953 nan 8.190 nan 0.000 0.436 660 V N 0.958 120.945 119.914 0.121 0.000 2.914 660 V HA 0.783 4.903 4.120 0.000 0.000 0.314 660 V C -1.185 174.955 176.094 0.077 0.000 1.084 660 V CA -0.674 61.707 62.300 0.134 0.000 0.963 660 V CB 2.595 34.521 31.823 0.172 0.000 1.025 660 V HN 0.745 nan 8.190 nan 0.000 0.432 661 D N 3.246 123.690 120.400 0.073 0.000 2.549 661 D HA 0.533 5.173 4.640 0.000 0.000 0.251 661 D C -0.712 175.616 176.300 0.047 0.000 1.153 661 D CA 0.027 54.050 54.000 0.039 0.000 0.861 661 D CB 2.363 43.181 40.800 0.030 0.000 1.207 661 D HN 0.605 nan 8.370 nan 0.000 0.543 662 I N 1.405 121.990 120.570 0.026 0.000 2.331 662 I HA 0.072 4.242 4.170 0.000 0.000 0.292 662 I C 0.555 176.688 176.117 0.026 0.000 0.998 662 I CA -0.615 60.707 61.300 0.036 0.000 1.267 662 I CB 1.415 39.426 38.000 0.018 0.000 1.386 662 I HN 0.135 nan 8.210 nan 0.000 0.476 663 D N 7.011 127.443 120.400 0.054 0.000 2.338 663 D HA 0.058 4.698 4.640 0.000 0.000 0.255 663 D C 1.137 177.483 176.300 0.077 0.000 1.237 663 D CA 0.006 54.039 54.000 0.056 0.000 0.883 663 D CB 0.917 41.756 40.800 0.065 0.000 1.087 663 D HN 0.458 nan 8.370 nan 0.000 0.485 664 R N 2.835 123.366 120.500 0.051 0.000 2.189 664 R HA -0.092 4.248 4.340 0.000 0.000 0.223 664 R C 1.533 177.912 176.300 0.132 0.000 1.092 664 R CA 0.925 57.060 56.100 0.059 0.000 0.989 664 R CB 0.087 30.395 30.300 0.014 0.000 0.876 664 R HN 0.406 nan 8.270 nan 0.000 0.457 665 A N 0.422 123.321 122.820 0.131 0.000 2.132 665 A HA -0.041 4.279 4.320 0.000 0.000 0.213 665 A C 1.831 179.538 177.584 0.205 0.000 1.154 665 A CA 1.279 53.414 52.037 0.165 0.000 0.753 665 A CB 0.116 19.174 19.000 0.098 0.000 0.826 665 A HN 0.392 nan 8.150 nan 0.000 0.469 666 T N -6.811 107.854 114.554 0.185 0.000 2.986 666 T HA 0.427 4.777 4.350 0.000 0.000 0.264 666 T C 1.346 176.165 174.700 0.198 0.000 0.964 666 T CA 1.071 63.244 62.100 0.121 0.000 0.895 666 T CB 0.357 69.252 68.868 0.046 0.000 1.163 666 T HN 1.616 nan 8.240 nan 0.000 0.517 667 G N 1.615 110.577 108.800 0.270 0.000 2.179 667 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 667 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 667 G C -0.245 174.760 174.900 0.176 0.000 0.977 667 G CA 0.095 45.362 45.100 0.278 0.000 0.641 667 G HN 0.678 nan 8.290 nan 0.000 0.533 668 E N 0.951 121.226 120.200 0.125 0.000 2.344 668 E HA 0.423 4.773 4.350 0.000 0.000 0.270 668 E C -0.129 176.528 176.600 0.094 0.000 1.021 668 E CA 0.396 56.851 56.400 0.092 0.000 0.887 668 E CB 0.633 30.374 29.700 0.069 0.000 0.997 668 E HN 0.140 nan 8.360 nan 0.000 0.429 669 T N 3.464 118.074 114.554 0.093 0.000 2.770 669 T HA 0.258 4.608 4.350 0.000 0.000 0.283 669 T C -0.410 174.365 174.700 0.125 0.000 0.988 669 T CA -0.678 61.487 62.100 0.108 0.000 0.957 669 T CB 0.830 69.767 68.868 0.114 0.000 0.930 669 T HN 0.127 nan 8.240 nan 0.000 0.443 670 K N 3.338 123.808 120.400 0.117 0.000 2.339 670 K HA 0.482 4.802 4.320 0.000 0.000 0.264 670 K C -0.790 175.893 176.600 0.138 0.000 0.986 670 K CA -0.666 55.690 56.287 0.114 0.000 0.866 670 K CB 0.795 33.337 32.500 0.070 0.000 1.103 670 K HN 0.337 nan 8.250 nan 0.000 0.441 671 V N 6.734 126.752 119.914 0.174 0.000 2.421 671 V HA 0.106 4.226 4.120 0.000 0.000 0.271 671 V C 1.578 177.745 176.094 0.123 0.000 1.031 671 V CA 0.150 62.581 62.300 0.220 0.000 1.032 671 V CB 0.651 32.651 31.823 0.295 0.000 1.009 671 V HN 0.783 nan 8.190 nan 0.000 0.477 672 R N 4.296 124.870 120.500 0.124 0.000 2.127 672 R HA 0.167 4.507 4.340 0.000 0.000 0.217 672 R C 0.906 177.263 176.300 0.094 0.000 1.074 672 R CA 0.613 56.761 56.100 0.080 0.000 0.991 672 R CB 0.348 30.687 30.300 0.065 0.000 0.895 672 R HN 0.680 nan 8.270 nan 0.000 0.450 673 R N -0.900 119.691 120.500 0.151 0.000 2.634 673 R HA 0.199 4.539 4.340 0.000 0.000 0.263 673 R C -2.286 174.188 176.300 0.290 0.000 1.060 673 R CA -0.574 55.640 56.100 0.189 0.000 0.898 673 R CB 1.176 31.566 30.300 0.149 0.000 1.253 673 R HN -0.011 nan 8.270 nan 0.000 0.461 674 F N 3.487 123.553 119.950 0.193 0.000 2.585 674 F HA 0.420 4.947 4.527 0.000 0.000 0.319 674 F C -1.956 174.001 175.800 0.262 0.000 1.165 674 F CA -0.511 57.637 58.000 0.247 0.000 0.949 674 F CB 1.528 40.760 39.000 0.385 0.000 1.218 674 F HN 0.500 nan 8.300 nan 0.000 0.453 675 Y N 4.732 125.024 120.300 -0.014 0.000 2.328 675 Y HA 0.754 5.304 4.550 0.000 0.000 0.333 675 Y C -0.903 175.028 175.900 0.053 0.000 0.958 675 Y CA -0.765 57.393 58.100 0.096 0.000 1.167 675 Y CB 1.411 39.902 38.460 0.052 0.000 1.151 675 Y HN 0.731 nan 8.280 nan 0.000 0.470 676 A N 7.304 130.157 122.820 0.054 0.000 2.304 676 A HA 0.630 4.950 4.320 0.000 0.000 0.314 676 A C -1.886 175.792 177.584 0.156 0.000 1.187 676 A CA -0.706 51.357 52.037 0.043 0.000 0.810 676 A CB 0.657 19.458 19.000 -0.331 0.000 1.183 676 A HN 0.829 nan 8.150 nan 0.000 0.487 677 L N 3.088 124.558 121.223 0.410 0.000 2.325 677 L HA 0.562 4.902 4.340 0.000 0.000 0.281 677 L C -1.349 175.668 176.870 0.244 0.000 1.004 677 L CA -0.394 54.615 