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 1r3y_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSDILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.807 175.800 0.011 0.000 0.967 11 F CA 0.000 58.006 58.000 0.010 0.000 1.383 11 F CB 0.000 39.007 39.000 0.012 0.000 1.145 12 P HA 0.102 nan 4.420 nan 0.000 0.269 12 P C -0.816 176.550 177.300 0.111 0.000 1.209 12 P CA -0.276 62.903 63.100 0.132 0.000 0.776 12 P CB 0.615 32.378 31.700 0.104 0.000 0.876 13 E N 1.454 121.700 120.200 0.077 0.000 2.414 13 E HA 0.046 4.396 4.350 -0.000 0.000 0.263 13 E C -0.493 176.139 176.600 0.054 0.000 1.000 13 E CA -0.638 55.801 56.400 0.064 0.000 0.914 13 E CB 0.313 30.042 29.700 0.047 0.000 0.948 13 E HN 0.263 nan 8.360 nan 0.000 0.444 14 L N 5.332 126.586 121.223 0.052 0.000 2.462 14 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 14 L C 0.598 177.494 176.870 0.045 0.000 1.166 14 L CA 0.856 55.723 54.840 0.045 0.000 0.880 14 L CB 0.585 42.672 42.059 0.048 0.000 1.142 14 L HN 0.628 nan 8.230 nan 0.000 0.473 15 K N 2.615 123.041 120.400 0.043 0.000 2.168 15 K HA 0.085 4.404 4.320 -0.000 0.000 0.201 15 K C 0.205 176.837 176.600 0.054 0.000 1.049 15 K CA 0.500 56.813 56.287 0.044 0.000 0.974 15 K CB 0.136 32.659 32.500 0.039 0.000 0.792 15 K HN 0.562 nan 8.250 nan 0.000 0.463 16 N N 1.797 120.534 118.700 0.062 0.000 2.518 16 N HA -0.003 4.737 4.740 -0.000 0.000 0.254 16 N C -1.153 174.409 175.510 0.087 0.000 0.979 16 N CA -0.436 52.664 53.050 0.084 0.000 0.930 16 N CB 1.080 39.629 38.487 0.103 0.000 1.152 16 N HN 0.045 nan 8.380 nan 0.000 0.505 17 D N 1.530 121.977 120.400 0.079 0.000 2.424 17 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 17 D C 0.466 176.809 176.300 0.071 0.000 1.150 17 D CA -0.089 53.962 54.000 0.086 0.000 0.831 17 D CB -0.091 40.754 40.800 0.076 0.000 0.981 17 D HN 0.348 nan 8.370 nan 0.000 0.500 18 T N 0.240 114.820 114.554 0.042 0.000 2.720 18 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 18 T C 1.293 175.972 174.700 -0.035 0.000 1.037 18 T CA 1.110 63.169 62.100 -0.068 0.000 1.144 18 T CB -0.536 68.189 68.868 -0.239 0.000 0.864 18 T HN 0.274 nan 8.240 nan 0.000 0.444 19 F N 1.809 121.713 119.950 -0.077 0.000 2.095 19 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 19 F C 1.906 177.664 175.800 -0.070 0.000 1.104 19 F CA 1.267 59.223 58.000 -0.073 0.000 1.232 19 F CB -0.493 38.462 39.000 -0.074 0.000 0.987 19 F HN 0.064 nan 8.300 nan 0.000 0.475 20 L N -0.258 120.919 121.223 -0.076 0.000 2.056 20 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 20 L C 2.653 179.508 176.870 -0.024 0.000 1.078 20 L CA 1.421 56.186 54.840 -0.123 0.000 0.749 20 L CB -0.708 41.426 42.059 0.124 0.000 0.901 20 L HN 0.046 nan 8.230 nan 0.000 0.433 21 R N 0.125 120.644 120.500 0.032 0.000 2.083 21 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 21 R C 2.488 178.788 176.300 -0.000 0.000 1.137 21 R CA 1.524 57.662 56.100 0.064 0.000 0.951 21 R CB -0.611 29.703 30.300 0.022 0.000 0.851 21 R HN 0.362 nan 8.270 nan 0.000 0.434 22 A N 1.076 123.830 122.820 -0.109 0.000 1.908 22 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 22 A C 2.363 179.832 177.584 -0.191 0.000 1.181 22 A CA 1.863 53.817 52.037 -0.139 0.000 0.627 22 A CB -0.836 18.052 19.000 -0.186 0.000 0.818 22 A HN 0.434 nan 8.150 nan 0.000 0.445 23 A N -1.804 120.785 122.820 -0.386 0.000 1.972 23 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 23 A C 1.881 179.273 177.584 -0.320 0.000 1.169 23 A CA 1.219 52.971 52.037 -0.476 0.000 0.635 23 A CB -0.811 17.703 19.000 -0.810 0.000 0.810 23 A HN 0.777 nan 8.150 nan 0.000 0.446 24 W N -1.436 119.783 121.300 -0.134 0.000 3.256 24 W HA 0.360 5.020 4.660 -0.000 0.000 0.269 24 W C 1.544 178.032 176.519 -0.051 0.000 1.310 24 W CA 0.553 57.852 57.345 -0.077 0.000 1.673 24 W CB 0.330 29.749 29.460 -0.068 0.000 1.115 24 W HN 0.559 nan 8.180 nan 0.000 0.686 25 G N 0.645 109.520 108.800 0.126 0.000 2.134 25 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.209 25 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.209 25 G C -0.132 174.817 174.900 0.081 0.000 0.993 25 G CA -0.485 44.670 45.100 0.091 0.000 0.669 25 G HN 0.298 nan 8.290 nan 0.000 0.519 26 E N -0.005 120.244 120.200 0.081 0.000 2.283 26 E HA 0.511 4.861 4.350 -0.000 0.000 0.267 26 E C 0.269 176.903 176.600 0.056 0.000 1.045 26 E CA -0.667 55.769 56.400 0.059 0.000 0.884 26 E CB 0.857 30.589 29.700 0.053 0.000 1.106 26 E HN 0.281 nan 8.360 nan 0.000 0.408 27 E N 1.053 121.289 120.200 0.061 0.000 2.373 27 E HA 0.090 4.440 4.350 -0.000 0.000 0.267 27 E C -0.961 175.658 176.600 0.031 0.000 1.032 27 E CA 0.019 56.467 56.400 0.080 0.000 0.889 27 E CB 0.606 30.362 29.700 0.093 0.000 0.984 27 E HN 0.486 nan 8.360 nan 0.000 0.425 28 T N 0.817 115.375 114.554 0.007 0.000 2.887 28 T HA 0.330 4.680 4.350 -0.000 0.000 0.292 28 T C 0.120 174.806 174.700 -0.022 0.000 1.087 28 T CA -0.882 61.187 62.100 -0.052 0.000 1.009 28 T CB 1.179 69.946 68.868 -0.168 0.000 1.203 28 T HN 0.291 nan 8.240 nan 0.000 0.518 29 D N -0.239 120.160 120.400 -0.003 0.000 2.312 29 D HA 0.151 4.791 4.640 -0.000 0.000 0.211 29 D C 0.319 176.742 176.300 0.204 0.000 0.964 29 D CA 1.395 55.462 54.000 0.111 0.000 0.877 29 D CB -0.121 40.794 40.800 0.192 0.000 0.924 29 D HN 0.739 nan 8.370 nan 0.000 0.515 30 Y N -3.499 116.808 120.300 0.013 0.000 2.713 30 Y HA 0.436 4.986 4.550 -0.000 0.000 0.335 30 Y C -0.843 175.081 175.900 0.039 0.000 1.222 30 Y CA -1.329 56.784 58.100 0.021 0.000 1.061 30 Y CB 0.653 39.107 38.460 -0.010 0.000 1.314 30 Y HN -0.446 nan 8.280 nan 0.000 0.453 31 T N 4.856 119.501 114.554 0.152 0.000 2.743 31 T HA 0.399 4.749 4.350 -0.000 0.000 0.293 31 T C -2.657 172.085 174.700 0.070 0.000 0.945 31 T CA -1.237 60.875 62.100 0.019 0.000 1.030 31 T CB 0.825 69.740 68.868 0.079 0.000 0.912 31 T HN 0.395 nan 8.240 nan 0.000 0.483 32 P HA 0.416 nan 4.420 nan 0.000 0.277 32 P C -0.956 176.404 177.300 0.100 0.000 1.240 32 P CA -0.495 62.671 63.100 0.110 0.000 0.798 32 P CB 1.135 32.886 31.700 0.086 0.000 0.979 33 V N 4.144 124.163 119.914 0.175 0.000 2.760 33 V HA 0.778 4.898 4.120 -0.000 0.000 0.309 33 V C -1.474 174.749 176.094 0.216 0.000 1.077 33 V CA -0.534 61.793 62.300 0.044 0.000 0.910 33 V CB 1.636 33.318 31.823 -0.236 0.000 1.008 33 V HN 0.787 nan 8.190 nan 0.000 0.424 34 W N 4.375 125.656 121.300 -0.031 0.000 3.039 34 W HA 0.794 5.453 4.660 -0.000 0.000 0.354 34 W C -1.996 174.525 176.519 0.004 0.000 1.206 34 W CA -1.388 55.938 57.345 -0.032 0.000 1.134 34 W CB 1.135 30.528 29.460 -0.111 0.000 1.493 34 W HN 0.629 nan 8.180 nan 0.000 0.591 35 C N 2.278 121.532 119.300 -0.075 0.000 2.431 35 C HA 0.459 4.919 4.460 -0.000 0.000 0.321 35 C C 0.611 175.402 174.990 -0.331 0.000 1.202 35 C CA -0.558 58.267 59.018 -0.321 0.000 1.398 35 C CB 0.629 28.250 27.740 -0.197 0.000 2.047 35 C HN 0.599 nan 8.230 nan 0.000 0.465 36 M N 3.131 122.382 119.600 -0.581 0.000 2.251 36 M HA 0.092 4.572 4.480 -0.000 0.000 0.343 36 M C 0.999 177.220 176.300 -0.131 0.000 1.245 36 M CA 1.080 56.209 55.300 -0.286 0.000 1.061 36 M CB 0.221 32.661 32.600 -0.267 0.000 1.723 36 M HN 0.761 nan 8.290 nan 0.000 0.449 37 R N 0.604 121.099 120.500 -0.009 0.000 3.770 37 R HA -0.252 4.088 4.340 -0.000 0.000 0.305 37 R C 1.079 177.447 176.300 0.114 0.000 1.184 37 R CA 1.082 57.193 56.100 0.017 0.000 0.823 37 R CB -2.102 28.160 30.300 -0.063 0.000 1.285 37 R HN 0.894 nan 8.270 nan 0.000 0.499 38 Q N -0.205 119.702 119.800 0.179 0.000 2.226 38 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 38 Q C 0.774 177.017 176.000 0.405 0.000 0.975 38 Q CA 1.591 57.576 55.803 0.303 0.000 0.866 38 Q CB 0.202 29.121 28.738 0.302 0.000 0.915 38 Q HN 0.425 nan 8.270 nan 0.000 0.440 39 A N 1.039 124.048 122.820 0.316 0.000 2.506 39 A HA 0.637 4.957 4.320 -0.000 0.000 0.320 39 A C 0.027 177.684 177.584 0.121 0.000 1.424 39 A CA 0.176 52.397 52.037 0.307 0.000 1.044 39 A CB 0.268 19.527 19.000 0.431 0.000 1.140 39 A HN 0.433 nan 8.150 nan 0.000 0.538 40 G N 0.711 109.338 108.800 -0.290 0.000 2.600 40 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 40 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 40 G C 0.162 174.391 174.900 -1.119 0.000 1.408 40 G CA -0.807 43.792 45.100 -0.835 0.000 0.782 40 G HN 0.476 nan 8.290 nan 0.000 0.482 41 R N -0.921 119.115 120.500 -0.774 0.000 2.285 41 R HA -0.040 4.300 4.340 -0.000 0.000 0.213 41 R C 2.035 178.259 176.300 -0.127 0.000 1.068 41 R CA 1.621 57.519 56.100 -0.338 0.000 1.004 41 R CB -0.369 29.879 30.300 -0.087 0.000 0.873 41 R HN 0.676 nan 8.270 nan 0.000 0.467 42 Y N -0.556 119.670 120.300 -0.123 0.000 2.497 42 Y HA 0.059 4.609 4.550 -0.000 0.000 0.292 42 Y C 0.379 176.290 175.900 0.018 0.000 1.137 42 Y CA 0.041 58.122 58.100 -0.032 0.000 1.285 42 Y CB -0.142 38.296 38.460 -0.037 0.000 0.991 42 Y HN -0.142 nan 8.280 nan 0.000 0.556 43 L N 3.125 123.886 121.223 -0.770 0.000 2.265 43 L HA 0.226 4.566 4.340 -0.000 0.000 0.288 43 L C -1.463 175.325 176.870 -0.137 0.000 1.058 43 L CA -2.092 52.468 54.840 -0.467 0.000 0.809 43 L CB 1.207 42.983 42.059 -0.472 0.000 1.179 43 L HN -0.059 nan 8.230 nan 0.000 0.429 44 P HA -0.215 nan 4.420 nan 0.000 0.216 44 P C 1.209 178.505 177.300 -0.007 0.000 1.150 44 P CA 1.103 64.193 63.100 -0.017 0.000 0.843 44 P CB 0.104 31.794 31.700 -0.017 0.000 0.787 45 E N -0.633 119.551 120.200 -0.028 0.000 2.204 45 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 45 E C 1.988 178.572 176.600 -0.026 0.000 0.989 45 E CA 0.868 57.246 56.400 -0.036 0.000 0.824 45 E CB -1.366 28.301 29.700 -0.054 0.000 0.756 45 E HN 0.275 nan 8.360 nan 0.000 0.477 46 F N 2.418 122.281 119.950 -0.145 0.000 2.084 46 F HA -0.067 4.460 4.527 -0.000 0.000 0.296 46 F C 2.550 178.279 175.800 -0.118 0.000 1.111 46 F CA 1.581 59.491 58.000 -0.149 0.000 1.224 46 F CB -0.013 38.896 39.000 -0.151 0.000 0.991 46 F HN -0.176 nan 8.300 nan 0.000 0.471 47 R N 0.161 120.783 120.500 0.204 0.000 2.091 47 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 47 R C 2.258 178.528 176.300 -0.051 0.000 1.136 47 R CA 1.824 57.989 56.100 0.109 0.000 0.959 47 R CB -0.637 29.736 30.300 0.122 0.000 0.856 47 R HN 0.484 nan 8.270 nan 0.000 0.437 48 E N 0.368 120.531 120.200 -0.061 0.000 2.051 48 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 48 E C 1.863 178.380 176.600 -0.140 0.000 0.991 48 E CA 2.068 58.419 56.400 -0.083 0.000 0.799 48 E CB 0.024 29.685 29.700 -0.065 0.000 0.748 48 E HN 0.402 nan 8.360 nan 0.000 0.449 49 T N -1.373 113.057 114.554 -0.207 0.000 2.904 49 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 49 T C 1.940 176.450 174.700 -0.316 0.000 1.059 49 T CA 0.429 62.378 62.100 -0.252 0.000 1.137 49 T CB -0.160 68.534 68.868 -0.289 0.000 0.879 49 T HN 0.016 nan 8.240 nan 0.000 0.467 50 R N 1.186 121.430 120.500 -0.426 0.000 2.189 50 R HA 0.257 4.597 4.340 -0.000 0.000 0.223 50 R C 2.742 178.931 176.300 -0.186 0.000 1.092 50 R CA 1.054 56.921 56.100 -0.388 0.000 0.989 50 R CB -0.961 29.029 30.300 -0.515 0.000 0.876 50 R HN 0.601 nan 8.270 nan 0.000 0.457 51 A N 0.884 123.622 122.820 -0.136 0.000 2.070 51 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 51 A C 2.276 179.817 177.584 -0.072 0.000 1.159 51 A CA 1.489 53.481 52.037 -0.075 0.000 0.656 51 A CB -0.282 18.684 19.000 -0.055 0.000 0.800 51 A HN 0.315 nan 8.150 nan 0.000 0.453 52 A N -1.243 121.519 122.820 -0.096 0.000 