54.840 0.282 0.000 0.823 677 L CB 1.293 43.522 42.059 0.283 0.000 1.236 677 L HN 0.651 nan 8.230 nan 0.000 0.415 678 D N 3.358 123.831 120.400 0.122 0.000 2.481 678 D HA 0.286 4.926 4.640 0.000 0.000 0.244 678 D C -1.537 174.639 176.300 -0.206 0.000 1.057 678 D CA -0.309 53.671 54.000 -0.034 0.000 0.848 678 D CB 2.663 43.502 40.800 0.066 0.000 1.388 678 D HN 0.420 nan 8.370 nan 0.000 0.475 679 D N 1.465 121.545 120.400 -0.532 0.000 2.440 679 D HA 0.165 4.805 4.640 0.000 0.000 0.252 679 D C 0.148 176.159 176.300 -0.482 0.000 1.180 679 D CA -0.590 53.039 54.000 -0.617 0.000 0.894 679 D CB 0.447 40.491 40.800 -1.260 0.000 1.111 679 D HN 0.390 nan 8.370 nan 0.000 0.544 680 C N 2.556 121.703 119.300 -0.255 0.000 2.548 680 C HA 0.809 5.269 4.460 0.000 0.000 0.297 680 C C 1.275 176.171 174.990 -0.156 0.000 1.422 680 C CA 0.072 58.981 59.018 -0.182 0.000 1.785 680 C CB -1.038 26.619 27.740 -0.138 0.000 2.593 680 C HN 0.717 nan 8.230 nan 0.000 0.545 681 G N 1.764 110.477 108.800 -0.144 0.000 2.552 681 G HA2 -0.163 3.797 3.960 0.000 0.000 0.265 681 G HA3 -0.163 3.797 3.960 0.000 0.000 0.265 681 G C -0.137 174.704 174.900 -0.099 0.000 1.234 681 G CA 0.052 45.087 45.100 -0.108 0.000 0.944 681 G HN 0.761 nan 8.290 nan 0.000 0.568 682 T N 2.522 117.016 114.554 -0.101 0.000 2.908 682 T HA 0.401 4.751 4.350 0.000 0.000 0.301 682 T C 0.873 175.513 174.700 -0.100 0.000 1.019 682 T CA 0.529 62.579 62.100 -0.083 0.000 1.152 682 T CB 0.180 69.003 68.868 -0.075 0.000 0.966 682 T HN 0.592 nan 8.240 nan 0.000 0.540 683 R N 3.364 123.812 120.500 -0.088 0.000 2.229 683 R HA 0.383 4.723 4.340 0.000 0.000 0.328 683 R C 0.941 177.194 176.300 -0.078 0.000 1.009 683 R CA -0.551 55.487 56.100 -0.103 0.000 0.864 683 R CB 1.079 31.294 30.300 -0.141 0.000 1.085 683 R HN 0.630 nan 8.270 nan 0.000 0.453 684 I N 1.125 121.653 120.570 -0.069 0.000 2.235 684 I HA -0.132 4.038 4.170 0.000 0.000 0.241 684 I C 0.798 176.891 176.117 -0.040 0.000 1.085 684 I CA 0.963 62.237 61.300 -0.043 0.000 1.378 684 I CB 0.066 38.051 38.000 -0.024 0.000 1.076 684 I HN 0.498 nan 8.210 nan 0.000 0.415 685 N N 0.172 118.842 118.700 -0.051 0.000 2.581 685 N HA 0.192 4.932 4.740 0.000 0.000 0.279 685 N C -2.280 173.185 175.510 -0.075 0.000 1.124 685 N CA -1.533 51.488 53.050 -0.049 0.000 0.833 685 N CB 1.787 40.255 38.487 -0.031 0.000 1.338 685 N HN -0.234 nan 8.380 nan 0.000 0.533 686 P HA -0.139 nan 4.420 nan 0.000 0.216 686 P C 1.712 178.947 177.300 -0.108 0.000 1.150 686 P CA 1.164 64.189 63.100 -0.126 0.000 0.843 686 P CB 0.336 31.964 31.700 -0.120 0.000 0.787 687 M N -1.316 118.239 119.600 -0.075 0.000 2.099 687 M HA -0.145 4.335 4.480 0.000 0.000 0.262 687 M C 1.905 178.157 176.300 -0.080 0.000 1.067 687 M CA 1.980 57.240 55.300 -0.066 0.000 1.124 687 M CB -0.543 32.035 32.600 -0.036 0.000 1.353 687 M HN -0.148 nan 8.290 nan 0.000 0.410 688 I N 0.312 120.843 120.570 -0.065 0.000 2.315 688 I HA -0.299 3.871 4.170 0.000 0.000 0.248 688 I C 2.208 178.275 176.117 -0.083 0.000 1.117 688 I CA 1.058 62.322 61.300 -0.059 0.000 1.404 688 I CB -0.253 37.725 38.000 -0.036 0.000 1.071 688 I HN 0.345 nan 8.210 nan 0.000 0.419 689 I N 0.485 120.994 120.570 -0.100 0.000 2.226 689 I HA -0.308 3.862 4.170 0.000 0.000 0.245 689 I C 2.580 178.600 176.117 -0.162 0.000 1.100 689 I CA 1.456 62.687 61.300 -0.116 0.000 1.374 689 I CB -0.350 37.570 38.000 -0.134 0.000 1.057 689 I HN 0.280 nan 8.210 nan 0.000 0.413 690 E N 1.012 121.087 120.200 -0.209 0.000 2.110 690 E HA -0.200 4.150 4.350 0.000 0.000 0.193 690 E C 2.252 178.533 176.600 -0.531 0.000 0.988 690 E CA 1.316 57.499 56.400 -0.361 0.000 0.804 690 E CB -0.171 29.331 29.700 -0.329 0.000 0.745 690 E HN 0.526 nan 8.360 nan 0.000 0.458 691 G N 0.428 109.048 108.800 -0.300 0.000 2.402 691 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 691 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 691 G C 1.505 176.339 174.900 -0.109 0.000 1.162 691 G CA 0.420 45.409 45.100 -0.185 0.000 0.777 691 G HN 0.182 nan 8.290 nan 0.000 0.539 692 Q N 0.183 119.926 119.800 -0.095 0.000 2.124 692 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 692 Q C 2.713 178.675 176.000 -0.064 0.000 0.977 692 Q CA 0.656 56.435 55.803 -0.040 0.000 0.850 692 Q CB -0.337 28.385 28.738 -0.027 0.000 0.901 692 Q HN 0.420 nan 8.270 nan 0.000 0.429 693 I N 0.225 120.718 120.570 -0.129 0.000 2.163 693 I HA -0.241 3.929 4.170 0.000 0.000 0.240 693 I C 2.223 178.204 176.117 -0.226 0.000 1.081 693 I CA 1.431 62.636 61.300 -0.160 0.000 1.353 693 I CB -1.541 36.360 38.000 -0.164 0.000 1.054 693 I HN 0.339 nan 8.210 nan 0.000 0.407 694 H N 0.290 119.203 119.070 -0.262 0.000 2.319 694 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 694 H C 2.319 177.476 175.328 -0.284 0.000 1.097 694 H CA 0.999 56.860 56.048 -0.312 0.000 1.285 694 H CB -0.278 29.466 29.762 -0.029 0.000 1.368 694 H HN 0.416 nan 8.280 nan 0.000 0.495 695 G N -0.093 108.708 108.800 0.002 0.000 2.421 695 G HA2 -0.237 3.724 3.960 0.000 0.000 0.216 695 G HA3 -0.237 3.724 3.960 0.000 0.000 0.216 695 G C 1.942 176.808 174.900 -0.057 0.000 1.171 695 G CA 0.694 45.795 45.100 0.002 0.000 0.775 695 G HN 0.484 nan 8.290 nan 0.000 0.543 696 G N 0.782 109.538 108.800 -0.073 0.000 2.422 696 G HA2 -0.124 3.836 3.960 0.000 0.000 0.218 696 G HA3 -0.124 3.836 3.960 0.000 0.000 0.218 696 G C 1.806 176.594 174.900 -0.187 0.000 1.146 696 G CA 0.682 45.757 45.100 -0.042 0.000 0.769 696 G HN 0.416 nan 8.290 nan 0.000 0.547 697 L N 0.524 121.451 121.223 -0.493 0.000 2.083 697 L HA -0.077 4.263 4.340 0.000 0.000 0.209 697 L C 3.131 179.662 176.870 -0.564 0.000 1.083 697 L CA 1.467 55.774 54.840 -0.889 0.000 0.752 697 L CB -0.791 40.071 42.059 -1.996 0.000 0.899 697 L HN 0.172 nan 8.230 nan 0.000 0.433 698 T N -0.735 113.634 114.554 -0.308 0.000 2.777 698 T HA -0.169 4.181 4.350 0.000 0.000 0.266 698 T C 1.717 176.498 174.700 0.135 0.000 1.040 698 T CA 1.252 63.440 62.100 0.147 0.000 1.141 698 T CB -0.134 68.838 68.868 0.173 0.000 0.868 698 T HN 0.405 nan 8.240 nan 0.000 0.444 699 E N 0.584 120.816 120.200 0.054 0.000 2.106 699 E HA -0.043 4.307 4.350 0.000 0.000 0.192 699 E C 2.569 179.162 176.600 -0.012 0.000 0.984 699 E CA 0.808 57.271 56.400 0.104 0.000 0.806 699 E CB -0.349 29.492 29.700 0.234 0.000 0.750 699 E HN 0.535 nan 8.360 nan 0.000 0.458 700 G N 0.640 109.394 108.800 -0.076 0.000 2.418 700 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 700 G HA3 -0.313 3.647 3.960 0.000 0.000 0.217 700 G C 1.406 176.366 174.900 0.101 0.000 1.158 700 G CA 0.853 45.925 45.100 -0.048 0.000 0.771 700 G HN 0.303 nan 8.290 nan 0.000 0.545 701 Y N 1.883 122.164 120.300 -0.030 0.000 2.181 701 Y HA 0.016 4.566 4.550 0.000 0.000 0.288 701 Y C 2.937 178.738 175.900 -0.165 0.000 1.146 701 Y CA 1.561 59.395 58.100 -0.443 0.000 1.164 701 Y CB -0.210 38.169 38.460 -0.135 0.000 0.982 701 Y HN 0.254 nan 8.280 nan 0.000 0.515 702 A N -0.590 122.290 122.820 0.100 0.000 1.902 702 A HA -0.165 4.155 4.320 0.000 0.000 0.217 702 A C 2.272 179.867 177.584 0.018 0.000 1.181 702 A CA 2.115 54.272 52.037 0.200 0.000 0.623 702 A CB -1.289 17.831 19.000 0.200 0.000 0.818 702 A HN 0.347 nan 8.150 nan 0.000 0.443 703 V N -0.365 119.524 119.914 -0.042 0.000 2.323 703 V HA -0.174 3.946 4.120 0.000 0.000 0.244 703 V C 3.041 179.032 176.094 -0.171 0.000 1.041 703 V CA 1.904 64.161 62.300 -0.071 0.000 1.025 703 V CB -1.229 30.533 31.823 -0.103 0.000 0.656 703 V HN 0.600 nan 8.190 nan 0.000 0.451 704 A N -0.404 122.299 122.820 -0.194 0.000 1.930 704 A HA -0.127 4.193 4.320 0.000 0.000 0.217 704 A C 2.073 179.444 177.584 -0.355 0.000 1.175 704 A CA 1.788 53.703 52.037 -0.205 0.000 0.627 704 A CB -0.316 18.728 19.000 0.075 0.000 0.815 704 A HN 0.440 nan 8.150 nan 0.000 0.443 705 M N -1.683 117.596 119.600 -0.535 0.000 2.465 705 M HA 0.208 4.688 4.480 0.000 0.000 0.249 705 M C 1.600 177.463 176.300 -0.728 0.000 1.130 705 M CA 1.086 56.009 55.300 -0.628 0.000 1.067 705 M CB -0.250 31.745 32.600 -1.008 0.000 1.394 705 M HN 0.467 nan 8.290 nan 0.000 0.483 706 G N -0.779 107.599 108.800 -0.704 0.000 2.293 706 G HA2 0.095 4.055 3.960 0.000 0.000 0.180 706 G HA3 0.095 4.055 3.960 0.000 0.000 0.180 706 G C 0.314 175.010 174.900 -0.340 0.000 1.517 706 G CA -0.363 44.259 45.100 -0.798 0.000 0.645 706 G HN 0.340 nan 8.290 nan 0.000 1.119 707 Q N 0.983 120.672 119.800 -0.184 0.000 2.337 707 Q HA 0.467 4.807 4.340 0.000 0.000 0.270 707 Q C -0.168 175.825 176.000 -0.013 0.000 1.002 707 Q CA 0.468 56.190 55.803 -0.135 0.000 0.888 707 Q CB 0.644 29.350 28.738 -0.054 0.000 1.222 707 Q HN 0.683 nan 8.270 nan 0.000 0.400 708 Q N 0.960 120.820 119.800 0.100 0.000 2.721 708 Q HA 0.471 4.811 4.340 0.000 0.000 0.282 708 Q C -1.502 174.631 176.000 0.222 0.000 0.932 708 Q CA -0.743 55.151 55.803 0.151 0.000 0.816 708 Q CB 1.127 29.913 28.738 0.081 0.000 1.506 708 Q HN 0.553 nan 8.270 nan 0.000 0.399 709 M N 2.184 121.877 119.600 0.155 0.000 2.126 709 M HA 0.379 4.859 4.480 0.000 0.000 0.217 709 M C -2.579 173.671 176.300 -0.083 0.000 0.873 709 M CA -1.481 53.830 55.300 0.018 0.000 0.707 709 M CB 1.711 34.315 32.600 0.006 0.000 1.515 709 M HN 0.416 nan 8.290 nan 0.000 0.369 710 P HA 0.352 nan 4.420 nan 0.000 0.278 710 P C -1.249 175.930 177.300 -0.201 0.000 1.238 710 P CA 0.011 63.106 63.100 -0.008 0.000 0.794 710 P CB 0.764 32.493 31.700 0.047 0.000 0.955 711 F N 1.185 121.162 119.950 0.046 0.000 2.520 711 F HA 0.240 4.767 4.527 0.000 0.000 0.322 711 F C 0.918 176.736 175.800 0.030 0.000 1.103 711 F CA -0.382 57.636 58.000 0.031 0.000 0.926 711 F CB 1.245 40.257 39.000 0.020 0.000 1.154 711 F HN 0.270 nan 8.300 nan 0.000 0.453 712 D N 1.295 121.808 120.400 0.187 0.000 2.411 712 D HA 0.363 5.003 4.640 0.000 0.000 0.251 712 D C 1.119 177.490 176.300 0.119 0.000 1.201 712 D CA -0.375 53.697 54.000 0.120 0.000 0.996 712 D CB 0.496 41.340 40.800 0.074 0.000 1.101 712 D HN 0.538 nan 8.370 nan 0.000 0.504 713 A N -0.441 122.427 122.820 0.079 0.000 2.032 713 A HA -0.260 4.060 