1.969 52 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 52 A C 1.119 178.660 177.584 -0.071 0.000 1.169 52 A CA 1.386 53.374 52.037 -0.081 0.000 0.635 52 A CB -0.093 18.851 19.000 -0.094 0.000 0.810 52 A HN 0.640 nan 8.150 nan 0.000 0.445 53 Q N -0.515 119.235 119.800 -0.083 0.000 2.605 53 Q HA 0.402 4.742 4.340 -0.000 0.000 0.296 53 Q C -1.115 174.860 176.000 -0.043 0.000 1.056 53 Q CA -0.692 55.072 55.803 -0.065 0.000 0.778 53 Q CB 1.028 29.717 28.738 -0.083 0.000 1.497 53 Q HN 0.468 nan 8.270 nan 0.000 0.443 54 D N -0.123 120.269 120.400 -0.014 0.000 2.360 54 D HA -0.021 4.619 4.640 -0.000 0.000 0.242 54 D C 0.172 176.489 176.300 0.028 0.000 1.184 54 D CA -0.352 53.669 54.000 0.034 0.000 0.930 54 D CB 0.768 41.607 40.800 0.065 0.000 1.161 54 D HN 0.508 nan 8.370 nan 0.000 0.447 55 F N 0.461 120.361 119.950 -0.084 0.000 2.069 55 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 55 F C 1.912 177.579 175.800 -0.222 0.000 1.113 55 F CA 1.362 59.255 58.000 -0.179 0.000 1.214 55 F CB -0.374 38.424 39.000 -0.337 0.000 0.978 55 F HN 0.303 nan 8.300 nan 0.000 0.474 56 F N -0.311 119.693 119.950 0.090 0.000 2.365 56 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 56 F C 2.600 178.295 175.800 -0.175 0.000 1.090 56 F CA 1.197 59.166 58.000 -0.052 0.000 1.408 56 F CB -0.769 38.255 39.000 0.040 0.000 1.060 56 F HN -0.091 nan 8.300 nan 0.000 0.534 57 S N -0.725 114.965 115.700 -0.017 0.000 2.387 57 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 57 S C 2.133 176.648 174.600 -0.141 0.000 1.026 57 S CA 1.580 59.727 58.200 -0.088 0.000 0.972 57 S CB -0.392 62.774 63.200 -0.057 0.000 0.814 57 S HN 0.334 nan 8.310 nan 0.000 0.477 58 T N 1.220 115.665 114.554 -0.181 0.000 2.720 58 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 58 T C 1.978 176.599 174.700 -0.131 0.000 1.037 58 T CA 1.375 63.356 62.100 -0.198 0.000 1.144 58 T CB -0.564 68.131 68.868 -0.289 0.000 0.864 58 T HN 0.451 nan 8.240 nan 0.000 0.444 59 C N 1.167 120.363 119.300 -0.173 0.000 2.419 59 C HA 0.019 4.479 4.460 -0.000 0.000 0.281 59 C C 2.551 177.542 174.990 0.001 0.000 1.336 59 C CA 0.419 59.420 59.018 -0.029 0.000 1.770 59 C CB -1.076 26.631 27.740 -0.055 0.000 1.929 59 C HN 0.485 nan 8.230 nan 0.000 0.509 60 R N 0.266 120.628 120.500 -0.230 0.000 2.310 60 R HA 0.044 4.384 4.340 -0.000 0.000 0.202 60 R C 0.697 176.924 176.300 -0.121 0.000 0.933 60 R CA 0.115 55.973 56.100 -0.403 0.000 1.054 60 R CB 0.062 30.011 30.300 -0.584 0.000 0.985 60 R HN 0.345 nan 8.270 nan 0.000 0.489 61 S N 0.965 116.634 115.700 -0.052 0.000 2.461 61 S HA 0.267 4.737 4.470 -0.000 0.000 0.322 61 S C -1.993 172.622 174.600 0.024 0.000 1.063 61 S CA -2.067 56.119 58.200 -0.024 0.000 1.120 61 S CB 1.332 64.498 63.200 -0.057 0.000 0.968 61 S HN -0.130 nan 8.310 nan 0.000 0.467 62 P HA -0.136 nan 4.420 nan 0.000 0.216 62 P C 1.342 178.668 177.300 0.043 0.000 1.153 62 P CA 1.093 64.236 63.100 0.072 0.000 0.858 62 P CB 0.197 31.943 31.700 0.077 0.000 0.789 63 E N -0.633 119.576 120.200 0.016 0.000 2.077 63 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 63 E C 2.078 178.660 176.600 -0.030 0.000 0.989 63 E CA 1.472 57.870 56.400 -0.004 0.000 0.800 63 E CB -0.833 28.859 29.700 -0.014 0.000 0.746 63 E HN 0.166 nan 8.360 nan 0.000 0.452 64 A N 0.828 123.616 122.820 -0.054 0.000 1.902 64 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 64 A C 2.613 180.126 177.584 -0.120 0.000 1.181 64 A CA 1.359 53.326 52.037 -0.117 0.000 0.623 64 A CB -0.835 18.074 19.000 -0.151 0.000 0.818 64 A HN 0.329 nan 8.150 nan 0.000 0.443 65 C N -1.789 117.504 119.300 -0.012 0.000 2.446 65 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 65 C C 2.956 177.999 174.990 0.089 0.000 1.275 65 C CA 0.609 59.691 59.018 0.106 0.000 1.727 65 C CB -1.664 26.206 27.740 0.218 0.000 2.010 65 C HN 0.787 nan 8.230 nan 0.000 0.486 66 C N 1.243 120.576 119.300 0.056 0.000 2.413 66 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 66 C C 2.792 177.792 174.990 0.017 0.000 1.236 66 C CA 2.102 61.148 59.018 0.047 0.000 1.735 66 C CB -1.324 26.439 27.740 0.037 0.000 2.031 66 C HN 0.674 nan 8.230 nan 0.000 0.474 67 E N 0.631 120.814 120.200 -0.027 0.000 2.051 67 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 67 E C 2.010 178.574 176.600 -0.061 0.000 0.991 67 E CA 1.724 58.092 56.400 -0.053 0.000 0.799 67 E CB -0.612 29.035 29.700 -0.089 0.000 0.748 67 E HN 0.721 nan 8.360 nan 0.000 0.449 68 L N -0.043 121.112 121.223 -0.114 0.000 2.046 68 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 68 L C 2.497 179.412 176.870 0.075 0.000 1.077 68 L CA 1.682 56.457 54.840 -0.109 0.000 0.747 68 L CB -0.754 41.039 42.059 -0.443 0.000 0.896 68 L HN 0.196 nan 8.230 nan 0.000 0.432 69 T N 0.345 114.971 114.554 0.120 0.000 2.746 69 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 69 T C 1.940 176.703 174.700 0.106 0.000 1.039 69 T CA 1.259 63.454 62.100 0.158 0.000 1.142 69 T CB -0.213 68.743 68.868 0.147 0.000 0.866 69 T HN 0.211 nan 8.240 nan 0.000 0.444 70 L N 0.573 121.832 121.223 0.061 0.000 2.217 70 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 70 L C 2.836 179.724 176.870 0.030 0.000 1.107 70 L CA 0.921 55.784 54.840 0.039 0.000 0.783 70 L CB -0.607 41.462 42.059 0.017 0.000 0.919 70 L HN 0.310 nan 8.230 nan 0.000 0.442 71 Q N 0.299 120.113 119.800 0.025 0.000 2.062 71 Q HA -0.219 4.120 4.340 -0.000 0.000 0.209 71 Q C -0.479 175.513 176.000 -0.014 0.000 0.996 71 Q CA 2.205 58.006 55.803 -0.004 0.000 0.859 71 Q CB -1.091 27.648 28.738 0.001 0.000 0.920 71 Q HN 0.435 nan 8.270 nan 0.000 0.415 72 P HA -0.165 nan 4.420 nan 0.000 0.218 72 P C 1.167 178.511 177.300 0.072 0.000 1.149 72 P CA 1.262 64.439 63.100 0.128 0.000 0.817 72 P CB -0.130 31.772 31.700 0.337 0.000 0.785 73 L N -0.776 120.495 121.223 0.080 0.000 2.201 73 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 73 L C 2.778 179.646 176.870 -0.003 0.000 1.105 73 L CA 1.225 56.106 54.840 0.070 0.000 0.775 73 L CB -0.699 41.397 42.059 0.061 0.000 0.913 73 L HN -0.050 nan 8.230 nan 0.000 0.440 74 R N -0.259 120.209 120.500 -0.054 0.000 2.148 74 R HA -0.068 4.272 4.340 -0.000 0.000 0.227 74 R C 2.271 178.472 176.300 -0.165 0.000 1.103 74 R CA 0.753 56.802 56.100 -0.085 0.000 0.983 74 R CB -0.083 30.170 30.300 -0.079 0.000 0.874 74 R HN 0.382 nan 8.270 nan 0.000 0.451 75 R N -0.564 119.732 120.500 -0.340 0.000 2.128 75 R HA 0.139 4.479 4.340 -0.000 0.000 0.211 75 R C 0.002 175.976 176.300 -0.542 0.000 1.067 75 R CA 0.683 56.403 56.100 -0.633 0.000 1.010 75 R CB 0.439 29.936 30.300 -1.339 0.000 0.922 75 R HN 0.038 nan 8.270 nan 0.000 0.457 76 F N 0.468 120.458 119.950 0.067 0.000 2.565 76 F HA 0.347 4.874 4.527 -0.000 0.000 0.313 76 F C -2.081 173.764 175.800 0.075 0.000 1.091 76 F CA -2.794 55.246 58.000 0.068 0.000 0.915 76 F CB 1.988 41.036 39.000 0.081 0.000 1.208 76 F HN -0.229 nan 8.300 nan 0.000 0.453 77 P HA 0.164 nan 4.420 nan 0.000 0.218 77 P C -0.522 176.944 177.300 0.276 0.000 1.793 77 P CA 0.192 63.426 63.100 0.223 0.000 0.941 77 P CB -0.175 31.643 31.700 0.196 0.000 1.919 78 L N 0.863 122.233 121.223 0.244 0.000 2.461 78 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 78 L C 1.553 178.541 176.870 0.198 0.000 1.197 78 L CA 0.261 55.233 54.840 0.219 0.000 0.836 78 L CB 0.342 42.537 42.059 0.226 0.000 1.105 78 L HN 0.038 nan 8.230 nan 0.000 0.477 79 D N 1.623 122.151 120.400 0.213 0.000 2.340 79 D HA 0.229 4.868 4.640 -0.000 0.000 0.220 79 D C 0.166 176.458 176.300 -0.013 0.000 1.039 79 D CA 0.383 54.491 54.000 0.180 0.000 0.866 79 D CB 0.710 41.684 40.800 0.291 0.000 0.913 79 D HN 0.549 nan 8.370 nan 0.000 0.523 80 A N 0.157 122.890 122.820 -0.144 0.000 2.594 80 A HA 0.693 5.013 4.320 -0.000 0.000 0.295 80 A C -1.376 176.037 177.584 -0.285 0.000 1.071 80 A CA -0.589 51.173 52.037 -0.459 0.000 0.685 80 A CB 1.679 19.898 19.000 -1.302 0.000 1.285 80 A HN 0.024 nan 8.150 nan 0.000 0.405 81 A N 0.742 123.391 122.820 -0.285 0.000 2.325 81 A HA 0.792 5.112 4.320 -0.000 0.000 0.333 81 A C -0.596 176.848 177.584 -0.233 0.000 1.155 81 A CA -0.419 51.529 52.037 -0.147 0.000 0.814 81 A CB 0.693 19.656 19.000 -0.062 0.000 1.206 81 A HN 1.560 nan 8.150 nan 0.000 0.482 82 I N 2.273 122.789 120.570 -0.091 0.000 2.433 82 I HA 0.479 4.649 4.170 -0.000 0.000 0.292 82 I C -0.604 175.600 176.117 0.145 0.000 1.001 82 I CA -1.145 60.130 61.300 -0.041 0.000 1.119 82 I CB 1.109 39.085 38.000 -0.040 0.000 1.289 82 I HN 0.695 nan 8.210 nan 0.000 0.438 83 I N 7.452 128.140 120.570 0.197 0.000 2.815 83 I HA 0.007 4.177 4.170 -0.000 0.000 0.291 83 I C -0.685 175.652 176.117 0.368 0.000 1.209 83 I CA 0.515 61.961 61.300 0.243 0.000 1.431 83 I CB 0.312 38.414 38.000 0.171 0.000 1.351 83 I HN 0.467 nan 8.210 nan 0.000 0.585 84 F N 7.864 127.947 119.950 0.222 0.000 2.471 84 F HA 0.451 4.978 4.527 -0.000 0.000 0.365 84 F C 0.443 176.383 175.800 0.233 0.000 1.095 84 F CA 0.821 58.964 58.000 0.238 0.000 1.174 84 F CB 0.208 39.303 39.000 0.158 0.000 1.105 84 F HN 0.589 nan 8.300 nan 0.000 0.535 85 S N 3.677 119.177 115.700 -0.333 0.000 2.930 85 S HA 0.415 4.884 4.470 -0.000 0.000 0.306 85 S C -2.131 172.463 174.600 -0.011 0.000 1.238 85 S CA -0.660 57.445 58.200 -0.159 0.000 1.000 85 S CB 1.009 64.178 63.200 -0.052 0.000 1.342 85 S HN 0.702 nan 8.310 nan 0.000 0.575 86 D N -0.469 120.048 120.400 0.194 0.000 2.661 86 D HA 0.443 5.083 4.640 -0.000 0.000 0.228 86 D C 1.205 177.709 176.300 0.340 0.000 1.210 86 D CA -0.176 54.021 54.000 0.328 0.000 0.826 86 D CB 1.099 42.114 40.800 0.360 0.000 1.542 86 D HN 0.534 nan 8.370 nan 0.000 0.447 87 I N 0.255 121.037 120.570 0.353 0.000 2.454 87 I HA -0.063 4.107 4.170 -0.000 0.000 0.254 87 I C 0.980 177.201 176.117 0.174 0.000 1.156 87 I CA 1.039 62.511 61.300 0.286 0.000 1.433 87 I CB -0.250 37.899 38.000 0.249 0.000 1.082 87 I HN 0.356 nan 8.210 nan 0.000 0.432 88 L N 1.582 122.906 121.223 0.168 0.000 2.610 88 L HA 0.006 4.346 4.340 -0.000 0.000 0.232 88 L C 2.522 179.471 176.870 0.131 0.000 1.149 88 L CA 0.277 55.208 54.840 0.152 0.000 0.872 88 L CB -0.260 41.880 42.059 0.135 0.000 0.992 88 L HN 0.374 nan 8.230 nan 0.000 0.447 89 V N -4.177 115.832 119.914 0.158 0.000 2.720 89 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 89 V C 2.106 178.141 176.094 -0.099 0.000 1.082 89 V CA 1.256 63.588 62.300 0.053 0.000 1.101 89 V CB -0.525 31.341 31.823 0.072 0.000 0.693 89 V HN 0.191 nan 8.190 nan 0.000 0.479 90 V N 0.909 120.759 119.914 -0.106 0.000 2.283 90 V HA -0.019 4.101 4.120 -0.000 0.000 0.243 90 V C 0.528 176.588 176.094 -0.057 0.000 1.039 90 V CA 2.426 64.634 62.300 -0.153 0.000 1.016 90 V CB -1.642 30.119 31.823 -0.103 0.000 0.650 90 V HN 0.501 nan 8.190 nan 0.000 0.449 91 P HA -0.209 nan 4.420 nan 0.000 0.218 91 P C 1.667 179.007 177.300 0.067 0.000 1.148 91 P CA 1.510 64.646 63.100 0.059 0.000 0.822 91 P CB -0.025 31.767 31.700 0.154 0.000 0.784 92 Q N -0.087 119.722 119.800 0.016 0.000 2.084 92 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 92 Q C 2.054 178.019 176.000 -0.058 0.000 0.978 92 Q CA 1.923 57.683 55.803 -0.072 0.000 0.844 92 Q CB -0.623 27.986 28.738 -0.214 0.000 0.898 92 Q HN 0.113 nan 8.270 nan 0.000 0.426 93 A N 0.305 123.084 122.820 -0.070 0.000 2.067 93 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 93 A C 1.861 179.414 177.584 -0.051 0.000 1.158 93 A CA 0.731 52.723 52.037 -0.074 0.000 0.661 93 A CB -0.387 