4.320 0.000 0.000 0.221 713 A C 1.869 179.488 177.584 0.058 0.000 1.165 713 A CA 1.561 53.634 52.037 0.059 0.000 0.645 713 A CB -0.822 18.204 19.000 0.043 0.000 0.807 713 A HN 0.645 nan 8.150 nan 0.000 0.453 714 Q N -1.778 118.060 119.800 0.065 0.000 2.403 714 Q HA 0.274 4.614 4.340 0.000 0.000 0.203 714 Q C 1.032 177.080 176.000 0.080 0.000 0.932 714 Q CA 0.303 56.142 55.803 0.059 0.000 0.945 714 Q CB 0.145 28.910 28.738 0.046 0.000 1.045 714 Q HN 0.891 nan 8.270 nan 0.000 0.511 715 G N 1.670 110.541 108.800 0.118 0.000 2.136 715 G HA2 -0.208 3.752 3.960 0.000 0.000 0.242 715 G HA3 -0.208 3.752 3.960 0.000 0.000 0.242 715 G C -0.231 174.834 174.900 0.276 0.000 0.989 715 G CA -0.234 44.970 45.100 0.173 0.000 0.682 715 G HN 0.257 nan 8.290 nan 0.000 0.522 716 N N 0.224 119.042 118.700 0.196 0.000 2.488 716 N HA 0.343 5.083 4.740 0.000 0.000 0.274 716 N C 0.426 175.983 175.510 0.079 0.000 1.111 716 N CA -0.327 52.801 53.050 0.129 0.000 0.974 716 N CB 1.446 39.966 38.487 0.055 0.000 1.089 716 N HN 0.312 nan 8.380 nan 0.000 0.465 717 L N 3.055 124.259 121.223 -0.030 0.000 2.410 717 L HA 0.220 4.560 4.340 0.000 0.000 0.273 717 L C -0.277 176.456 176.870 -0.228 0.000 1.144 717 L CA -0.205 54.421 54.840 -0.357 0.000 0.863 717 L CB 0.333 42.214 42.059 -0.298 0.000 1.140 717 L HN 0.274 nan 8.230 nan 0.000 0.463 718 L N 3.801 124.868 121.223 -0.260 0.000 2.331 718 L HA 0.475 4.815 4.340 0.000 0.000 0.275 718 L C 0.999 177.806 176.870 -0.105 0.000 1.022 718 L CA -0.543 54.220 54.840 -0.128 0.000 0.812 718 L CB 1.500 43.514 42.059 -0.076 0.000 1.257 718 L HN 0.837 nan 8.230 nan 0.000 0.435 719 G N 1.807 110.578 108.800 -0.049 0.000 2.295 719 G HA2 -0.284 3.676 3.960 0.000 0.000 0.287 719 G HA3 -0.284 3.676 3.960 0.000 0.000 0.287 719 G C 0.349 175.251 174.900 0.003 0.000 1.055 719 G CA 0.494 45.596 45.100 0.003 0.000 0.922 719 G HN 0.883 nan 8.290 nan 0.000 0.503 720 N N -0.172 118.489 118.700 -0.066 0.000 2.313 720 N HA 0.162 4.902 4.740 0.000 0.000 0.207 720 N C 0.710 176.152 175.510 -0.114 0.000 1.141 720 N CA 0.743 53.715 53.050 -0.130 0.000 0.830 720 N CB 0.091 38.481 38.487 -0.162 0.000 1.008 720 N HN 0.803 nan 8.380 nan 0.000 0.481 721 T N -4.158 110.373 114.554 -0.037 0.000 2.864 721 T HA 0.439 4.789 4.350 0.000 0.000 0.289 721 T C 0.840 175.567 174.700 0.045 0.000 1.082 721 T CA -0.915 61.171 62.100 -0.024 0.000 1.009 721 T CB 0.814 69.665 68.868 -0.028 0.000 1.234 721 T HN -0.082 nan 8.240 nan 0.000 0.526 722 L N 0.636 121.877 121.223 0.031 0.000 2.633 722 L HA 0.004 4.344 4.340 0.000 0.000 0.235 722 L C 2.503 179.394 176.870 0.035 0.000 1.163 722 L CA 0.442 55.312 54.840 0.050 0.000 0.859 722 L CB -0.607 41.459 42.059 0.013 0.000 0.973 722 L HN 0.629 nan 8.230 nan 0.000 0.451 723 M N -0.781 118.835 119.600 0.026 0.000 2.159 723 M HA -0.174 4.306 4.480 0.000 0.000 0.263 723 M C 1.110 177.429 176.300 0.033 0.000 1.063 723 M CA 1.748 57.058 55.300 0.017 0.000 1.110 723 M CB -0.322 32.281 32.600 0.005 0.000 1.374 723 M HN 0.317 nan 8.290 nan 0.000 0.411 724 D N -2.307 118.128 120.400 0.058 0.000 2.403 724 D HA 0.035 4.675 4.640 0.000 0.000 0.280 724 D C -0.001 176.367 176.300 0.114 0.000 1.091 724 D CA -0.045 53.997 54.000 0.070 0.000 0.884 724 D CB 0.309 41.138 40.800 0.049 0.000 1.427 724 D HN 0.148 nan 8.370 nan 0.000 0.504 725 Y N 2.277 122.592 120.300 0.025 0.000 2.713 725 Y HA 0.056 4.606 4.550 -0.000 0.000 0.341 725 Y C -0.260 175.695 175.900 0.093 0.000 1.167 725 Y CA -0.630 57.500 58.100 0.050 0.000 1.503 725 Y CB -0.266 38.195 38.460 0.003 0.000 1.199 725 Y HN -0.228 nan 8.280 nan 0.000 0.525 726 F N 7.530 127.164 119.950 -0.527 0.000 2.578 726 F HA 0.293 4.820 4.527 0.000 0.000 0.381 726 F C -0.962 174.638 175.800 -0.334 0.000 1.069 726 F CA 0.013 57.794 58.000 -0.365 0.000 1.231 726 F CB 0.080 38.893 39.000 -0.311 0.000 1.086 726 F HN 0.412 nan 8.300 nan 0.000 0.564 727 L N 9.007 129.734 121.223 -0.827 0.000 2.504 727 L HA 0.318 4.658 4.340 0.000 0.000 0.265 727 L C -2.183 174.227 176.870 -0.766 0.000 0.975 727 L CA -1.975 52.507 54.840 -0.596 0.000 0.864 727 L CB 2.050 43.964 42.059 -0.241 0.000 1.212 727 L HN 0.506 nan 8.230 nan 0.000 0.416 728 P HA 0.090 nan 4.420 nan 0.000 0.268 728 P C -0.231 176.947 177.300 -0.203 0.000 1.205 728 P CA 0.015 62.871 63.100 -0.406 0.000 0.771 728 P CB 1.110 32.788 31.700 -0.038 0.000 0.858 729 T N -1.759 112.711 114.554 -0.140 0.000 2.893 729 T HA 0.511 4.861 4.350 0.000 0.000 0.279 729 T C 1.447 176.102 174.700 -0.075 0.000 0.991 729 T CA -0.092 61.952 62.100 -0.093 0.000 0.950 729 T CB 0.602 69.426 68.868 -0.074 0.000 1.223 729 T HN 0.305 nan 8.240 nan 0.000 0.585 730 A N 0.013 122.795 122.820 -0.064 0.000 2.024 730 A HA 0.045 4.365 4.320 0.000 0.000 0.220 730 A C 2.286 179.819 177.584 -0.085 0.000 1.164 730 A CA 1.673 53.669 52.037 -0.069 0.000 0.643 730 A CB -1.274 17.695 19.000 -0.051 0.000 0.806 730 A HN 0.686 nan 8.150 nan 0.000 0.451 731 V N -0.392 119.482 119.914 -0.067 0.000 2.379 731 V HA -0.161 3.959 4.120 0.000 0.000 0.245 731 V C 2.355 178.405 176.094 -0.073 0.000 1.044 731 V CA 2.160 64.423 62.300 -0.061 0.000 1.036 731 V CB -0.648 31.155 31.823 -0.032 0.000 0.664 731 V HN 0.530 nan 8.190 nan 0.000 0.453 732 E N -0.152 120.018 120.200 -0.050 0.000 2.285 732 E HA -0.025 4.325 4.350 0.000 0.000 0.194 732 E C 0.935 177.381 176.600 -0.256 0.000 0.997 732 E CA 0.340 56.725 56.400 -0.025 0.000 0.845 732 E CB -0.299 29.513 29.700 0.187 0.000 0.782 732 E HN 0.496 nan 8.360 nan 0.000 0.491 733 T N 4.143 118.536 114.554 -0.269 0.000 2.779 733 T HA 0.182 4.532 4.350 0.000 0.000 0.296 733 T C -2.167 172.185 174.700 -0.580 0.000 0.938 733 T CA -1.226 60.617 62.100 -0.429 0.000 1.119 733 T CB 0.866 69.614 68.868 -0.200 0.000 0.891 733 T HN 0.038 nan 8.240 nan 0.000 0.526 734 P HA 0.156 nan 4.420 nan 0.000 0.276 734 P C -0.646 175.995 177.300 -1.098 0.000 1.252 734 P CA -0.587 61.996 63.100 -0.862 0.000 0.802 734 P CB 0.573 31.771 31.700 -0.837 0.000 1.035 735 H N 0.319 118.975 119.070 -0.690 0.000 2.819 735 H HA 0.231 4.787 4.556 -0.000 0.000 0.303 735 H C -0.704 174.342 175.328 -0.470 0.000 1.058 735 H CA 0.099 55.826 56.048 -0.536 0.000 1.471 735 H CB -0.003 29.606 29.762 -0.256 0.000 1.480 735 H HN 0.314 nan 8.280 nan 0.000 0.517 736 W N 4.327 125.264 121.300 -0.605 0.000 2.365 736 W HA 0.303 4.963 4.660 -0.000 0.000 0.316 736 W C -0.142 176.179 176.519 -0.331 0.000 1.164 736 W CA -0.818 56.315 57.345 -0.354 0.000 1.204 736 W CB 0.766 30.026 29.460 -0.333 0.000 1.213 736 W HN 0.555 nan 8.180 nan 0.000 0.539 737 E N 1.815 122.098 120.200 0.139 0.000 2.151 737 E HA 0.336 4.686 4.350 0.000 0.000 0.275 737 E C -0.189 176.285 176.600 -0.210 0.000 0.936 737 E CA -0.565 55.819 56.400 -0.026 0.000 0.777 737 E CB 1.468 31.151 29.700 -0.027 0.000 1.108 737 E HN 0.359 nan 8.360 nan 0.000 0.401 738 T N 0.008 114.461 114.554 -0.169 0.000 2.885 738 T HA 0.562 4.912 4.350 0.000 0.000 0.285 738 T C -0.579 174.031 174.700 -0.151 0.000 1.019 738 T CA -0.917 61.090 62.100 -0.156 0.000 1.010 738 T CB 2.215 71.069 68.868 -0.024 0.000 1.022 738 T HN 0.265 nan 8.240 nan 0.000 0.466 739 D N -0.481 119.884 120.400 -0.057 0.000 2.626 739 D HA 0.477 5.117 4.640 0.000 0.000 0.278 739 D C -1.273 175.136 176.300 0.182 0.000 1.211 739 D CA -0.122 53.931 54.000 0.089 0.000 0.903 739 D CB 2.203 43.109 40.800 0.176 0.000 1.408 739 D HN 0.979 nan 8.370 nan 0.000 0.454 740 H N -2.537 116.552 119.070 0.032 0.000 2.950 740 H HA 0.537 5.093 4.556 0.000 0.000 0.307 740 H C -1.515 173.805 175.328 -0.012 0.000 1.403 740 H CA -0.617 55.420 56.048 -0.018 0.000 1.145 740 H CB 0.946 30.677 29.762 -0.051 0.000 1.844 740 H HN 0.434 nan 8.280 nan 0.000 0.515 741 T N -1.239 113.270 114.554 -0.075 0.000 2.841 741 T HA 0.596 4.946 4.350 0.000 0.000 0.296 741 T C -0.998 173.715 174.700 0.022 0.000 1.166 741 T CA -0.798 61.254 62.100 -0.080 0.000 1.007 741 T CB 1.718 70.586 68.868 0.000 0.000 1.253 741 T HN 0.445 nan 8.240 nan 0.000 0.511 742 V N 1.616 121.548 119.914 0.031 0.000 2.380 742 V HA 0.549 4.669 4.120 0.000 0.000 0.286 742 V C -0.400 175.704 176.094 0.016 0.000 1.015 742 V CA -0.619 61.696 62.300 0.024 0.000 0.834 742 V CB 1.256 33.108 31.823 0.048 0.000 1.009 742 V HN 1.138 nan 8.190 nan 0.000 0.428 743 T N 6.516 121.074 114.554 0.007 0.000 3.150 743 T HA 0.357 4.707 4.350 0.000 0.000 0.383 743 T C -2.652 172.041 174.700 -0.012 0.000 1.313 743 T CA -1.259 60.860 62.100 0.031 0.000 1.235 743 T CB 1.291 70.245 68.868 0.143 0.000 1.088 743 T HN 0.345 nan 8.240 nan 0.000 0.556 744 P HA 0.085 nan 4.420 nan 0.000 0.266 744 P C -0.044 177.223 177.300 -0.055 0.000 1.193 744 P CA -0.172 62.898 63.100 -0.050 0.000 0.770 744 P CB 0.480 32.160 31.700 -0.034 0.000 0.836 745 S N 3.339 118.983 115.700 -0.094 0.000 2.448 745 S HA 0.228 4.698 4.470 0.000 0.000 0.279 745 S C -1.524 173.002 174.600 -0.122 0.000 1.195 745 S CA -1.392 56.728 58.200 -0.134 0.000 1.051 745 S CB -0.210 62.828 63.200 -0.269 0.000 0.948 745 S HN 0.216 nan 8.310 nan 0.000 0.493 746 P HA -0.136 nan 4.420 nan 0.000 0.215 746 P C 0.775 178.115 177.300 0.066 0.000 1.153 746 P CA 1.468 64.591 63.100 0.038 0.000 0.853 746 P CB -0.074 31.688 31.700 0.104 0.000 0.788 747 H N -3.502 115.653 119.070 0.140 0.000 2.529 747 H HA 0.035 4.591 4.556 0.000 0.000 0.277 747 H C 0.793 176.212 175.328 0.152 0.000 0.999 747 H CA 0.202 56.338 56.048 0.146 0.000 1.256 747 H CB -1.486 28.379 29.762 0.171 0.000 1.402 747 H HN 0.186 nan 8.280 nan 0.000 0.566 748 H N 1.593 120.505 119.070 -0.262 0.000 2.683 748 H HA 0.116 4.672 4.556 -0.000 0.000 0.339 748 H C -1.484 173.778 175.328 -0.109 0.000 1.081 748 H CA -1.961 53.998 56.048 -0.148 0.000 1.432 748 H CB 1.106 30.728 29.762 -0.233 0.000 1.462 748 H HN 0.015 nan 8.280 nan 0.000 0.557 749 P HA -0.192 nan 4.420 nan 0.000 0.217 749 P C 0.647 177.894 177.300 -0.088 0.000 1.148 749 P CA 1.893 64.835 63.100 -0.264 0.000 0.834 749 P CB 0.084 31.506 31.700 -0.463 0.000 0.783 750 I N -7.542 113.100 120.570 0.121 