18.526 19.000 -0.145 0.000 0.801 93 A HN 0.455 nan 8.150 nan 0.000 0.452 94 L N -1.601 119.598 121.223 -0.039 0.000 2.552 94 L HA 0.129 4.469 4.340 -0.000 0.000 0.227 94 L C 1.671 178.535 176.870 -0.009 0.000 1.146 94 L CA 0.727 55.554 54.840 -0.021 0.000 0.858 94 L CB 0.030 42.077 42.059 -0.021 0.000 0.969 94 L HN 0.593 nan 8.230 nan 0.000 0.451 95 G N -1.025 107.771 108.800 -0.008 0.000 2.192 95 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 95 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 95 G C 0.219 175.126 174.900 0.011 0.000 0.999 95 G CA -0.540 44.559 45.100 -0.003 0.000 0.659 95 G HN 0.113 nan 8.290 nan 0.000 0.503 96 M N 1.569 121.191 119.600 0.037 0.000 2.216 96 M HA 0.364 4.843 4.480 -0.000 0.000 0.356 96 M C 0.009 176.342 176.300 0.056 0.000 1.205 96 M CA -0.273 55.086 55.300 0.098 0.000 1.122 96 M CB 0.837 33.563 32.600 0.210 0.000 1.571 96 M HN 0.012 nan 8.290 nan 0.000 0.464 97 E N 2.742 122.962 120.200 0.034 0.000 2.289 97 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 97 E C -1.000 175.481 176.600 -0.199 0.000 1.032 97 E CA -0.179 56.176 56.400 -0.076 0.000 0.854 97 E CB 1.354 31.027 29.700 -0.044 0.000 1.046 97 E HN 0.350 nan 8.360 nan 0.000 0.409 98 V N 2.055 121.721 119.914 -0.413 0.000 2.709 98 V HA 0.446 4.566 4.120 -0.000 0.000 0.308 98 V C 0.185 176.038 176.094 -0.401 0.000 1.062 98 V CA -0.925 60.964 62.300 -0.686 0.000 0.901 98 V CB 1.972 33.146 31.823 -1.081 0.000 1.003 98 V HN 0.820 nan 8.190 nan 0.000 0.425 99 T N 1.266 115.696 114.554 -0.207 0.000 2.924 99 T HA 0.823 5.173 4.350 -0.000 0.000 0.291 99 T C -0.696 174.079 174.700 0.124 0.000 1.045 99 T CA -0.801 61.310 62.100 0.018 0.000 1.015 99 T CB 1.968 70.832 68.868 -0.008 0.000 1.103 99 T HN 0.434 nan 8.240 nan 0.000 0.496 100 M N 2.758 122.455 119.600 0.161 0.000 2.101 100 M HA 0.531 5.011 4.480 -0.000 0.000 0.340 100 M C -1.338 174.971 176.300 0.016 0.000 1.057 100 M CA -1.450 53.871 55.300 0.035 0.000 0.984 100 M CB 0.836 33.404 32.600 -0.053 0.000 1.560 100 M HN 0.593 nan 8.290 nan 0.000 0.435 101 V N 8.577 128.486 119.914 -0.007 0.000 2.406 101 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 101 V C -2.025 174.065 176.094 -0.006 0.000 1.043 101 V CA -1.610 60.690 62.300 0.001 0.000 0.915 101 V CB 0.950 32.775 31.823 0.004 0.000 0.988 101 V HN 0.711 nan 8.190 nan 0.000 0.466 102 P HA 0.081 nan 4.420 nan 0.000 0.256 102 P C 1.072 178.372 177.300 -0.000 0.000 1.173 102 P CA 1.529 64.632 63.100 0.004 0.000 0.768 102 P CB 0.226 31.931 31.700 0.009 0.000 0.758 103 G N 3.450 112.248 108.800 -0.003 0.000 2.220 103 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.269 103 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.269 103 G C 0.813 175.708 174.900 -0.009 0.000 0.977 103 G CA 0.741 45.838 45.100 -0.005 0.000 0.634 103 G HN 0.542 nan 8.290 nan 0.000 0.539 104 K N -0.304 120.090 120.400 -0.009 0.000 2.438 104 K HA 0.523 4.842 4.320 -0.000 0.000 0.206 104 K C 1.327 177.925 176.600 -0.004 0.000 1.081 104 K CA 0.682 56.967 56.287 -0.003 0.000 1.053 104 K CB 1.250 33.752 32.500 0.004 0.000 0.908 104 K HN 1.520 nan 8.250 nan 0.000 0.556 105 G N 2.324 111.107 108.800 -0.028 0.000 2.693 105 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 105 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 105 G C -2.754 172.124 174.900 -0.036 0.000 1.354 105 G CA -0.860 44.210 45.100 -0.051 0.000 0.873 105 G HN -0.014 nan 8.290 nan 0.000 0.562 106 P HA 0.485 nan 4.420 nan 0.000 0.275 106 P C -0.447 176.875 177.300 0.038 0.000 1.227 106 P CA 0.259 63.347 63.100 -0.020 0.000 0.781 106 P CB 1.717 33.390 31.700 -0.045 0.000 0.906 107 S N 1.692 117.370 115.700 -0.036 0.000 2.540 107 S HA 0.678 5.148 4.470 -0.000 0.000 0.275 107 S C -1.644 172.867 174.600 -0.148 0.000 1.123 107 S CA -0.561 57.648 58.200 0.015 0.000 0.907 107 S CB 0.333 63.548 63.200 0.026 0.000 1.081 107 S HN 0.126 nan 8.310 nan 0.000 0.476 108 F N 4.733 124.693 119.950 0.015 0.000 2.347 108 F HA 0.418 4.945 4.527 -0.000 0.000 0.366 108 F C -1.476 174.317 175.800 -0.012 0.000 1.107 108 F CA -1.942 56.051 58.000 -0.013 0.000 1.058 108 F CB 1.686 40.672 39.000 -0.024 0.000 1.236 108 F HN 0.416 nan 8.300 nan 0.000 0.456 109 P HA -0.106 nan 4.420 nan 0.000 0.223 109 P C -0.289 177.056 177.300 0.076 0.000 1.151 109 P CA 1.112 64.255 63.100 0.071 0.000 0.787 109 P CB 0.314 32.034 31.700 0.033 0.000 0.788 110 E N 0.529 120.789 120.200 0.099 0.000 2.916 110 E HA 0.252 4.602 4.350 -0.000 0.000 0.217 110 E C -2.405 174.229 176.600 0.057 0.000 1.100 110 E CA -2.067 54.373 56.400 0.067 0.000 0.891 110 E CB 0.381 30.111 29.700 0.050 0.000 1.311 110 E HN 0.289 nan 8.360 nan 0.000 0.421 111 P HA 0.049 nan 4.420 nan 0.000 0.272 111 P C -0.239 177.022 177.300 -0.065 0.000 1.240 111 P CA -0.366 62.696 63.100 -0.063 0.000 0.791 111 P CB 0.943 32.597 31.700 -0.075 0.000 0.978 112 L N 2.678 123.812 121.223 -0.147 0.000 2.433 112 L HA 0.169 4.509 4.340 -0.000 0.000 0.275 112 L C 1.703 178.598 176.870 0.043 0.000 1.128 112 L CA 0.019 54.813 54.840 -0.075 0.000 0.875 112 L CB 0.146 42.069 42.059 -0.227 0.000 1.171 112 L HN 0.331 nan 8.230 nan 0.000 0.463 113 R N 1.813 122.446 120.500 0.222 0.000 2.435 113 R HA 0.160 4.500 4.340 -0.000 0.000 0.221 113 R C 0.103 176.634 176.300 0.386 0.000 0.885 113 R CA 0.216 56.518 56.100 0.337 0.000 1.018 113 R CB 0.717 31.114 30.300 0.160 0.000 1.259 113 R HN 0.795 nan 8.270 nan 0.000 0.597 114 E N -0.500 119.870 120.200 0.284 0.000 2.392 114 E HA 0.250 4.600 4.350 -0.000 0.000 0.269 114 E C 0.036 176.684 176.600 0.079 0.000 0.924 114 E CA -0.669 55.774 56.400 0.072 0.000 0.784 114 E CB 1.570 31.277 29.700 0.011 0.000 1.292 114 E HN -0.136 nan 8.360 nan 0.000 0.447 115 E N 0.529 120.651 120.200 -0.130 0.000 2.160 115 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 115 E C 1.802 178.429 176.600 0.046 0.000 0.991 115 E CA 1.399 57.757 56.400 -0.070 0.000 0.810 115 E CB 0.127 29.740 29.700 -0.146 0.000 0.742 115 E HN 0.660 nan 8.360 nan 0.000 0.466 116 Q N 0.066 119.883 119.800 0.028 0.000 2.291 116 Q HA -0.156 4.184 4.340 -0.000 0.000 0.205 116 Q C 1.073 177.110 176.000 0.062 0.000 0.970 116 Q CA 1.266 57.092 55.803 0.037 0.000 0.876 116 Q CB 0.163 28.914 28.738 0.021 0.000 0.935 116 Q HN 0.295 nan 8.270 nan 0.000 0.455 117 D N 0.405 120.861 120.400 0.095 0.000 2.263 117 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 117 D C 1.643 177.994 176.300 0.084 0.000 0.971 117 D CA 0.665 54.721 54.000 0.092 0.000 0.867 117 D CB -0.002 40.868 40.800 0.118 0.000 0.929 117 D HN 0.364 nan 8.370 nan 0.000 0.492 118 L N 0.614 121.904 121.223 0.111 0.000 2.265 118 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 118 L C 2.073 178.976 176.870 0.055 0.000 1.117 118 L CA 0.839 55.731 54.840 0.087 0.000 0.782 118 L CB -0.399 41.729 42.059 0.114 0.000 0.914 118 L HN -0.017 nan 8.230 nan 0.000 0.441 119 E N 0.586 120.816 120.200 0.050 0.000 2.204 119 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 119 E C 2.145 178.762 176.600 0.029 0.000 0.990 119 E CA 1.056 57.478 56.400 0.036 0.000 0.821 119 E CB -0.073 29.646 29.700 0.032 0.000 0.750 119 E HN 0.551 nan 8.360 nan 0.000 0.477 120 R N 0.849 121.366 120.500 0.028 0.000 2.236 120 R HA 0.015 4.355 4.340 -0.000 0.000 0.208 120 R C 0.568 176.878 176.300 0.016 0.000 1.036 120 R CA 0.187 56.299 56.100 0.021 0.000 1.001 120 R CB -0.320 29.991 30.300 0.020 0.000 0.896 120 R HN 0.014 nan 8.270 nan 0.000 0.464 121 L N 2.367 123.600 121.223 0.016 0.000 2.439 121 L HA 0.236 4.576 4.340 -0.000 0.000 0.269 121 L C 0.616 177.493 176.870 0.012 0.000 1.179 121 L CA -0.618 54.228 54.840 0.010 0.000 0.828 121 L CB 0.556 42.619 42.059 0.007 0.000 1.106 121 L HN 0.158 nan 8.230 nan 0.000 0.467 122 R N 0.929 121.434 120.500 0.008 0.000 2.784 122 R HA -0.012 4.328 4.340 -0.000 0.000 0.266 122 R C -0.135 176.175 176.300 0.015 0.000 1.044 122 R CA -0.480 55.626 56.100 0.010 0.000 1.151 122 R CB 0.287 30.589 30.300 0.003 0.000 1.037 122 R HN 0.534 nan 8.270 nan 0.000 0.478 123 D N 2.759 123.171 120.400 0.020 0.000 2.450 123 D HA -0.017 4.623 4.640 -0.000 0.000 0.247 123 D C -1.383 174.933 176.300 0.027 0.000 1.162 123 D CA -1.603 52.413 54.000 0.026 0.000 0.879 123 D CB 1.075 41.891 40.800 0.027 0.000 1.163 123 D HN 0.241 nan 8.370 nan 0.000 0.472 124 P HA -0.133 nan 4.420 nan 0.000 0.220 124 P C 0.679 178.005 177.300 0.044 0.000 1.148 124 P CA 0.976 64.097 63.100 0.036 0.000 0.803 124 P CB 0.276 32.005 31.700 0.047 0.000 0.782 125 E N -0.083 120.144 120.200 0.046 0.000 2.409 125 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 125 E C 1.754 178.383 176.600 0.049 0.000 1.024 125 E CA 0.908 57.338 56.400 0.051 0.000 0.861 125 E CB -0.228 29.499 29.700 0.046 0.000 0.788 125 E HN 0.252 nan 8.360 nan 0.000 0.521 126 V N -2.874 117.062 119.914 0.037 0.000 3.650 126 V HA 0.021 4.141 4.120 -0.000 0.000 0.271 126 V C 1.865 177.972 176.094 0.022 0.000 1.281 126 V CA 0.199 62.519 62.300 0.032 0.000 1.120 126 V CB 0.222 32.059 31.823 0.024 0.000 0.856 126 V HN -0.025 nan 8.190 nan 0.000 0.443 127 V N 1.573 121.495 119.914 0.014 0.000 2.343 127 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 127 V C 3.147 179.219 176.094 -0.036 0.000 1.051 127 V CA 2.389 64.673 62.300 -0.028 0.000 1.036 127 V CB -1.141 30.656 31.823 -0.043 0.000 0.654 127 V HN 0.669 nan 8.190 nan 0.000 0.451 128 A N 0.730 123.587 122.820 0.061 0.000 1.940 128 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 128 A C 2.542 180.189 177.584 0.105 0.000 1.176 128 A CA 2.267 54.404 52.037 0.167 0.000 0.631 128 A CB -0.759 18.438 19.000 0.327 0.000 0.814 128 A HN 0.706 nan 8.150 nan 0.000 0.446 129 S N -0.326 115.423 115.700 0.083 0.000 2.419 129 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 129 S C 1.425 176.022 174.600 -0.004 0.000 1.016 129 S CA 1.309 59.546 58.200 0.062 0.000 0.974 129 S CB -0.300 62.937 63.200 0.061 0.000 0.786 129 S HN 0.553 nan 8.310 nan 0.000 0.492 130 E N 1.038 121.211 120.200 -0.044 0.000 2.358 130 E HA 0.178 4.528 4.350 -0.000 0.000 0.195 130 E C 1.218 177.727 176.600 -0.152 0.000 1.010 130 E CA 0.385 56.751 56.400 -0.055 0.000 0.856 130 E CB -0.121 29.549 29.700 -0.051 0.000 0.795 130 E HN 0.594 nan 8.360 nan 0.000 0.504 131 L N 0.022 121.031 121.223 -0.356 0.000 2.872 131 L HA 0.237 4.577 4.340 -0.000 0.000 0.245 131 L C 1.881 178.149 176.870 -1.004 0.000 1.211 131 L CA -0.182 54.192 54.840 -0.777 0.000 1.013 131 L CB 0.257 41.823 42.059 -0.821 0.000 1.326 131 L HN 0.047 nan 8.230 nan 0.000 0.525 132 G N 0.825 109.312 108.800 -0.521 0.000 2.475 132 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.220 132 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.220 132 G C 1.344 176.122 174.900 -0.204 0.000 1.125 132 G CA 1.354 46.287 45.100 -0.278 0.000 0.755 132 G HN 0.609 nan 8.290 nan 0.000 0.565 133 Y N 0.331 120.544 120.300 -0.145 0.000 2.274 133 Y HA 0.008 4.558 4.550 -0.000 0.000 0.290 133 Y C 2.429 178.292 175.900 -0.061 0.000 1.145 133 Y CA 0.901 58.959 58.100 -0.070 0.000 1.203 133 Y CB -0.843 37.584 38.460 -0.054 0.000 0.984 133 Y HN 0.023 nan 8.280 nan 0.000 0.533 134 V N 0.810 120.397 119.914 -0.545 0.000 2.358 134 V HA -0.256 3.863 4.120 -0.000 0.000 0.246 134 V C 2.290 178.376 176.094 -0.013 0.000 1.047 134 V CA 2.025 64.167 62.300 -0.264 0.000 1.035 134 V CB -1.042 30.575 31.823 -0.344 0.000 0.658 134 V HN 0.509 nan 8.190 nan 0.000 0.452 135 F N 0.120 120.055 119.950 -0.025 0.000 2.171 135 F HA -0.241 4.286 4.527 -0.000 0.000 0.300 135 F C 2.717 178.544 175.800 0.044 0.000 1.090 135 F CA 1.288 59.293 58.000 0.008 0.000 1.293 135 F CB -0.388 38.622 39.000 0.017 0.000 1.013 135 F HN 0.157 nan 8.300 nan 0.000 0.486 136 Q N 0.538 120.469 119.800 0.218 0.000 2.084 136 Q HA -0.182 4.157 4.340 -0.000 0.000 0.202 136 Q C 2.547 178.634 176.000 0.145 0.000 0.978 136 Q CA 1.406 57.309 55.803 0.168 0.000 0.844 136 Q CB -0.387 28.436 28.738 0.142 0.000 0.898 136 Q HN 0.457 nan 8.270 nan 0.000 0.426 137 A N 0.772 123.675 122.820 0.140 0.000 1.902 137 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 137 A C 2.026 179.676 177.584 0.111 0.000 1.181 137 A CA 1.157 53.270 52.037 0.126 0.000 0.623 137 A CB -0.581 18.505 19.000 0.143 0.000 0.818 137 A HN 0.308 nan 8.150 nan 0.000 0.443 138 I N -0.714 119.925 120.570 0.115 0.000 2.202 138 I HA -0.205 3.964 4.170 -0.000 0.000 0.242 138 I C 2.603 178.753 176.117 0.055 0.000 1.091 138 I CA 1.713 63.057 61.300 0.074 0.000 1.368 138 I CB -0.562 37.485 38.000 0.077 0.000 1.058 138 I HN 0.251 nan 8.210 nan 0.000 0.410 139 T N 1.215 115.844 114.554 0.125 0.000 2.708 139 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 139 T C 1.862 176.672 174.700 0.183 0.000 1.037 139 T CA 1.311 63.533 62.100 0.203 0.000 1.146 139 T CB -0.341 68.674 68.868 0.245 0.000 0.865 139 T HN 0.158 nan 8.240 nan 0.000 0.435 140 L N 1.119 122.423 121.223 0.134 0.000 2.012 140 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 140 L C 2.505 179.423 176.870 0.080 0.000 1.073 140 L CA 1.925 56.828 54.840 0.106 0.000 0.748 140 L CB -1.213 40.898 42.059 0.086 0.000 0.891 140 L HN 0.203 nan 8.230 nan 0.000 0.431 141 T N -0.926 113.663 114.554 0.058 0.000 2.777 141 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 141 T C 1.974 176.672 174.700 -0.003 0.000 1.040 141 T CA 1.487 63.606 62.100 0.033 0.000 1.141 141 T CB -0.262 68.630 68.868 0.039 0.000 0.868 141 T HN 0.245 nan 8.240 nan 0.000 0.444 142 R N 1.354 121.821 120.500 -0.056 0.000 2.091 142 R HA -0.071 4.269 4.340 -0.000 0.000 0.238 142 R C 2.387 178.671 176.300 -0.027 0.000 1.136 142 R CA 1.618 57.614 56.100 -0.173 0.000 0.959 142 R CB -0.400 29.571 30.300 -0.548 0.000 0.856 142 R HN 0.480 nan 8.270 nan 0.000 0.437 143 Q N -0.552 119.317 119.800 0.115 0.000 2.020 143 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 143 Q C 2.125 178.180 176.000 0.092 0.000 0.982 143 Q CA 1.368 57.277 55.803 0.176 0.000 0.838 143 Q CB -0.100 28.749 28.738 0.184 0.000 0.899 143 Q HN 0.216 nan 8.270 nan 0.000 0.423 144 R N 0.495 121.033 120.500 0.063 0.000 2.148 144 R HA -0.018 4.322 4.340 -0.000 0.000 0.223 144 R C 2.212 178.530 176.300 0.030 0.000 1.088 144 R CA 0.666 56.792 56.100 0.042 0.000 0.985 144 R CB -0.384 29.937 30.300 0.035 0.000 0.880 144 R HN 0.322 nan 8.270 nan 0.000 0.451 145 L N 0.459 121.695 121.223 0.021 0.000 2.191 145 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 145 L C 1.118 177.999 176.870 0.019 0.000 1.103 145 L CA 0.945 55.792 54.840 0.011 0.000 0.769 145 L CB -0.365 41.688 42.059 -0.011 0.000 0.908 145 L HN 0.220 nan 8.230 nan 0.000 0.438 146 A N -0.140 122.699 122.820 0.032 0.000 2.872 146 A HA -0.155 4.165 4.320 -0.000 0.000 0.273 146 A C 1.321 178.928 177.584 0.038 0.000 1.442 146 A CA 0.810 52.873 52.037 0.043 0.000 0.801 146 A CB -2.108 16.913 19.000 0.036 0.000 1.031 146 A HN 0.993 nan 8.150 nan 0.000 0.582 147 G N -1.569 107.249 108.800 0.030 0.000 2.162 147 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 147 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 147 G C 0.852 175.767 174.900 0.025 0.000 0.976 147 G CA 1.438 46.555 45.100 0.028 0.000 0.655 147 G HN 1.488 nan 8.290 nan 0.000 0.533 148 R N 0.073 120.585 120.500 0.020 0.000 2.083 148 R HA 0.182 4.522 4.340 -0.000 0.000 0.237 148 R C 1.326 177.644 176.300 0.030 0.000 1.137 148 R CA 2.409 58.524 56.100 0.026 0.000 0.951 148 R CB -0.159 30.156 30.300 0.024 0.000 0.851 148 R HN 1.155 nan 8.270 nan 0.000 0.434 149 V N -4.071 115.850 119.914 0.012 0.000 3.232 149 V HA 0.560 4.680 4.120 -0.000 0.000 0.303 149 V C -2.913 173.160 176.094 -0.036 0.000 1.311 149 V CA -2.679 59.623 62.300 0.004 0.000 1.061 149 V CB 1.828 33.648 31.823 -0.005 0.000 1.085 149 V HN -0.025 nan 8.190 nan 0.000 0.447 150 P HA 0.446 nan 4.420 nan 0.000 0.274 150 P C -1.011 176.182 177.300 -0.178 0.000 1.231 150 P CA -0.171 62.885 63.100 -0.074 0.000 0.790 150 P CB 0.730 32.441 31.700 0.019 0.000 0.951 151 L N 3.366 124.496 121.223 -0.155 0.000 2.282 151 L HA 0.431 4.771 4.340 -0.000 0.000 0.288 151 L C -0.666 176.102 176.870 -0.170 0.000 1.033 151 L CA -0.397 54.342 54.840 -0.168 0.000 0.807 151 L CB 0.181 42.161 42.059 -0.132 0.000 1.209 151 L HN 0.218 nan 8.230 nan 0.000 0.423 152 I N 5.028 125.462 120.570 -0.226 0.000 2.331 152 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 152 I C 0.925 177.039 176.117 -0.004 0.000 0.998 152 I CA -0.299 60.893 61.300 -0.179 0.000 1.267 152 I CB 1.329 39.074 38.000 -0.426 0.000 1.386 152 I HN 0.748 nan 8.210 nan 0.000 0.476 153 G N 5.315 114.134 108.800 0.031 0.000 2.488 153 G HA2 0.740 4.699 3.960 -0.000 0.000 0.318 153 G HA3 0.740 4.699 3.960 -0.000 0.000 0.318 153 G C -1.029 174.004 174.900 0.221 0.000 1.188 153 G CA -0.304 44.836 45.100 0.066 0.000 0.944 153 G HN 0.624 nan 8.290 nan 0.000 0.495 154 F N -2.155 117.835 119.950 0.067 0.000 2.741 154 F HA 0.836 5.363 4.527 -0.000 0.000 0.311 154 F C -0.551 175.378 175.800 0.214 0.000 1.149 154 F CA -1.138 56.979 58.000 0.194 0.000 0.930 154 F CB 1.160 40.410 39.000 0.418 0.000 1.312 154 F HN 1.002 nan 8.300 nan 0.000 0.450 155 A N 0.479 123.598 122.820 0.498 0.000 2.599 155 A HA 0.810 5.129 4.320 -0.000 0.000 0.290 155 A C -0.692 177.241 177.584 0.581 0.000 1.101 155 A CA -0.549 51.756 52.037 0.446 0.000 0.674 155 A CB 0.926 20.127 19.000 0.336 0.000 1.277 155 A HN 1.836 nan 8.150 nan 0.000 0.419 156 G N -0.057 109.015 108.800 0.454 0.000 2.444 156 G HA2 0.650 4.610 3.960 -0.000 0.000 0.268 156 G HA3 0.650 4.610 3.960 -0.000 0.000 0.268 156 G C 0.399 175.492 174.900 0.321 0.000 1.203 156 G CA 0.394 45.731 45.100 0.396 0.000 0.835 156 G HN 1.705 nan 8.290 nan 0.000 0.543 157 A N 3.401 126.403 122.820 0.304 0.000 2.425 157 A HA 0.509 4.829 4.320 -0.000 0.000 0.242 157 A C -0.776 176.941 177.584 0.221 0.000 1.077 157 A CA -0.840 51.353 52.037 0.259 0.000 0.781 157 A CB 0.520 19.672 19.000 0.253 0.000 1.020 157 A HN 0.465 nan 8.150 nan 0.000 0.494 158 P HA -0.198 nan 4.420 nan 0.000 0.214 158 P C 1.576 178.956 177.300 0.133 0.000 1.163 158 P CA 1.730 64.908 63.100 0.130 0.000 0.889 158 P CB -0.194 31.563 31.700 0.094 0.000 0.790 159 W N 0.230 121.551 121.300 0.036 0.000 2.358 159 W HA -0.174 4.486 4.660 -0.000 0.000 0.303 159 W C 1.430 177.994 176.519 0.075 0.000 1.208 159 W CA 1.841 59.200 57.345 0.023 0.000 1.274 159 W CB -1.070 28.421 29.460 0.052 0.000 1.138 159 W HN -0.060 nan 8.180 nan 0.000 0.515 160 T N 2.319 116.839 114.554 -0.056 0.000 2.746 160 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 160 T C 1.964 176.668 174.700 0.008 0.000 1.039 160 T CA 1.897 63.953 62.100 -0.073 0.000 1.142 160 T CB -0.558 68.413 68.868 0.171 0.000 0.866 160 T HN 0.148 nan 8.240 nan 0.000 0.444 161 L N 0.505 121.762 121.223 0.056 0.000 2.093 161 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 161 L C 2.652 179.451 176.870 -0.119 0.000 1.085 161 L CA 1.208 56.084 54.840 0.059 0.000 0.755 161 L CB -0.580 41.516 42.059 0.061 0.000 0.904 161 L HN 0.322 nan 8.230 nan 0.000 0.435 162 M N 0.271 119.731 119.600 -0.234 0.000 2.108 162 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 162 M C 2.428 178.386 176.300 -0.569 0.000 1.066 162 M CA 2.492 57.563 55.300 -0.382 0.000 1.107 162 M CB -0.284 32.137 32.600 -0.300 0.000 1.356 162 M HN 0.420 nan 8.290 nan 0.000 0.406 163 T N -1.682 112.419 114.554 -0.755 0.000 2.746 163 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 163 T C 1.526 175.843 174.700 -0.638 0.000 1.039 163 T CA 1.638 63.229 62.100 -0.848 0.000 1.142 163 T CB -1.146 67.084 68.868 -1.063 0.000 0.866 163 T HN 0.590 nan 8.240 nan 0.000 0.444 164 Y N 1.311 121.382 120.300 -0.380 0.000 2.200 164 Y HA 0.116 4.666 4.550 -0.000 0.000 0.290 164 Y C 2.834 178.359 175.900 -0.625 0.000 1.137 164 Y CA 1.287 59.212 58.100 -0.293 0.000 1.163 164 Y CB -0.448 37.994 38.460 -0.030 0.000 0.988 164 Y HN 0.158 nan 8.280 nan 0.000 0.518 165 M N -1.348 117.897 119.600 -0.592 0.000 2.229 165 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 165 M C 1.813 177.747 176.300 -0.609 0.000 1.063 165 M CA 1.138 55.960 55.300 -0.796 0.000 1.114 165 M CB -0.281 31.975 32.600 -0.574 0.000 1.387 165 M HN 0.092 nan 8.290 nan 0.000 0.420 166 V N -0.631 118.938 119.914 -0.574 0.000 2.492 166 V HA -0.081 4.039 4.120 -0.000 0.000 0.241 166 V C 2.215 178.099 176.094 -0.349 0.000 1.041 166 V CA 1.201 63.177 62.300 -0.540 0.000 1.057 166 V CB -0.410 30.947 31.823 -0.777 0.000 0.711 166 V HN 0.317 nan 8.190 nan 0.000 0.468 167 E N 0.548 120.539 120.200 -0.350 0.000 2.152 167 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 167 E C 1.914 178.436 176.600 -0.131 0.000 0.983 167 E CA 1.043 57.297 56.400 -0.243 0.000 0.818 167 E CB -0.301 29.208 29.700 -0.318 0.000 0.758 167 E HN 0.659 nan 8.360 nan 0.000 0.467 168 G N 0.429 109.165 108.800 -0.107 0.000 2.136 168 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 168 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 168 G C 0.529 175.597 174.900 0.280 0.000 0.989 168 G CA 0.685 45.848 45.100 0.104 0.000 0.682 168 G HN 0.752 nan 8.290 nan 0.000 0.522 169 G N -2.021 106.923 108.800 0.240 0.000 2.343 169 G HA2 0.621 4.581 3.960 -0.000 0.000 0.289 169 G HA3 0.621 4.581 3.960 -0.000 0.000 0.289 169 G C 0.413 175.338 174.900 0.041 0.000 1.295 169 G CA 0.626 45.898 45.100 0.287 0.000 0.869 169 G HN 1.808 nan 8.290 nan 0.000 0.522 170 G N -0.845 108.009 108.800 0.091 0.000 2.664 170 G HA2 0.575 4.535 3.960 -0.000 0.000 0.242 170 G HA3 0.575 4.535 3.960 -0.000 0.000 0.242 170 G C 0.251 175.058 174.900 -0.156 0.000 1.225 170 G CA 1.250 46.305 45.100 -0.076 0.000 0.849 170 G HN 1.740 nan 8.290 nan 0.000 0.581 171 S N -1.822 113.743 115.700 -0.224 0.000 2.547 171 S HA 0.446 4.916 4.470 -0.000 0.000 0.270 171 S C 0.920 175.437 174.600 -0.138 0.000 1.150 171 S CA 0.251 58.332 58.200 -0.199 0.000 0.850 171 S CB 1.329 64.344 63.200 -0.308 0.000 1.118 171 S HN 1.248 nan 8.310 nan 0.000 0.461 172 S N 1.384 117.050 115.700 -0.056 0.000 2.501 172 S HA 0.046 4.516 4.470 -0.000 0.000 0.220 172 S C 1.318 175.952 174.600 0.056 0.000 0.997 172 S CA 1.139 59.368 58.200 0.047 0.000 0.919 172 S CB -0.403 62.833 63.200 0.060 0.000 0.778 172 S HN 1.041 nan 8.310 nan 0.000 0.523 173 T N -2.634 111.866 114.554 -0.091 0.000 2.958 173 T HA 0.315 4.665 4.350 -0.000 0.000 0.256 173 T C 0.663 175.227 174.700 -0.226 0.000 0.983 173 T CA 0.038 62.099 62.100 -0.064 0.000 0.924 173 T CB -0.131 68.731 68.868 -0.009 0.000 1.136 173 T HN 0.120 nan 8.240 nan 0.000 0.506 174 M N 0.866 120.241 119.600 -0.376 0.000 2.393 174 M HA -0.220 4.260 4.480 -0.000 0.000 0.201 174 M C 1.381 177.619 176.300 -0.102 0.000 0.403 174 M CA 0.732 55.839 55.300 -0.323 0.000 0.471 174 M CB -2.622 29.757 32.600 -0.368 0.000 1.669 174 M HN 0.611 nan 8.290 nan 0.000 0.864 175 A N -0.269 122.510 122.820 -0.068 