0.000 4.050 750 I HA 0.517 4.687 4.170 0.000 0.000 0.327 750 I C 0.969 177.138 176.117 0.087 0.000 1.473 750 I CA 0.122 61.481 61.300 0.099 0.000 1.124 750 I CB -0.159 37.870 38.000 0.048 0.000 1.129 750 I HN 0.005 nan 8.210 nan 0.000 0.428 751 G N 1.940 110.814 108.800 0.124 0.000 2.166 751 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 751 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 751 G C 0.376 175.151 174.900 -0.208 0.000 0.986 751 G CA 0.258 45.332 45.100 -0.044 0.000 0.683 751 G HN 0.963 nan 8.290 nan 0.000 0.527 752 A N -0.385 122.173 122.820 -0.437 0.000 2.309 752 A HA 0.750 5.070 4.320 0.000 0.000 0.298 752 A C 0.424 177.650 177.584 -0.598 0.000 1.165 752 A CA -0.041 51.716 52.037 -0.468 0.000 0.821 752 A CB 0.753 19.539 19.000 -0.358 0.000 1.102 752 A HN 0.396 nan 8.150 nan 0.000 0.500 753 K N 1.140 121.352 120.400 -0.313 0.000 2.281 753 K HA 0.563 4.883 4.320 0.000 0.000 0.242 753 K C 0.517 177.030 176.600 -0.145 0.000 0.971 753 K CA -0.527 55.633 56.287 -0.211 0.000 0.834 753 K CB 1.870 34.294 32.500 -0.127 0.000 1.181 753 K HN 0.809 nan 8.250 nan 0.000 0.435 754 G N -0.264 108.484 108.800 -0.086 0.000 2.636 754 G HA2 0.242 4.202 3.960 0.000 0.000 0.246 754 G HA3 0.242 4.202 3.960 0.000 0.000 0.246 754 G C 0.201 175.076 174.900 -0.041 0.000 1.216 754 G CA -0.281 44.790 45.100 -0.048 0.000 0.854 754 G HN 0.372 nan 8.290 nan 0.000 0.572 755 V N 0.001 119.903 119.914 -0.020 0.000 3.289 755 V HA 0.272 4.392 4.120 0.000 0.000 0.262 755 V C 2.308 178.417 176.094 0.025 0.000 1.707 755 V CA 1.451 63.748 62.300 -0.006 0.000 1.024 755 V CB -0.329 31.472 31.823 -0.037 0.000 0.871 755 V HN 0.947 nan 8.190 nan 0.000 0.397 756 A N 0.209 123.043 122.820 0.022 0.000 1.940 756 A HA -0.211 4.109 4.320 0.000 0.000 0.219 756 A C 1.739 179.360 177.584 0.062 0.000 1.176 756 A CA 2.298 54.358 52.037 0.039 0.000 0.631 756 A CB -0.311 18.712 19.000 0.038 0.000 0.814 756 A HN 0.710 nan 8.150 nan 0.000 0.446 757 E N -0.578 119.655 120.200 0.056 0.000 2.447 757 E HA 0.035 4.385 4.350 0.000 0.000 0.195 757 E C 1.911 178.570 176.600 0.098 0.000 1.028 757 E CA 0.412 56.850 56.400 0.063 0.000 0.876 757 E CB 0.097 29.804 29.700 0.012 0.000 0.885 757 E HN 0.538 nan 8.360 nan 0.000 0.500 758 S N 1.734 117.512 115.700 0.130 0.000 2.359 758 S HA -0.103 4.367 4.470 0.000 0.000 0.224 758 S C -0.679 174.050 174.600 0.215 0.000 1.035 758 S CA 1.307 59.645 58.200 0.230 0.000 1.018 758 S CB -0.894 62.500 63.200 0.324 0.000 0.876 758 S HN 0.308 nan 8.310 nan 0.000 0.448 759 P HA -0.158 nan 4.420 nan 0.000 0.218 759 P C 1.043 178.395 177.300 0.086 0.000 1.148 759 P CA 1.481 64.705 63.100 0.207 0.000 0.822 759 P CB -0.078 31.625 31.700 0.005 0.000 0.784 760 H N 0.179 119.233 119.070 -0.025 0.000 2.284 760 H HA -0.052 4.504 4.556 0.000 0.000 0.304 760 H C 1.913 177.191 175.328 -0.085 0.000 1.069 760 H CA 1.639 57.642 56.048 -0.074 0.000 1.327 760 H CB -0.656 29.050 29.762 -0.093 0.000 1.387 760 H HN -0.264 nan 8.280 nan 0.000 0.498 761 V N 0.179 120.102 119.914 0.015 0.000 2.282 761 V HA -0.257 3.863 4.120 0.000 0.000 0.249 761 V C 2.627 178.517 176.094 -0.339 0.000 1.057 761 V CA 2.044 64.278 62.300 -0.109 0.000 1.032 761 V CB -1.133 30.616 31.823 -0.123 0.000 0.645 761 V HN 0.757 nan 8.190 nan 0.000 0.447 762 G N -0.350 108.046 108.800 -0.673 0.000 2.408 762 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 762 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 762 G C 1.847 176.686 174.900 -0.102 0.000 1.156 762 G CA 1.076 45.607 45.100 -0.949 0.000 0.793 762 G HN 0.632 nan 8.290 nan 0.000 0.535 763 S N 0.840 116.637 115.700 0.161 0.000 2.382 763 S HA -0.058 4.412 4.470 0.000 0.000 0.228 763 S C 2.318 177.004 174.600 0.143 0.000 1.027 763 S CA 0.984 59.294 58.200 0.184 0.000 0.991 763 S CB -0.419 62.769 63.200 -0.019 0.000 0.823 763 S HN 0.334 nan 8.310 nan 0.000 0.469 764 I N 3.008 123.650 120.570 0.121 0.000 2.118 764 I HA -0.120 4.050 4.170 0.000 0.000 0.241 764 I C -0.397 175.916 176.117 0.325 0.000 1.070 764 I CA 1.586 63.021 61.300 0.225 0.000 1.327 764 I CB -1.480 36.549 38.000 0.049 0.000 1.034 764 I HN 0.325 nan 8.210 nan 0.000 0.405 765 P HA -0.072 nan 4.420 nan 0.000 0.229 765 P C 1.435 178.765 177.300 0.050 0.000 1.160 765 P CA 1.338 64.483 63.100 0.074 0.000 0.777 765 P CB -0.165 31.498 31.700 -0.061 0.000 0.814 766 T N -0.465 114.129 114.554 0.068 0.000 2.821 766 T HA -0.059 4.291 4.350 0.000 0.000 0.267 766 T C 1.452 176.169 174.700 0.027 0.000 1.046 766 T CA 1.198 63.303 62.100 0.008 0.000 1.139 766 T CB -0.741 68.121 68.868 -0.009 0.000 0.871 766 T HN -0.031 nan 8.240 nan 0.000 0.454 767 F N 1.872 121.997 119.950 0.291 0.000 2.146 767 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 767 F C 2.845 178.749 175.800 0.174 0.000 1.096 767 F CA 0.878 59.044 58.000 0.276 0.000 1.275 767 F CB -1.396 37.780 39.000 0.294 0.000 1.008 767 F HN 0.075 nan 8.300 nan 0.000 0.480 768 T N -0.149 114.637 114.554 0.386 0.000 2.788 768 T HA -0.144 