0.000 1.933 175 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 175 A C 2.075 179.676 177.584 0.029 0.000 1.175 175 A CA 1.944 53.984 52.037 0.005 0.000 0.628 175 A CB -0.228 18.772 19.000 0.001 0.000 0.814 175 A HN 0.756 nan 8.150 nan 0.000 0.444 176 Q N -0.830 118.963 119.800 -0.012 0.000 2.083 176 Q HA 0.008 4.348 4.340 -0.000 0.000 0.198 176 Q C 2.424 178.455 176.000 0.051 0.000 0.969 176 Q CA 1.131 56.950 55.803 0.026 0.000 0.838 176 Q CB -0.314 28.409 28.738 -0.026 0.000 0.900 176 Q HN 0.665 nan 8.270 nan 0.000 0.436 177 A N 1.653 124.435 122.820 -0.062 0.000 1.898 177 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 177 A C 1.911 179.606 177.584 0.184 0.000 1.181 177 A CA 1.269 53.261 52.037 -0.075 0.000 0.620 177 A CB -0.195 18.632 19.000 -0.289 0.000 0.819 177 A HN 0.142 nan 8.150 nan 0.000 0.442 178 K N -0.793 119.730 120.400 0.204 0.000 2.148 178 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 178 K C 2.279 178.992 176.600 0.190 0.000 1.050 178 K CA 1.225 57.612 56.287 0.167 0.000 0.942 178 K CB -0.113 32.502 32.500 0.192 0.000 0.724 178 K HN 0.436 nan 8.250 nan 0.000 0.446 179 R N 0.076 120.700 120.500 0.207 0.000 2.081 179 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 179 R C 1.689 178.107 176.300 0.196 0.000 1.131 179 R CA 1.523 57.746 56.100 0.205 0.000 0.960 179 R CB -0.167 30.225 30.300 0.153 0.000 0.856 179 R HN 0.221 nan 8.270 nan 0.000 0.436 180 W N 0.979 122.255 121.300 -0.040 0.000 2.335 180 W HA -0.165 4.495 4.660 -0.000 0.000 0.311 180 W C 1.900 178.298 176.519 -0.202 0.000 1.213 180 W CA 1.300 58.590 57.345 -0.092 0.000 1.274 180 W CB -0.580 28.820 29.460 -0.100 0.000 1.148 180 W HN 0.100 nan 8.180 nan 0.000 0.498 181 L N -1.785 119.362 121.223 -0.127 0.000 2.042 181 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 181 L C 2.092 178.722 176.870 -0.399 0.000 1.076 181 L CA 1.554 55.998 54.840 -0.660 0.000 0.749 181 L CB -1.130 40.304 42.059 -1.041 0.000 0.893 181 L HN 0.070 nan 8.230 nan 0.000 0.432 182 Y N -0.712 119.533 120.300 -0.091 0.000 2.347 182 Y HA -0.079 4.471 4.550 -0.000 0.000 0.294 182 Y C 2.674 178.565 175.900 -0.016 0.000 1.117 182 Y CA 0.639 58.727 58.100 -0.019 0.000 1.184 182 Y CB 0.192 38.646 38.460 -0.009 0.000 1.047 182 Y HN 0.146 nan 8.280 nan 0.000 0.546 183 Q N -0.292 119.569 119.800 0.102 0.000 2.373 183 Q HA 0.130 4.470 4.340 -0.000 0.000 0.210 183 Q C 0.327 176.284 176.000 -0.072 0.000 0.913 183 Q CA 0.422 56.231 55.803 0.011 0.000 0.911 183 Q CB 0.508 29.233 28.738 -0.023 0.000 1.040 183 Q HN 0.326 nan 8.270 nan 0.000 0.521 184 R N 0.714 121.138 120.500 -0.125 0.000 2.881 184 R HA 0.180 4.520 4.340 -0.000 0.000 0.331 184 R C -2.103 174.155 176.300 -0.070 0.000 1.207 184 R CA -1.151 54.828 56.100 -0.201 0.000 1.265 184 R CB 0.691 30.653 30.300 -0.564 0.000 1.351 184 R HN 0.051 nan 8.270 nan 0.000 0.613 185 P HA -0.208 nan 4.420 nan 0.000 0.216 185 P C 0.864 178.316 177.300 0.253 0.000 1.150 185 P CA 1.333 64.538 63.100 0.175 0.000 0.837 185 P CB 0.429 32.306 31.700 0.295 0.000 0.786 186 Q N -0.214 119.702 119.800 0.194 0.000 2.046 186 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 186 Q C 2.462 178.575 176.000 0.188 0.000 0.975 186 Q CA 1.644 57.579 55.803 0.220 0.000 0.836 186 Q CB -0.678 28.135 28.738 0.124 0.000 0.896 186 Q HN 0.180 nan 8.270 nan 0.000 0.428 187 A N 0.488 123.361 122.820 0.088 0.000 1.933 187 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 187 A C 2.246 179.994 177.584 0.274 0.000 1.175 187 A CA 1.676 53.773 52.037 0.100 0.000 0.628 187 A CB -0.456 18.468 19.000 -0.127 0.000 0.814 187 A HN 0.240 nan 8.150 nan 0.000 0.444 188 S N -0.832 115.025 115.700 0.262 0.000 2.356 188 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 188 S C 1.914 176.618 174.600 0.173 0.000 1.032 188 S CA 1.172 59.520 58.200 0.247 0.000 1.005 188 S CB -0.569 62.628 63.200 -0.004 0.000 0.867 188 S HN 0.709 nan 8.310 nan 0.000 0.449 189 H N 1.244 120.504 119.070 0.318 0.000 2.387 189 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 189 H C 2.385 177.810 175.328 0.161 0.000 1.090 189 H CA 1.474 57.693 56.048 0.285 0.000 1.332 189 H CB -0.422 29.516 29.762 0.294 0.000 1.386 189 H HN 0.489 nan 8.280 nan 0.000 0.516 190 Q N 0.285 120.244 119.800 0.265 0.000 2.061 190 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 190 Q C 2.373 178.443 176.000 0.116 0.000 0.984 190 Q CA 1.369 57.277 55.803 0.176 0.000 0.846 190 Q CB -0.067 28.764 28.738 0.155 0.000 0.902 190 Q HN 0.259 nan 8.270 nan 0.000 0.421 191 L N 0.552 121.843 121.223 0.114 0.000 2.017 191 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 191 L C 2.059 178.896 176.870 -0.055 0.000 1.073 191 L CA 1.600 56.460 54.840 0.033 0.000 0.745 191 L CB -0.537 41.535 42.059 0.021 0.000 0.894 191 L HN 0.296 nan 8.230 nan 0.000 0.432 192 L N -0.770 120.369 121.223 -0.140 0.000 2.083 192 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 192 L C 2.732 179.378 176.870 -0.374 0.000 1.083 192 L CA 1.310 55.899 54.840 -0.418 0.000 0.752 192 L CB -0.541 40.986 42.059 -0.887 0.000 0.899 192 L HN 0.277 nan 8.230 nan 0.000 0.433 193 R N 0.827 121.257 120.500 -0.116 0.000 2.075 193 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 193 R C 2.062 178.410 176.300 0.080 0.000 1.126 193 R CA 1.483 57.649 56.100 0.109 0.000 0.963 193 R CB -0.560 29.862 30.300 0.203 0.000 0.858 193 R HN 0.237 nan 8.270 nan 0.000 0.435 194 I N 0.180 120.778 120.570 0.047 0.000 2.163 194 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 194 I C 2.000 178.139 176.117 0.036 0.000 1.085 194 I CA 1.320 62.645 61.300 0.043 0.000 1.347 194 I CB -0.211 37.807 38.000 0.029 0.000 1.044 194 I HN 0.168 nan 8.210 nan 0.000 0.408 195 L N -0.313 120.916 121.223 0.010 0.000 2.056 195 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 195 L C 2.591 179.507 176.870 0.077 0.000 1.078 195 L CA 1.482 56.337 54.840 0.025 0.000 0.749 195 L CB -0.820 41.236 42.059 -0.005 0.000 0.901 195 L HN 0.240 nan 8.230 nan 0.000 0.433 196 T N -0.984 113.628 114.554 0.096 0.000 2.708 196 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 196 T C 1.416 176.200 174.700 0.140 0.000 1.037 196 T CA 1.513 63.710 62.100 0.161 0.000 1.146 196 T CB -0.238 68.780 68.868 0.251 0.000 0.865 196 T HN 0.296 nan 8.240 nan 0.000 0.435 197 D N 1.106 121.577 120.400 0.118 0.000 2.218 197 D HA 0.043 4.682 4.640 -0.000 0.000 0.204 197 D C 2.160 178.518 176.300 0.096 0.000 0.976 197 D CA 0.894 54.955 54.000 0.102 0.000 0.853 197 D CB -0.266 40.586 40.800 0.087 0.000 0.939 197 D HN 0.427 nan 8.370 nan 0.000 0.481 198 A N 0.228 123.102 122.820 0.091 0.000 1.898 198 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 198 A C 2.295 179.965 177.584 0.143 0.000 1.183 198 A CA 0.412 52.501 52.037 0.087 0.000 0.622 198 A CB -0.550 18.478 19.000 0.045 0.000 0.824 198 A HN 0.160 nan 8.150 nan 0.000 0.444 199 L N -0.434 120.888 121.223 0.164 0.000 2.083 199 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 199 L C 2.518 179.520 176.870 0.220 0.000 1.083 199 L CA 0.900 55.882 54.840 0.237 0.000 0.752 199 L CB -0.516 41.675 42.059 0.220 0.000 0.899 199 L HN 0.235 nan 8.230 nan 0.000 0.433 200 V N 0.445 120.457 119.914 0.163 0.000 2.237 200 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 200 V C -0.225 175.940 176.094 0.118 0.000 1.046 200 V CA 2.176 64.551 62.300 0.124 0.000 1.007 200 V CB -1.716 30.167 31.823 0.100 0.000 0.638 200 V HN 0.365 nan 8.190 nan 0.000 0.445 201 P HA -0.190 nan 4.420 nan 0.000 0.218 201 P C 1.528 178.960 177.300 0.220 0.000 1.149 201 P CA 1.539 64.720 63.100 0.135 0.000 0.817 201 P CB -0.158 31.621 31.700 0.131 0.000 0.785 202 Y N 1.153 121.533 120.300 0.133 0.000 2.163 202 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 202 Y C 2.286 178.296 175.900 0.182 0.000 1.136 202 Y CA 1.257 59.483 58.100 0.211 0.000 1.147 202 Y CB -1.306 37.223 38.460 0.114 0.000 0.987 202 Y HN -0.244 nan 8.280 nan 0.000 0.509 203 L N -1.208 119.994 121.223 -0.035 0.000 2.046 203 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 203 L C 2.437 179.242 176.870 -0.110 0.000 1.077 203 L CA 1.231 55.983 54.840 -0.146 0.000 0.747 203 L CB -0.840 41.200 42.059 -0.031 0.000 0.896 203 L HN 0.076 nan 8.230 nan 0.000 0.432 204 V N 0.254 120.137 119.914 -0.052 0.000 2.287 204 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 204 V C 2.629 178.616 176.094 -0.178 0.000 1.053 204 V CA 2.111 64.366 62.300 -0.075 0.000 1.027 204 V CB -1.352 30.451 31.823 -0.033 0.000 0.646 204 V HN 0.597 nan 8.190 nan 0.000 0.447 205 G N -1.332 107.314 108.800 -0.257 0.000 2.442 205 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.219 205 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.219 205 G C 1.493 175.890 174.900 -0.839 0.000 1.141 205 G CA 0.826 45.470 45.100 -0.761 0.000 0.763 205 G HN 0.553 nan 8.290 nan 0.000 0.554 206 Q N -0.334 119.243 119.800 -0.372 0.000 2.124 206 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 206 Q C 2.863 178.767 176.000 -0.161 0.000 0.977 206 Q CA 1.295 56.992 55.803 -0.177 0.000 0.850 206 Q CB -0.188 28.439 28.738 -0.186 0.000 0.901 206 Q HN 0.426 nan 8.270 nan 0.000 0.429 207 V N 0.100 119.922 119.914 -0.153 0.000 2.358 207 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 207 V C 2.244 178.290 176.094 -0.081 0.000 1.047 207 V CA 1.259 63.503 62.300 -0.093 0.000 1.035 207 V CB -0.391 31.395 31.823 -0.061 0.000 0.658 207 V HN 0.170 nan 8.190 nan 0.000 0.452 208 V N 0.568 120.402 119.914 -0.134 0.000 2.392 208 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 208 V C 2.611 178.681 176.094 -0.041 0.000 1.059 208 V CA 2.081 64.321 62.300 -0.100 0.000 1.051 208 V CB -1.074 30.645 31.823 -0.173 0.000 0.658 208 V HN 0.572 nan 8.190 nan 0.000 0.455 209 A N -1.024 121.729 122.820 -0.111 0.000 2.168 209 A HA 0.326 4.646 4.320 -0.000 0.000 0.215 209 A C 1.929 179.567 177.584 0.090 0.000 1.152 209 A CA 1.442 53.490 52.037 0.020 0.000 0.716 209 A CB -0.247 18.759 19.000 0.009 0.000 0.794 209 A HN 1.102 nan 8.150 nan 0.000 0.465 210 G N -2.825 105.959 108.800 -0.026 0.000 2.370 210 G HA2 0.253 4.213 3.960 -0.000 0.000 0.174 210 G HA3 0.253 4.213 3.960 -0.000 0.000 0.174 210 G C 0.331 175.080 174.900 -0.251 0.000 1.002 210 G CA -0.032 44.906 45.100 -0.270 0.000 0.730 210 G HN 1.343 nan 8.290 nan 0.000 0.497 211 A N 0.210 122.950 122.820 -0.134 0.000 2.511 211 A HA 0.587 4.907 4.320 -0.000 0.000 0.242 211 A C 1.011 178.550 177.584 -0.076 0.000 1.069 211 A CA 1.094 53.069 52.037 -0.102 0.000 0.763 211 A CB 0.271 19.226 19.000 -0.074 0.000 1.001 211 A HN 0.464 nan 8.150 nan 0.000 0.498 212 Q N 0.346 120.109 119.800 -0.062 0.000 2.247 212 Q HA 0.457 4.797 4.340 -0.000 0.000 0.211 212 Q C 0.140 176.158 176.000 0.029 0.000 0.861 212 Q CA 0.675 56.473 55.803 -0.008 0.000 0.949 212 Q CB 0.621 29.355 28.738 -0.007 0.000 1.115 212 Q HN 0.928 nan 8.270 nan 0.000 0.507 213 A N 0.417 123.242 122.820 0.009 0.000 2.601 213 A HA 0.702 5.022 4.320 -0.000 0.000 0.291 213 A C -1.971 175.619 177.584 0.010 0.000 1.075 213 A CA -0.660 51.388 52.037 0.019 0.000 0.671 213 A CB 1.091 20.174 19.000 0.137 0.000 1.277 213 A HN 0.135 nan 8.150 nan 0.000 0.417 214 L N 0.667 121.904 121.223 0.023 0.000 2.408 214 L HA 0.662 5.002 4.340 -0.000 0.000 0.268 214 L C -0.433 176.502 176.870 0.108 0.000 0.986 214 L CA -0.431 54.447 54.840 0.063 0.000 0.820 214 L CB 2.304 44.391 42.059 0.047 0.000 1.303 214 L HN 0.894 nan 8.230 nan 0.000 0.411 215 Q N 2.578 122.469 119.800 0.152 0.000 2.333 215 Q HA 0.585 4.925 4.340 -0.000 0.000 0.267 215 Q C -1.744 174.329 176.000 0.122 0.000 1.012 215 Q CA -0.731 55.117 55.803 0.076 0.000 0.824 215 Q CB 2.387 31.092 28.738 -0.056 0.000 1.290 215 Q HN 0.526 nan 8.270 nan 0.000 0.449 216 L N 4.519 125.795 121.223 0.088 0.000 2.287 216 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 216 L C -1.608 175.313 176.870 0.084 0.000 1.022 216 L CA -0.017 54.934 54.840 0.185 0.000 0.814 216 L CB 0.773 42.966 42.059 0.224 0.000 1.217 216 L HN 0.645 nan 8.230 nan 0.000 0.420 217 F N 3.372 123.489 119.950 0.278 0.000 2.350 217 F HA 0.287 4.813 4.527 -0.000 0.000 0.365 217 F C 0.646 176.552 175.800 0.177 0.000 1.122 217 F CA -0.414 57.745 58.000 0.265 0.000 1.139 217 F CB 0.921 40.091 39.000 0.284 0.000 1.220 217 F HN 0.476 nan 8.300 nan 0.000 0.499 218 E N 1.535 121.868 120.200 0.222 0.000 2.201 218 E HA 0.168 4.518 4.350 -0.000 0.000 0.272 218 E C 0.663 177.303 176.600 0.065 0.000 1.228 218 E CA 0.023 56.533 56.400 0.182 0.000 1.305 218 E CB 0.012 29.826 29.700 0.190 0.000 1.381 218 E HN 0.475 nan 8.360 nan 0.000 0.475 219 S N 0.646 116.379 115.700 0.054 0.000 2.447 219 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 219 S C 0.535 174.996 174.600 -0.233 0.000 1.006 219 S CA 0.783 58.906 58.200 -0.128 0.000 0.957 219 S CB -0.232 62.920 63.200 -0.081 0.000 0.773 219 S HN 0.610 nan 8.310 nan 0.000 0.507 220 H N -0.095 119.105 119.070 0.216 0.000 2.487 220 H HA 0.485 5.041 4.556 -0.000 0.000 0.290 220 H C 1.676 177.343 175.328 0.565 0.000 1.081 220 H CA 0.123 56.380 56.048 0.347 0.000 1.116 220 H CB 0.168 30.036 29.762 0.177 0.000 1.560 220 H HN 0.341 nan 8.280 nan 0.000 0.548 221 A N 0.517 123.606 122.820 0.447 0.000 1.940 221 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 221 A C 2.547 180.365 177.584 0.391 0.000 1.176 221 A CA 1.619 53.937 52.037 0.468 0.000 0.631 221 A CB -0.903 18.216 19.000 0.198 0.000 0.814 221 A HN 0.548 nan 8.150 nan 0.000 0.446 222 G N -1.832 107.076 108.800 0.180 0.000 2.534 222 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 222 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 222 G C 1.170 176.124 174.900 0.089 0.000 1.128 222 G CA 0.986 46.164 45.100 0.131 0.000 0.784 222 G HN 0.770 nan 8.290 nan 0.000 0.542 223 H N -0.590 118.647 119.070 0.278 0.000 2.495 223 H HA 0.226 4.782 4.556 -0.000 0.000 0.287 223 H C 0.844 176.256 175.328 0.140 0.000 1.033 223 H CA 0.034 56.213 56.048 0.219 0.000 1.307 223 H CB 0.115 30.048 29.762 0.286 0.000 1.401 223 H HN 0.199 nan 8.280 nan 0.000 0.555 224 L N 0.634 121.994 121.223 0.227 0.000 2.334 224 L HA 0.311 4.651 4.340 -0.000 0.000 0.277 224 L C 1.193 177.942 176.870 -0.201 0.000 1.075 224 L CA -0.774 54.077 54.840 0.018 0.000 0.804 224 L CB 1.356 43.406 42.059 -0.016 0.000 1.174 224 L HN 0.198 nan 8.230 nan 0.000 0.438 225 G N 1.517 110.153 108.800 -0.272 0.000 2.525 225 G HA2 0.306 4.266 3.960 -0.000 0.000 0.287 225 G HA3 0.306 4.266 3.960 -0.000 0.000 0.287 225 G C -1.937 172.551 174.900 -0.686 0.000 1.350 225 G CA -0.896 43.840 45.100 -0.607 0.000 1.039 225 G HN 0.429 nan 8.290 nan 0.000 0.513 226 P HA -0.133 nan 4.420 nan 0.000 0.215 226 P C 1.768 179.053 177.300 -0.024 0.000 1.157 226 P CA 1.452 64.395 63.100 -0.261 0.000 0.874 226 P CB 0.121 31.727 31.700 -0.157 0.000 0.790 227 Q N -0.799 118.971 119.800 -0.051 0.000 2.020 227 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 227 Q C 2.335 178.346 176.000 0.019 0.000 0.982 227 Q CA 1.243 57.048 55.803 0.003 0.000 0.838 227 Q CB -0.732 28.013 28.738 0.012 0.000 0.899 227 Q HN 0.239 nan 8.270 nan 0.000 0.423 228 L N -0.488 120.736 121.223 0.003 0.000 2.093 228 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 228 L C 2.282 179.173 176.870 0.035 0.000 1.085 228 L CA 0.834 55.682 54.840 0.012 0.000 0.755 228 L CB -0.331 41.650 42.059 -0.130 0.000 0.904 228 L HN 0.237 nan 8.230 nan 0.000 0.435 229 F N 1.302 121.203 119.950 -0.080 0.000 2.102 229 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 229 F C 2.361 178.174 175.800 0.022 0.000 1.105 229 F CA 1.589 59.584 58.000 -0.008 0.000 1.239 229 F CB -0.166 38.947 39.000 0.189 0.000 0.991 229 F HN 0.120 nan 8.300 nan 0.000 0.474 230 N N 0.651 119.466 118.700 0.192 0.000 2.223 230 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 230 N C 1.628 177.087 175.510 -0.084 0.000 1.016 230 N CA 1.388 54.478 53.050 0.066 0.000 0.863 230 N CB -0.295 38.245 38.487 0.087 0.000 0.983 230 N HN 0.416 nan 8.380 nan 0.000 0.429 231 K N -1.072 119.245 120.400 -0.140 0.000 2.137 231 K HA 0.105 4.425 4.320 -0.000 0.000 0.202 231 K C 0.960 177.310 176.600 -0.416 0.000 1.052 231 K CA 0.774 56.858 56.287 -0.340 0.000 0.961 231 K CB 0.116 32.282 32.500 -0.557 0.000 0.741 231 K HN 0.139 nan 8.250 nan 0.000 0.452 232 F N -1.182 118.729 119.950 -0.065 0.000 2.752 232 F HA 0.264 4.791 4.527 -0.000 0.000 0.310 232 F C 1.728 177.539 175.800 0.019 0.000 1.097 232 F CA -0.165 57.829 58.000 -0.011 0.000 1.238 232 F CB 0.683 39.539 39.000 -0.241 0.000 1.061 232 F HN -0.063 nan 8.300 nan 0.000 0.591 233 A N -0.351 122.398 122.820 -0.117 0.000 1.993 233 A HA 0.142 4.462 4.320 -0.000 0.000 0.202 233 A C 1.687 179.095 177.584 -0.294 0.000 1.461 233 A CA 0.251 52.133 52.037 -0.258 0.000 0.824 233 A CB -0.874 17.663 19.000 -0.772 0.000 1.024 233 A HN 0.157 nan 8.150 nan 0.000 0.507 234 L N 0.948 121.826 121.223 -0.574 0.000 2.043 234 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 234 L C -0.968 175.833 176.870 -0.115 0.000 1.075 234 L CA 2.530 57.212 54.840 -0.263 0.000 0.752 234 L CB -1.063 40.928 42.059 -0.113 0.000 0.891 234 L HN 0.174 nan 8.230 nan 0.000 0.432 235 P HA -0.163 nan 4.420 nan 0.000 0.217 235 P C 1.037 178.132 177.300 -0.342 0.000 1.150 235 P CA 1.653 64.556 63.100 -0.329 0.000 0.832 235 P CB -0.138 31.218 31.700 -0.574 0.000 0.787 236 Y N -1.255 119.069 120.300 0.040 0.000 2.263 236 Y HA -0.047 4.502 4.550 -0.000 0.000 0.292 236 Y C 2.329 178.298 175.900 0.115 0.000 1.130 236 Y CA 0.540 58.692 58.100 0.086 0.000 1.179 236 Y CB -1.135 37.391 38.460 0.111 0.000 0.998 236 Y HN -0.146 nan 8.280 nan 0.000 0.532 237 I N 0.139 120.841 120.570 0.220 0.000 2.163 237 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 237 I C 2.364 178.669 176.117 0.314 0.000 1.085 237 I CA 1.552 63.000 61.300 0.247 0.000 1.347 237 I CB -0.348 37.738 38.000 0.143 0.000 1.044 237 I HN 0.182 nan 8.210 nan 0.000 0.408 238 R N 0.468 121.082 120.500 0.191 0.000 2.081 238 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 238 R C 1.941 178.295 176.300 0.090 0.000 1.131 238 R CA 1.616 57.804 56.100 0.147 0.000 0.960 238 R CB -0.364 29.974 30.300 0.063 0.000 0.856 238 R HN 0.352 nan 8.270 nan 0.000 0.436 239 D N 0.114 120.557 120.400 0.072 0.000 2.144 239 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 239 D C 1.963 178.319 176.300 0.092 0.000 0.984 239 D CA 0.933 54.971 54.000 0.064 0.000 0.834 239 D CB -0.187 40.656 40.800 0.072 0.000 0.955 239 D HN -0.001 nan 8.370 nan 0.000 0.465 240 V N 1.432 121.435 119.914 0.149 0.000 2.295 240 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 240 V C 2.536 178.663 176.094 0.055 0.000 1.049 240 V CA 1.925 64.312 62.300 0.145 0.000 1.024 240 V CB -0.794 31.166 31.823 0.227 0.000 0.648 240 V HN 0.195 nan 8.190 nan 0.000 0.447 241 A N -0.321 122.483 122.820 -0.027 0.000 1.902 241 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 241 A C 2.354 179.860 177.584 -0.130 0.000 1.181 241 A CA 2.173 54.058 52.037 -0.253 0.000 0.623 241 A CB -0.503 18.083 19.000 -0.690 0.000 0.818 241 A HN 0.534 nan 8.150 nan 0.000 0.443 242 K N -0.460 119.901 120.400 -0.064 0.000 2.026 242 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 242 K C 2.191 178.782 176.600 -0.014 0.000 1.048 242 K CA 1.775 58.041 56.287 -0.034 0.000 0.929 242 K CB -0.229 32.264 32.500 -0.012 0.000 0.713 242 K HN 0.633 nan 8.250 nan 0.000 0.439 243 Q N 0.052 119.855 119.800 0.005 0.000 2.123 243 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 243 Q C 2.167 178.176 176.000 0.014 0.000 0.966 243 Q CA 1.187 57.002 55.803 0.020 0.000 0.845 243 Q CB 0.147 28.911 28.738 0.042 0.000 0.907 243 Q HN 0.142 nan 8.270 nan 0.000 0.439 244 V N 1.508 121.426 119.914 0.007 0.000 2.261 244 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 244 V C 2.057 178.146 176.094 -0.007 0.000 1.047 244 V CA 1.887 64.187 62.300 0.001 0.000 1.015 244 V CB -0.422 31.397 31.823 -0.006 0.000 0.642 244 V HN 0.298 nan 8.190 nan 0.000 0.446 245 K N 0.148 120.536 120.400 -0.019 0.000 2.063 245 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 245 K C 2.288 178.889 176.600 0.001 0.000 1.048 245 K CA 1.520 57.804 56.287 -0.006 0.000 0.928 245 K CB -0.439 32.054 32.500 -0.012 0.000 0.713 245 K HN 0.487 nan 8.250 nan 0.000 0.442 246 A N 1.576 124.395 122.820 -0.000 0.000 1.877 246 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 246 A C 2.050 179.637 177.584 0.005 0.000 1.186 246 A CA 1.289 53.328 52.037 0.003 0.000 0.620 246 A CB -0.360 18.643 19.000 0.005 0.000 0.822 246 A HN 0.196 nan 8.150 nan 0.000 0.443 247 R N -0.687 119.817 120.500 0.006 0.000 2.115 247 R HA 0.022 4.362 4.340 -0.000 0.000 0.230 247 R C 2.018 178.318 176.300 0.000 0.000 1.111 247 R CA 1.166 57.269 56.100 0.005 0.000 0.976 247 R CB -0.444 29.862 30.300 0.009 0.000 0.870 247 R HN 0.500 nan 8.270 nan 0.000 0.445 248 L N 0.072 121.294 121.223 -0.000 0.000 2.056 248 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 248 L C 2.571 179.442 176.870 0.002 0.000 1.078 248 L CA 1.373 56.212 54.840 -0.001 0.000 0.749 248 L CB -0.303 41.759 42.059 0.006 0.000 0.901 248 L HN 0.139 nan 8.230 nan 0.000 0.433 249 R N 0.053 120.555 120.500 0.004 0.000 2.073 249 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 249 R C 2.163 178.463 176.300 -0.001 0.000 1.134 249 R CA 1.547 57.648 56.100 0.001 0.000 0.952 249 R CB -0.267 30.033 30.300 0.001 0.000 0.850 249 R HN 0.411 nan 8.270 nan 0.000 0.433 250 E N 0.188 120.388 120.200 0.000 0.000 2.153 250 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 250 E C 1.622 178.221 176.600 -0.001 0.000 0.988 250 E CA 1.115 57.515 56.400 -0.000 0.000 0.811 250 E CB -0.008 29.693 29.700 0.002 0.000 0.746 250 E HN 0.355 nan 8.360 nan 0.000 0.466 251 A N 0.033 122.851 122.820 -0.003 0.000 2.238 251 A HA 0.255 4.575 4.320 -0.000 0.000 0.208 251 A C 1.674 179.255 177.584 -0.005 0.000 1.177 251 A CA 0.772 52.806 52.037 -0.005 0.000 0.804 251 A CB -0.220 18.774 19.000 -0.010 0.000 0.823 251 A HN 0.326 nan 8.150 nan 0.000 0.482 252 G N -1.511 107.287 108.800 -0.004 0.000 2.141 252 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.242 252 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.242 252 G C -0.012 174.887 174.900 -0.001 0.000 0.982 252 G CA 0.338 45.435 45.100 -0.003 0.000 0.662 252 G HN 0.443 nan 8.290 nan 0.000 0.527 253 L N 0.163 121.387 121.223 0.002 0.000 2.334 253 L HA 0.841 5.181 4.340 -0.000 0.000 0.270 253 L C 1.007 177.885 176.870 0.014 0.000 1.018 253 L CA -0.739 54.106 54.840 0.009 0.000 0.811 253 L CB 1.643 43.707 42.059 0.008 0.000 1.271 253 L HN 0.257 nan 8.230 nan 0.000 0.443 254 A N 1.898 124.732 122.820 0.023 0.000 2.351 254 A HA 0.596 4.916 4.320 -0.000 0.000 0.257 254 A C -2.271 175.350 177.584 0.063 0.000 1.087 254 A CA -1.090 50.966 52.037 0.031 0.000 0.798 