4.206 4.350 0.000 0.000 0.268 768 T C 2.284 177.014 174.700 0.051 0.000 1.044 768 T CA 1.189 63.441 62.100 0.253 0.000 1.139 768 T CB -0.624 68.457 68.868 0.353 0.000 0.867 768 T HN 0.274 nan 8.240 nan 0.000 0.454 769 A N 1.395 124.247 122.820 0.053 0.000 1.933 769 A HA 0.141 4.461 4.320 0.000 0.000 0.218 769 A C 2.604 180.214 177.584 0.043 0.000 1.175 769 A CA 1.794 53.846 52.037 0.024 0.000 0.628 769 A CB -0.970 18.040 19.000 0.015 0.000 0.814 769 A HN 0.511 nan 8.150 nan 0.000 0.444 770 A N -0.752 122.111 122.820 0.073 0.000 1.929 770 A HA 0.101 4.421 4.320 0.000 0.000 0.216 770 A C 2.199 179.828 177.584 0.074 0.000 1.176 770 A CA 1.578 53.668 52.037 0.088 0.000 0.628 770 A CB -0.710 18.378 19.000 0.147 0.000 0.816 770 A HN 0.351 nan 8.150 nan 0.000 0.444 771 V N -0.468 119.454 119.914 0.013 0.000 2.323 771 V HA -0.184 3.936 4.120 0.000 0.000 0.244 771 V C 2.553 178.684 176.094 0.061 0.000 1.041 771 V CA 1.848 64.125 62.300 -0.038 0.000 1.025 771 V CB -0.696 30.865 31.823 -0.437 0.000 0.656 771 V HN 0.346 nan 8.190 nan 0.000 0.451 772 V N 0.534 120.429 119.914 -0.031 0.000 2.343 772 V HA -0.297 3.823 4.120 0.000 0.000 0.247 772 V C 2.292 178.457 176.094 0.119 0.000 1.051 772 V CA 2.431 64.738 62.300 0.012 0.000 1.036 772 V CB -0.721 31.086 31.823 -0.027 0.000 0.654 772 V HN 0.641 nan 8.190 nan 0.000 0.451 773 D N 0.151 120.603 120.400 0.088 0.000 2.221 773 D HA -0.160 4.480 4.640 0.000 0.000 0.204 773 D C 1.995 178.357 176.300 0.103 0.000 0.982 773 D CA 1.265 55.316 54.000 0.084 0.000 0.857 773 D CB -0.073 40.760 40.800 0.054 0.000 0.934 773 D HN 0.425 nan 8.370 nan 0.000 0.475 774 A N -1.037 121.862 122.820 0.132 0.000 2.066 774 A HA -0.007 4.313 4.320 0.000 0.000 0.218 774 A C 1.443 179.080 177.584 0.088 0.000 1.157 774 A CA 0.654 52.727 52.037 0.060 0.000 0.670 774 A CB -0.507 18.505 19.000 0.019 0.000 0.804 774 A HN 0.325 nan 8.150 nan 0.000 0.453 775 F N -1.125 118.864 119.950 0.065 0.000 2.721 775 F HA 0.343 4.870 4.527 -0.000 0.000 0.301 775 F C 2.329 178.126 175.800 -0.005 0.000 1.096 775 F CA 0.019 58.022 58.000 0.005 0.000 1.308 775 F CB -0.075 38.853 39.000 -0.120 0.000 1.086 775 F HN 0.212 nan 8.300 nan 0.000 0.587 776 A N 0.772 123.744 122.820 0.253 0.000 1.927 776 A HA -0.313 4.007 4.320 0.000 0.000 0.220 776 A C 1.893 179.562 177.584 0.141 0.000 1.185 776 A CA 2.457 54.584 52.037 0.150 0.000 0.639 776 A CB -1.556 17.513 19.000 0.114 0.000 0.820 776 A HN 0.697 nan 8.150 nan 0.000 0.451 777 H N -1.314 117.752 119.070 -0.008 0.000 2.518 777 H HA 0.097 4.653 4.556 0.000 0.000 0.289 777 H C 1.134 176.453 175.328 -0.013 0.000 1.051 777 H CA 1.044 57.082 56.048 -0.016 0.000 1.280 777 H CB -0.490 29.255 29.762 -0.028 0.000 1.380 777 H HN 0.421 nan 8.280 nan 0.000 0.566 778 V N -2.498 117.223 119.914 -0.323 0.000 3.249 778 V HA 0.567 4.687 4.120 0.000 0.000 0.338 778 V C 1.465 177.479 176.094 -0.132 0.000 1.363 778 V CA 0.062 62.214 62.300 -0.246 0.000 1.205 778 V CB -0.066 31.578 31.823 -0.298 0.000 1.164 778 V HN 0.720 nan 8.190 nan 0.000 0.458 779 G N -0.062 108.689 108.800 -0.081 0.000 2.176 779 G HA2 -0.226 3.734 3.960 0.000 0.000 0.253 779 G HA3 -0.226 3.734 3.960 0.000 0.000 0.253 779 G C 0.120 174.975 174.900 -0.075 0.000 0.979 779 G CA -0.025 45.043 45.100 -0.052 0.000 0.641 779 G HN 0.793 nan 8.290 nan 0.000 0.530 780 V N 1.941 121.771 119.914 -0.139 0.000 2.585 780 V HA 0.407 4.527 4.120 0.000 0.000 0.296 780 V C 1.804 177.874 176.094 -0.040 0.000 1.035 780 V CA 1.368 63.572 62.300 -0.160 0.000 1.084 780 V CB 1.139 32.809 31.823 -0.255 0.000 0.953 780 V HN 0.741 nan 8.190 nan 0.000 0.483 781 T N 0.693 115.246 114.554 -0.001 0.000 3.000 781 T HA 0.187 4.537 4.350 0.000 0.000 0.248 781 T C 0.339 175.112 174.700 0.123 0.000 1.034 781 T CA 0.367 62.501 62.100 0.056 0.000 1.060 781 T CB 0.057 68.968 68.868 0.071 0.000 0.983 781 T HN 0.747 nan 8.240 nan 0.000 0.482 782 H N -0.726 118.336 119.070 -0.013 0.000 3.068 782 H HA 0.662 5.218 4.556 -0.000 0.000 0.342 782 H C -2.281 173.044 175.328 -0.004 0.000 1.284 782 H CA -0.957 55.094 56.048 0.006 0.000 1.181 782 H CB 1.316 31.107 29.762 0.049 0.000 1.898 782 H HN 0.192 nan 8.280 nan 0.000 0.540 783 L N 3.365 124.100 121.223 -0.813 0.000 2.470 783 L HA 0.337 4.677 4.340 0.000 0.000 0.268 783 L C -0.832 175.724 176.870 -0.524 0.000 0.964 783 L CA -1.033 53.524 54.840 -0.472 0.000 0.839 783 L CB 2.096 43.959 42.059 -0.326 0.000 1.276 783 L HN 0.636 nan 8.230 nan 0.000 0.403 784 D N 3.082 123.381 120.400 -0.168 0.000 2.372 784 D HA 0.345 4.985 4.640 0.000 0.000 0.243 784 D C 0.142 176.381 176.300 -0.101 0.000 1.121 784 D CA 0.070 54.088 54.000 0.029 0.000 0.898 784 D CB 1.317 42.237 40.800 0.200 0.000 1.202 784 D HN 0.323 nan 8.370 nan 0.000 0.428 785 M N 1.847 121.311 119.600 -0.226 0.000 2.202 785 M HA 0.235 4.715 4.480 0.000 0.000 0.316 785 M C -2.075 174.081 176.300 -0.241 0.000 1.138 785 M CA -1.316 53.691 55.300 -0.489 0.000 1.151 785 M CB 0.371 32.681 32.600 -0.484 0.000 1.422 785 M HN 