254 A CB -0.454 18.566 19.000 0.033 0.000 1.033 254 A HN 0.475 nan 8.150 nan 0.000 0.488 255 P HA 0.373 nan 4.420 nan 0.000 0.274 255 P C -0.433 177.020 177.300 0.255 0.000 1.231 255 P CA -0.070 63.128 63.100 0.165 0.000 0.790 255 P CB 0.889 32.716 31.700 0.212 0.000 0.951 256 V N -1.439 118.586 119.914 0.186 0.000 2.919 256 V HA 0.679 4.799 4.120 -0.000 0.000 0.316 256 V C -2.655 173.411 176.094 -0.046 0.000 1.077 256 V CA -3.117 59.281 62.300 0.164 0.000 0.977 256 V CB 1.401 33.257 31.823 0.055 0.000 1.039 256 V HN 0.350 nan 8.190 nan 0.000 0.441 257 P HA 0.361 nan 4.420 nan 0.000 0.271 257 P C -0.862 176.252 177.300 -0.309 0.000 1.216 257 P CA 0.010 62.662 63.100 -0.748 0.000 0.776 257 P CB 0.582 31.618 31.700 -1.107 0.000 0.881 258 M N 3.024 122.490 119.600 -0.224 0.000 2.383 258 M HA 0.469 4.949 4.480 -0.000 0.000 0.325 258 M C -0.186 176.200 176.300 0.143 0.000 1.092 258 M CA -0.677 54.615 55.300 -0.013 0.000 0.961 258 M CB 1.832 34.383 32.600 -0.083 0.000 1.672 258 M HN 0.164 nan 8.290 nan 0.000 0.438 259 I N 3.135 123.827 120.570 0.203 0.000 2.433 259 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 259 I C -0.913 175.251 176.117 0.079 0.000 1.001 259 I CA -0.798 60.589 61.300 0.145 0.000 1.119 259 I CB 2.040 40.094 38.000 0.091 0.000 1.289 259 I HN 0.517 nan 8.210 nan 0.000 0.438 260 I N 6.906 127.398 120.570 -0.130 0.000 2.362 260 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 260 I C -1.517 174.555 176.117 -0.076 0.000 0.994 260 I CA -0.400 60.688 61.300 -0.354 0.000 1.158 260 I CB 1.025 38.495 38.000 -0.884 0.000 1.315 260 I HN 0.369 nan 8.210 nan 0.000 0.451 261 F N 8.504 128.333 119.950 -0.201 0.000 2.382 261 F HA 0.781 5.308 4.527 -0.000 0.000 0.361 261 F C -0.494 175.271 175.800 -0.058 0.000 1.109 261 F CA -1.140 56.781 58.000 -0.133 0.000 1.031 261 F CB 1.066 39.959 39.000 -0.178 0.000 1.234 261 F HN 0.556 nan 8.300 nan 0.000 0.445 262 A N 7.178 129.738 122.820 -0.434 0.000 2.394 262 A HA 0.358 4.678 4.320 -0.000 0.000 0.333 262 A C -0.174 177.006 177.584 -0.673 0.000 1.397 262 A CA -0.822 50.955 52.037 -0.433 0.000 0.884 262 A CB 0.094 18.944 19.000 -0.249 0.000 1.147 262 A HN 0.756 nan 8.150 nan 0.000 0.505 263 K N 2.394 122.269 120.400 -0.876 0.000 2.401 263 K HA 0.100 4.420 4.320 -0.000 0.000 0.278 263 K C -0.552 175.803 176.600 -0.409 0.000 1.018 263 K CA 0.141 55.980 56.287 -0.747 0.000 0.981 263 K CB 0.187 32.278 32.500 -0.682 0.000 0.933 263 K HN 0.700 nan 8.250 nan 0.000 0.477 264 D N 2.285 122.474 120.400 -0.351 0.000 2.837 264 D HA -0.154 4.486 4.640 -0.000 0.000 0.230 264 D C 0.182 176.337 176.300 -0.241 0.000 1.152 264 D CA 1.319 55.184 54.000 -0.225 0.000 0.736 264 D CB -1.127 39.572 40.800 -0.169 0.000 1.084 264 D HN 0.842 nan 8.370 nan 0.000 0.429 265 G N 0.203 108.726 108.800 -0.461 0.000 3.702 265 G HA2 0.036 3.996 3.960 -0.000 0.000 0.288 265 G HA3 0.036 3.996 3.960 -0.000 0.000 0.288 265 G C 1.344 175.648 174.900 -0.992 0.000 1.193 265 G CA 0.084 44.612 45.100 -0.953 0.000 0.952 265 G HN 0.546 nan 8.290 nan 0.000 0.544 266 H N 0.629 119.363 119.070 -0.560 0.000 2.357 266 H HA -0.241 4.315 4.556 -0.000 0.000 0.296 266 H C 1.891 177.021 175.328 -0.330 0.000 1.108 266 H CA 1.504 57.352 56.048 -0.333 0.000 1.273 266 H CB -0.798 28.865 29.762 -0.166 0.000 1.367 266 H HN 0.565 nan 8.280 nan 0.000 0.498 267 F N 0.793 120.198 119.950 -0.909 0.000 2.604 267 F HA 0.462 4.989 4.527 -0.000 0.000 0.298 267 F C 2.188 177.751 175.800 -0.394 0.000 1.131 267 F CA 0.333 57.971 58.000 -0.602 0.000 1.457 267 F CB -0.227 38.377 39.000 -0.659 0.000 1.095 267 F HN 0.281 nan 8.300 nan 0.000 0.574 268 A N 0.274 122.580 122.820 -0.856 0.000 2.470 268 A HA 0.401 4.721 4.320 -0.000 0.000 0.251 268 A C 1.784 179.173 177.584 -0.326 0.000 1.245 268 A CA -0.239 51.453 52.037 -0.575 0.000 0.932 268 A CB -0.736 17.592 19.000 -1.121 0.000 1.037 268 A HN 0.446 nan 8.150 nan 0.000 0.522 269 L N -0.528 120.528 121.223 -0.278 0.000 2.046 269 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 269 L C 2.491 179.321 176.870 -0.066 0.000 1.077 269 L CA 1.979 56.728 54.840 -0.152 0.000 0.747 269 L CB -0.316 41.678 42.059 -0.108 0.000 0.896 269 L HN 0.622 nan 8.230 nan 0.000 0.432 270 E N 0.465 120.636 120.200 -0.047 0.000 2.058 270 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 270 E C 2.023 178.631 176.600 0.013 0.000 0.997 270 E CA 1.545 57.941 56.400 -0.007 0.000 0.801 270 E CB 0.083 29.784 29.700 0.001 0.000 0.746 270 E HN 0.470 nan 8.360 nan 0.000 0.450 271 E N 0.100 120.311 120.200 0.018 0.000 2.106 271 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 271 E C 2.205 178.849 176.600 0.074 0.000 0.984 271 E CA 0.843 57.279 56.400 0.059 0.000 0.806 271 E CB 0.004 29.766 29.700 0.104 0.000 0.750 271 E HN 0.325 nan 8.360 nan 0.000 0.458 272 L N 0.318 121.567 121.223 0.043 0.000 2.141 272 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 272 L C 2.383 179.294 176.870 0.068 0.000 1.094 272 L CA 0.685 55.553 54.840 0.048 0.000 0.763 272 L CB -0.282 41.760 42.059 -0.027 0.000 0.908 272 L HN 0.134 nan 8.230 nan 0.000 0.437 273 A N -0.772 122.078 122.820 0.051 0.000 2.168 273 A HA -0.147 4.172 4.320 -0.000 0.000 0.215 273 A C 2.020 179.652 177.584 0.082 0.000 1.152 273 A CA 0.981 53.058 52.037 0.067 0.000 0.716 273 A CB -0.212 18.817 19.000 0.048 0.000 0.794 273 A HN 0.499 nan 8.150 nan 0.000 0.465 274 Q N -1.348 118.501 119.800 0.083 0.000 2.282 274 Q HA 0.316 4.656 4.340 -0.000 0.000 0.206 274 Q C 1.550 177.611 176.000 0.102 0.000 0.878 274 Q CA 0.413 56.263 55.803 0.079 0.000 0.944 274 Q CB 0.269 29.043 28.738 0.060 0.000 1.100 274 Q HN 0.586 nan 8.270 nan 0.000 0.509 275 A N 0.197 123.112 122.820 0.159 0.000 2.251 275 A HA 0.385 4.705 4.320 -0.000 0.000 0.209 275 A C 1.309 179.024 177.584 0.218 0.000 1.187 275 A CA 0.675 52.839 52.037 0.211 0.000 0.823 275 A CB -0.165 19.002 19.000 0.277 0.000 0.846 275 A HN 0.372 nan 8.150 nan 0.000 0.486 276 G N -2.091 106.791 108.800 0.137 0.000 2.130 276 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 276 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 276 G C -0.306 174.486 174.900 -0.180 0.000 0.999 276 G CA 0.052 45.140 45.100 -0.019 0.000 0.686 276 G HN 0.386 nan 8.290 nan 0.000 0.515 277 Y N -0.027 120.287 120.300 0.023 0.000 2.360 277 Y HA 0.578 5.128 4.550 -0.000 0.000 0.337 277 Y C 1.370 177.255 175.900 -0.025 0.000 1.039 277 Y CA -0.789 57.309 58.100 -0.003 0.000 1.109 277 Y CB 1.508 39.975 38.460 0.011 0.000 1.201 277 Y HN 0.063 nan 8.280 nan 0.000 0.458 278 E N 1.168 121.381 120.200 0.021 0.000 2.150 278 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 278 E C -0.400 176.186 176.600 -0.024 0.000 0.985 278 E CA 0.862 57.226 56.400 -0.059 0.000 0.814 278 E CB 0.131 29.647 29.700 -0.307 0.000 0.752 278 E HN 0.286 nan 8.360 nan 0.000 0.466 279 V N 0.555 120.475 119.914 0.011 0.000 2.588 279 V HA 0.328 4.448 4.120 -0.000 0.000 0.304 279 V C -0.644 175.485 176.094 0.057 0.000 1.042 279 V CA -0.976 61.330 62.300 0.011 0.000 0.877 279 V CB 2.286 34.086 31.823 -0.038 0.000 0.996 279 V HN -0.251 nan 8.190 nan 0.000 0.425 280 V N 3.380 123.328 119.914 0.057 0.000 2.357 280 V HA 0.667 4.787 4.120 -0.000 0.000 0.284 280 V C 0.775 176.923 176.094 0.090 0.000 1.018 280 V CA -0.313 62.020 62.300 0.054 0.000 0.841 280 V CB 1.604 33.456 31.823 0.047 0.000 0.991 280 V HN 0.988 nan 8.190 nan 0.000 0.437 281 G N 5.006 113.885 108.800 0.131 0.000 2.395 281 G HA2 0.650 4.610 3.960 -0.000 0.000 0.283 281 G HA3 0.650 4.610 3.960 -0.000 0.000 0.283 281 G C -0.850 174.256 174.900 0.343 0.000 1.178 281 G CA -0.416 44.804 45.100 0.199 0.000 0.837 281 G HN 0.582 nan 8.290 nan 0.000 0.518 282 L N 1.291 122.688 121.223 0.291 0.000 2.362 282 L HA 0.376 4.716 4.340 -0.000 0.000 0.271 282 L C -0.263 176.816 176.870 0.348 0.000 1.002 282 L CA -1.178 53.825 54.840 0.271 0.000 0.818 282 L CB 2.323 44.529 42.059 0.245 0.000 1.298 282 L HN 0.752 nan 8.230 nan 0.000 0.420 283 D N -0.743 119.795 120.400 0.230 0.000 2.411 283 D HA 0.044 4.684 4.640 -0.000 0.000 0.251 283 D C 0.683 177.049 176.300 0.109 0.000 1.201 283 D CA -0.587 53.510 54.000 0.162 0.000 0.996 283 D CB 0.577 41.270 40.800 -0.179 0.000 1.101 283 D HN 0.605 nan 8.370 nan 0.000 0.504 284 W N -0.743 120.598 121.300 0.069 0.000 2.937 284 W HA 0.049 4.709 4.660 -0.000 0.000 0.245 284 W C 1.334 177.863 176.519 0.017 0.000 1.306 284 W CA 0.623 57.993 57.345 0.041 0.000 1.470 284 W CB -0.908 28.560 29.460 0.014 0.000 1.132 284 W HN 0.401 nan 8.180 nan 0.000 0.675 285 T N -1.756 112.501 114.554 -0.493 0.000 3.081 285 T HA 0.118 4.468 4.350 -0.000 0.000 0.255 285 T C 0.467 175.059 174.700 -0.180 0.000 1.113 285 T CA 0.096 61.982 62.100 -0.357 0.000 1.082 285 T CB -0.596 67.986 68.868 -0.476 0.000 0.939 285 T HN -0.075 nan 8.240 nan 0.000 0.506 286 V N 2.446 122.287 119.914 -0.122 0.000 2.406 286 V HA 0.674 4.794 4.120 -0.000 0.000 0.272 286 V C 0.773 176.824 176.094 -0.071 0.000 1.043 286 V CA -1.427 60.824 62.300 -0.081 0.000 0.915 286 V CB 0.431 32.226 31.823 -0.046 0.000 0.988 286 V HN 0.608 nan 8.190 nan 0.000 0.466 287 A N 7.141 129.904 122.820 -0.095 0.000 2.488 287 A HA 0.400 4.720 4.320 -0.000 0.000 0.249 287 A C -1.124 176.322 177.584 -0.230 0.000 1.083 287 A CA -0.868 51.088 52.037 -0.136 0.000 0.768 287 A CB 0.021 18.952 19.000 -0.115 0.000 1.017 287 A HN 0.725 nan 8.150 nan 0.000 0.496 288 P HA -0.200 nan 4.420 nan 0.000 0.216 288 P C 1.179 178.190 177.300 -0.481 0.000 1.154 288 P CA 1.615 64.223 63.100 -0.819 0.000 0.865 288 P CB 0.135 30.833 31.700 -1.670 0.000 0.789 289 K N -0.255 119.947 120.400 -0.330 0.000 2.097 289 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 289 K C 2.015 178.541 176.600 -0.123 0.000 1.050 289 K CA 1.273 57.444 56.287 -0.192 0.000 0.938 289 K CB -0.217 32.197 32.500 -0.144 0.000 0.718 289 K HN 0.174 nan 8.250 nan 0.000 0.442 290 K N 0.444 120.775 120.400 -0.114 0.000 2.097 290 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 290 K C 2.181 178.749 176.600 -0.052 0.000 1.050 290 K CA 1.049 57.294 56.287 -0.071 0.000 0.938 290 K CB -0.062 32.400 32.500 -0.064 0.000 0.718 290 K HN 0.098 nan 8.250 nan 0.000 0.442 291 A N 1.499 124.280 122.820 -0.064 0.000 1.902 291 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 291 A C 2.102 179.692 177.584 0.009 0.000 1.181 291 A CA 1.521 53.548 52.037 -0.016 0.000 0.623 291 A CB -0.380 18.631 19.000 0.019 0.000 0.818 291 A HN 0.108 nan 8.150 nan 0.000 0.443 292 R N 0.300 120.797 120.500 -0.005 0.000 2.081 292 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 292 R C 1.947 178.255 176.300 0.013 0.000 1.131 292 R CA 2.022 58.136 56.100 0.023 0.000 0.960 292 R CB -0.512 29.793 30.300 0.007 0.000 0.856 292 R HN 0.714 nan 8.270 nan 0.000 0.436 293 E N -0.932 119.264 120.200 -0.007 0.000 2.058 293 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 293 E C 2.104 178.705 176.600 0.003 0.000 0.997 293 E CA 1.622 58.020 56.400 -0.004 0.000 0.801 293 E CB -0.175 29.516 29.700 -0.014 0.000 0.746 293 E HN 0.395 nan 8.360 nan 0.000 0.450 294 C N 0.129 119.429 119.300 0.001 0.000 2.446 294 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 294 C C 2.836 177.831 174.990 0.009 0.000 1.275 294 C CA 0.780 59.799 59.018 0.001 0.000 1.727 294 C CB -0.793 26.942 27.740 -0.009 0.000 2.010 294 C HN 0.435 nan 8.230 nan 0.000 0.486 295 V N -0.466 119.459 119.914 0.019 0.000 3.052 