0.045 nan 8.290 nan 0.000 0.471 786 P HA 0.169 nan 4.420 nan 0.000 0.281 786 P C -1.267 175.817 177.300 -0.360 0.000 1.249 786 P CA -0.255 62.626 63.100 -0.365 0.000 0.810 786 P CB 0.265 31.815 31.700 -0.251 0.000 1.008 787 H N -0.961 118.018 119.070 -0.151 0.000 2.638 787 H HA 0.186 4.742 4.556 -0.000 0.000 0.232 787 H C 0.623 175.867 175.328 -0.140 0.000 1.756 787 H CA -0.411 55.568 56.048 -0.116 0.000 1.234 787 H CB -0.742 28.974 29.762 -0.077 0.000 1.616 787 H HN 0.359 nan 8.280 nan 0.000 0.510 788 T N -2.100 112.414 114.554 -0.068 0.000 2.813 788 T HA -0.007 4.343 4.350 0.000 0.000 0.297 788 T C 1.869 176.590 174.700 0.035 0.000 1.036 788 T CA -0.223 61.828 62.100 -0.081 0.000 1.044 788 T CB 1.450 70.285 68.868 -0.056 0.000 0.993 788 T HN 0.470 nan 8.240 nan 0.000 0.535 789 S N 0.562 116.292 115.700 0.051 0.000 2.399 789 S HA -0.219 4.251 4.470 0.000 0.000 0.231 789 S C 1.790 176.516 174.600 0.210 0.000 1.022 789 S CA 0.956 59.228 58.200 0.120 0.000 0.983 789 S CB -1.148 62.102 63.200 0.083 0.000 0.803 789 S HN 0.794 nan 8.310 nan 0.000 0.480 790 Y N 2.869 123.206 120.300 0.062 0.000 2.145 790 Y HA 0.023 4.573 4.550 0.000 0.000 0.286 790 Y C 2.407 178.420 175.900 0.188 0.000 1.145 790 Y CA 1.492 59.652 58.100 0.099 0.000 1.148 790 Y CB -0.561 37.920 38.460 0.035 0.000 0.981 790 Y HN 0.156 nan 8.280 nan 0.000 0.507 791 R N -0.775 119.654 120.500 -0.119 0.000 2.090 791 R HA -0.053 4.287 4.340 0.000 0.000 0.228 791 R C 2.211 178.487 176.300 -0.039 0.000 1.110 791 R CA 1.326 57.302 56.100 -0.207 0.000 0.973 791 R CB -0.407 29.818 30.300 -0.125 0.000 0.869 791 R HN 0.261 nan 8.270 nan 0.000 0.440 792 V N -0.384 119.580 119.914 0.083 0.000 2.453 792 V HA -0.208 3.912 4.120 0.000 0.000 0.247 792 V C 1.769 178.002 176.094 0.231 0.000 1.048 792 V CA 1.385 63.778 62.300 0.155 0.000 1.049 792 V CB -0.425 31.526 31.823 0.214 0.000 0.672 792 V HN 0.478 nan 8.190 nan 0.000 0.457 793 W N 1.346 122.685 121.300 0.064 0.000 2.388 793 W HA -0.166 4.494 4.660 0.000 0.000 0.294 793 W C 2.378 178.921 176.519 0.039 0.000 1.212 793 W CA 1.715 59.105 57.345 0.076 0.000 1.271 793 W CB -0.039 29.468 29.460 0.079 0.000 1.126 793 W HN 0.020 nan 8.180 nan 0.000 0.535 794 K N 0.278 120.720 120.400 0.070 0.000 2.063 794 K HA -0.146 4.174 4.320 0.000 0.000 0.208 794 K C 2.224 178.683 176.600 -0.235 0.000 1.048 794 K CA 2.160 58.354 56.287 -0.155 0.000 0.928 794 K CB -0.715 31.694 32.500 -0.151 0.000 0.713 794 K HN 0.075 nan 8.250 nan 0.000 0.442 795 S N 0.197 115.820 115.700 -0.127 0.000 2.428 795 S HA -0.034 4.436 4.470 0.000 0.000 0.230 795 S C 1.527 176.188 174.600 0.100 0.000 1.014 795 S CA 0.468 58.618 58.200 -0.082 0.000 0.957 795 S CB -0.142 62.929 63.200 -0.214 0.000 0.784 795 S HN 0.095 nan 8.310 nan 0.000 0.499 796 L N 1.984 123.269 121.223 0.103 0.000 2.056 796 L HA 0.057 4.397 4.340 0.000 0.000 0.207 796 L C 2.202 178.985 176.870 -0.144 0.000 1.078 796 L CA 1.728 56.631 54.840 0.105 0.000 0.749 796 L CB -0.512 41.549 42.059 0.003 0.000 0.901 796 L HN 0.151 nan 8.230 nan 0.000 0.433 797 K N -0.801 119.339 120.400 -0.434 0.000 2.103 797 K HA -0.200 4.120 4.320 0.000 0.000 0.204 797 K C 2.065 178.488 176.600 -0.295 0.000 1.052 797 K CA 1.228 57.241 56.287 -0.457 0.000 0.945 797 K CB 0.031 32.063 32.500 -0.780 0.000 0.722 797 K HN 0.375 nan 8.250 nan 0.000 0.443 798 E N -0.183 119.828 120.200 -0.314 0.000 2.110 798 E HA -0.195 4.155 4.350 0.000 0.000 0.193 798 E C 0.479 176.810 176.600 -0.448 0.000 0.988 798 E CA 1.295 57.462 56.400 -0.388 0.000 0.804 798 E CB 0.068 29.468 29.700 -0.500 0.000 0.745 798 E HN 0.485 nan 8.360 nan 0.000 0.458 799 H N -0.202 118.845 119.070 -0.038 0.000 2.507 799 H HA 0.257 4.813 4.556 0.000 0.000 0.294 799 H C -0.583 174.724 175.328 -0.036 0.000 1.064 799 H CA 0.250 56.292 56.048 -0.010 0.000 1.138 799 H CB -0.022 29.783 29.762 0.071 0.000 1.515 799 H HN 0.259 nan 8.280 nan 0.000 0.547 800 N N 0.342 119.031 118.700 -0.017 0.000 2.721 800 N HA -0.206 4.534 4.740 0.000 0.000 0.249 800 N C -0.041 175.454 175.510 -0.025 0.000 1.072 800 N CA 0.475 53.505 53.050 -0.034 0.000 0.710 800 N CB -1.160 37.312 38.487 -0.024 0.000 0.993 800 N HN 0.468 nan 8.380 nan 0.000 0.547 801 L N -1.339 119.870 121.223 -0.024 0.000 2.693 801 L HA 0.384 4.724 4.340 0.000 0.000 0.235 801 L C 0.979 177.824 176.870 -0.041 0.000 1.127 801 L CA -0.251 54.564 54.840 -0.042 0.000 0.914 801 L CB 0.245 42.251 42.059 -0.088 0.000 1.193 801 L HN 0.356 nan 8.230 nan 0.000 0.502 802 A N 1.228 124.013 122.820 -0.058 0.000 2.488 802 A HA 0.409 4.729 4.320 0.000 0.000 0.249 802 A C 0.516 178.121 177.584 0.034 0.000 1.083 802 A CA -0.140 51.880 52.037 -0.028 0.000 0.768 802 A CB 0.264 19.186 19.000 -0.131 0.000 1.017 802 A HN 0.155 nan 8.150 nan 0.000 0.496 803 L N 0.000 121.270 121.223 0.079 0.000 2.949 803 L HA 0.000 4.340 4.340 0.000 0.000 0.249 803 L CA 0.000 54.882 54.840 0.070 0.000 0.813 803 L CB 0.000 42.106 42.059 0.079 0.000 0.961 803 L HN 0.000 nan 8.230 nan 0.000 0.502