295 V HA 0.489 4.609 4.120 -0.000 0.000 0.254 295 V C 1.133 177.249 176.094 0.036 0.000 1.100 295 V CA 0.984 63.302 62.300 0.031 0.000 1.112 295 V CB -1.397 30.453 31.823 0.046 0.000 0.738 295 V HN 0.837 nan 8.190 nan 0.000 0.469 296 G N 0.576 109.396 108.800 0.033 0.000 2.615 296 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 296 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 296 G C 0.340 175.266 174.900 0.043 0.000 1.339 296 G CA 0.299 45.419 45.100 0.033 0.000 0.884 296 G HN 0.393 nan 8.290 nan 0.000 0.559 297 K N -0.245 120.177 120.400 0.037 0.000 2.367 297 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 297 K C 2.566 179.192 176.600 0.042 0.000 1.027 297 K CA 1.451 57.762 56.287 0.039 0.000 1.075 297 K CB -0.086 32.428 32.500 0.023 0.000 0.845 297 K HN 0.694 nan 8.250 nan 0.000 0.529 298 T N -0.695 113.885 114.554 0.045 0.000 2.837 298 T HA -0.018 4.332 4.350 -0.000 0.000 0.248 298 T C 1.136 175.873 174.700 0.061 0.000 1.033 298 T CA 0.750 62.880 62.100 0.050 0.000 1.150 298 T CB -0.526 68.372 68.868 0.051 0.000 0.865 298 T HN -0.050 nan 8.240 nan 0.000 0.425 299 V N 1.532 121.485 119.914 0.064 0.000 3.096 299 V HA 0.429 4.549 4.120 -0.000 0.000 0.306 299 V C 0.295 176.431 176.094 0.069 0.000 1.088 299 V CA -0.653 61.686 62.300 0.065 0.000 1.129 299 V CB 0.213 32.078 31.823 0.069 0.000 1.014 299 V HN 0.414 nan 8.190 nan 0.000 0.486 300 T N 4.861 119.445 114.554 0.049 0.000 2.889 300 T HA 0.566 4.916 4.350 -0.000 0.000 0.291 300 T C -0.111 174.629 174.700 0.068 0.000 0.995 300 T CA -0.229 61.900 62.100 0.049 0.000 1.092 300 T CB 0.716 69.572 68.868 -0.020 0.000 0.954 300 T HN 0.599 nan 8.240 nan 0.000 0.506 301 L N 3.026 124.320 121.223 0.119 0.000 2.343 301 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 301 L C 0.205 177.116 176.870 0.069 0.000 1.056 301 L CA -0.627 54.300 54.840 0.146 0.000 0.804 301 L CB 1.447 43.675 42.059 0.283 0.000 1.203 301 L HN 0.551 nan 8.230 nan 0.000 0.440 302 Q N 1.635 121.453 119.800 0.031 0.000 2.356 302 Q HA 0.684 5.024 4.340 -0.000 0.000 0.270 302 Q C -0.540 175.429 176.000 -0.052 0.000 1.058 302 Q CA -0.122 55.636 55.803 -0.075 0.000 0.802 302 Q CB 2.434 31.157 28.738 -0.025 0.000 1.303 302 Q HN 0.821 nan 8.270 nan 0.000 0.444 303 G N 2.440 111.170 108.800 -0.117 0.000 2.278 303 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.265 303 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.265 303 G C -1.265 173.712 174.900 0.129 0.000 1.329 303 G CA -0.042 45.057 45.100 -0.001 0.000 1.017 303 G HN 0.829 nan 8.290 nan 0.000 0.472 304 N N -0.501 118.394 118.700 0.325 0.000 2.475 304 N HA 0.289 5.029 4.740 -0.000 0.000 0.272 304 N C -0.161 175.493 175.510 0.240 0.000 1.482 304 N CA -0.245 52.975 53.050 0.284 0.000 0.863 304 N CB 0.397 39.120 38.487 0.394 0.000 1.400 304 N HN 0.780 nan 8.380 nan 0.000 0.489 305 L N 1.816 123.115 121.223 0.126 0.000 2.499 305 L HA 0.173 4.513 4.340 -0.000 0.000 0.273 305 L C 0.302 177.093 176.870 -0.132 0.000 1.195 305 L CA 0.184 55.031 54.840 0.011 0.000 0.882 305 L CB 0.216 42.215 42.059 -0.101 0.000 1.133 305 L HN 0.159 nan 8.230 nan 0.000 0.483 306 D N 7.236 127.537 120.400 -0.165 0.000 2.570 306 D HA -0.036 4.604 4.640 -0.000 0.000 0.243 306 D C -1.675 174.223 176.300 -0.669 0.000 1.171 306 D CA -1.168 52.467 54.000 -0.609 0.000 0.879 306 D CB 1.066 41.509 40.800 -0.595 0.000 1.143 306 D HN 0.380 nan 8.370 nan 0.000 0.511 307 P HA -0.119 nan 4.420 nan 0.000 0.218 307 P C 1.365 178.104 177.300 -0.936 0.000 1.148 307 P CA 0.687 63.250 63.100 -0.895 0.000 0.822 307 P CB 0.043 31.075 31.700 -1.113 0.000 0.784 308 C N -0.542 118.252 119.300 -0.844 0.000 2.419 308 C HA 0.058 4.518 4.460 -0.000 0.000 0.283 308 C C 2.873 177.609 174.990 -0.423 0.000 1.373 308 C CA 0.762 59.407 59.018 -0.623 0.000 1.781 308 C CB -1.926 25.692 27.740 -0.203 0.000 1.886 308 C HN 0.244 nan 8.230 nan 0.000 0.520 309 A N 0.646 123.235 122.820 -0.386 0.000 2.024 309 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 309 A C 1.966 179.424 177.584 -0.210 0.000 1.164 309 A CA 1.283 53.184 52.037 -0.227 0.000 0.643 309 A CB -0.556 18.322 19.000 -0.203 0.000 0.806 309 A HN 0.678 nan 8.150 nan 0.000 0.451 310 L N -1.852 119.144 121.223 -0.379 0.000 2.549 310 L HA -0.127 4.213 4.340 -0.000 0.000 0.229 310 L C 1.835 178.636 176.870 -0.114 0.000 1.158 310 L CA 0.675 55.350 54.840 -0.275 0.000 0.842 310 L CB -0.559 41.235 42.059 -0.441 0.000 0.952 310 L HN 0.546 nan 8.230 nan 0.000 0.452 311 Y N 0.265 120.514 120.300 -0.085 0.000 2.516 311 Y HA 0.096 4.646 4.550 -0.000 0.000 0.291 311 Y C 1.883 177.798 175.900 0.025 0.000 1.131 311 Y CA -0.450 57.607 58.100 -0.072 0.000 1.281 311 Y CB -0.012 38.400 38.460 -0.081 0.000 1.013 311 Y HN 0.166 nan 8.280 nan 0.000 0.554 312 A N 0.627 123.562 122.820 0.191 0.000 2.310 312 A HA 0.289 4.609 4.320 -0.000 0.000 0.260 312 A C 0.637 178.345 177.584 0.207 0.000 1.112 312 A CA -0.102 52.023 52.037 0.147 0.000 0.804 312 A CB -0.094 18.949 19.000 0.071 0.000 1.081 312 A HN 0.294 nan 8.150 nan 0.000 0.499 313 S N -0.780 114.991 115.700 0.119 0.000 2.600 313 S HA 0.133 4.603 4.470 -0.000 0.000 0.265 313 S C 0.640 175.181 174.600 -0.098 0.000 1.325 313 S CA 0.354 58.592 58.200 0.063 0.000 1.002 313 S CB 0.463 63.687 63.200 0.040 0.000 0.921 313 S HN 0.673 nan 8.310 nan 0.000 0.554 314 E N 0.633 120.684 120.200 -0.248 0.000 2.118 314 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 314 E C 1.935 178.478 176.600 -0.096 0.000 0.992 314 E CA 1.536 57.785 56.400 -0.251 0.000 0.804 314 E CB -0.169 29.380 29.700 -0.251 0.000 0.741 314 E HN 0.924 nan 8.360 nan 0.000 0.458 315 E N 1.271 121.441 120.200 -0.051 0.000 2.077 315 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 315 E C 1.765 178.371 176.600 0.009 0.000 0.989 315 E CA 1.227 57.621 56.400 -0.009 0.000 0.800 315 E CB 0.099 29.799 29.700 -0.000 0.000 0.746 315 E HN 0.240 nan 8.360 nan 0.000 0.452 316 E N 0.357 120.560 120.200 0.005 0.000 2.106 316 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 316 E C 2.165 178.778 176.600 0.022 0.000 0.984 316 E CA 1.265 57.675 56.400 0.016 0.000 0.806 316 E CB -0.076 29.636 29.700 0.021 0.000 0.750 316 E HN 0.384 nan 8.360 nan 0.000 0.458 317 I N 0.799 121.376 120.570 0.011 0.000 2.208 317 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 317 I C 2.538 178.700 176.117 0.073 0.000 1.097 317 I CA 1.256 62.573 61.300 0.029 0.000 1.363 317 I CB -0.646 37.354 38.000 0.001 0.000 1.051 317 I HN 0.199 nan 8.210 nan 0.000 0.413 318 G N 0.240 109.082 108.800 0.069 0.000 2.469 318 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 318 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 318 G C 1.554 176.557 174.900 0.172 0.000 1.150 318 G CA 0.656 45.848 45.100 0.153 0.000 0.763 318 G HN 0.454 nan 8.290 nan 0.000 0.561 319 Q N -0.251 119.595 119.800 0.077 0.000 2.123 319 Q HA 0.129 4.469 4.340 -0.000 0.000 0.199 319 Q C 2.637 178.642 176.000 0.009 0.000 0.966 319 Q CA 0.633 56.445 55.803 0.016 0.000 0.845 319 Q CB -0.213 28.530 28.738 0.008 0.000 0.907 319 Q HN 0.434 nan 8.270 nan 0.000 0.439 320 L N -0.067 121.179 121.223 0.038 0.000 2.093 320 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 320 L C 2.314 179.231 176.870 0.079 0.000 1.085 320 L CA 0.642 55.508 54.840 0.044 0.000 0.755 320 L CB -0.397 41.685 42.059 0.039 0.000 0.904 320 L HN 0.087 nan 8.230 nan 0.000 0.435 321 V N 0.251 120.239 119.914 0.123 0.000 2.343 321 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 321 V C 2.599 178.756 176.094 0.105 0.000 1.051 321 V CA 1.999 64.402 62.300 0.172 0.000 1.036 321 V CB -0.536 31.409 31.823 0.202 0.000 0.654 321 V HN 0.467 nan 8.190 nan 0.000 0.451 322 K N -0.061 120.319 120.400 -0.034 0.000 2.044 322 K HA -0.325 3.995 4.320 -0.000 0.000 0.210 322 K C 2.267 178.805 176.600 -0.104 0.000 1.049 322 K CA 2.294 58.420 56.287 -0.268 0.000 0.927 322 K CB -0.182 31.975 32.500 -0.572 0.000 0.713 322 K HN 0.402 nan 8.250 nan 0.000 0.443 323 Q N 0.857 120.623 119.800 -0.056 0.000 2.050 323 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 323 Q C 2.073 178.070 176.000 -0.005 0.000 0.980 323 Q CA 2.061 57.843 55.803 -0.034 0.000 0.840 323 Q CB -0.234 28.490 28.738 -0.024 0.000 0.898 323 Q HN 0.462 nan 8.270 nan 0.000 0.424 324 M N -0.884 118.749 119.600 0.055 0.000 2.080 324 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 324 M C 1.368 177.764 176.300 0.161 0.000 1.068 324 M CA 1.485 56.861 55.300 0.127 0.000 1.109 324 M CB -0.100 32.652 32.600 0.253 0.000 1.342 324 M HN 0.358 nan 8.290 nan 0.000 0.405 325 L N 0.731 122.050 121.223 0.160 0.000 2.083 325 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 325 L C 1.939 178.835 176.870 0.043 0.000 1.083 325 L CA 1.709 56.635 54.840 0.144 0.000 0.752 325 L CB -1.032 41.132 42.059 0.174 0.000 0.899 325 L HN 0.309 nan 8.230 nan 0.000 0.433 326 D N -0.543 119.857 120.400 0.001 0.000 2.144 326 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 326 D C 1.749 178.012 176.300 -0.063 0.000 0.984 326 D CA 1.093 55.073 54.000 -0.032 0.000 0.834 326 D CB -0.083 40.689 40.800 -0.046 0.000 0.955 326 D HN 0.301 nan 8.370 nan 0.000 0.465 327 D N -0.738 119.600 120.400 -0.105 0.000 2.149 327 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 327 D C 1.867 178.003 176.300 -0.274 0.000 0.972 327 D CA 0.446 54.325 54.000 -0.202 0.000 0.835 327 D CB -0.315 40.313 40.800 -0.288 0.000 0.966 327 D HN 0.224 nan 8.370 nan 0.000 0.476 328 F N 0.468 120.252 119.950 -0.277 0.000 2.234 328 F HA 0.165 4.692 4.527 -0.000 0.000 0.296 328 F C 1.711 177.348 175.800 -0.272 0.000 1.089 328 F CA 0.954 58.704 58.000 -0.417 0.000 1.343 328 F CB -0.025 38.322 39.000 -1.088 0.000 1.040 328 F HN 0.018 nan 8.300 nan 0.000 0.498 329 G N 0.053 108.838 108.800 -0.024 0.000 2.746 329 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.685 329 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.685 329 G C -2.187 172.701 174.900 -0.020 0.000 1.350 329 G CA -0.429 44.658 45.100 -0.022 0.000 0.837 329 G HN 0.046 nan 8.290 nan 0.000 0.564 330 P HA 0.038 nan 4.420 nan 0.000 0.231 330 P C 0.340 177.560 177.300 -0.134 0.000 1.168 330 P CA 0.945 63.958 63.100 -0.145 0.000 0.779 330 P CB 0.092 31.628 31.700 -0.275 0.000 0.844 331 H N 0.999 120.132 119.070 0.106 0.000 2.487 331 H HA 0.325 4.881 4.556 -0.000 0.000 0.333 331 H C 0.620 176.020 175.328 0.119 0.000 1.114 331 H CA -0.423 55.679 56.048 0.090 0.000 1.310 331 H CB 0.685 30.486 29.762 0.065 0.000 1.462 331 H HN -0.022 nan 8.280 nan 0.000 0.516 332 R N 0.434 121.062 120.500 0.214 0.000 3.267 332 R HA -0.244 4.096 4.340 -0.000 0.000 0.254 332 R C -1.276 175.137 176.300 0.188 0.000 0.993 332 R CA 0.469 56.661 56.100 0.153 0.000 0.670 332 R CB -1.911 28.476 30.300 0.145 0.000 1.125 332 R HN 0.529 nan 8.270 nan 0.000 0.434 333 Y N 0.181 120.462 120.300 -0.033 0.000 2.441 333 Y HA 0.562 5.112 4.550 -0.000 0.000 0.334 333 Y C -0.998 174.825 175.900 -0.129 0.000 1.061 333 Y CA -1.664 56.364 58.100 -0.119 0.000 1.032 333 Y CB 1.362 39.747 38.460 -0.125 0.000 1.266 333 Y HN 0.138 nan 8.280 nan 0.000 0.441 334 I N 5.691 125.877 120.570 -0.640 0.000 2.389 334 I HA 0.664 4.834 4.170 -0.000 0.000 0.288 334 I C -0.135 175.421 176.117 -0.935 0.000 0.999 334 I CA -1.040 59.902 61.300 -0.596 0.000 1.129 334 I CB 1.734 39.644 38.000 -0.149 0.000 1.288 334 I HN 0.820 nan 8.210 nan 0.000 0.444 335 A N 5.823 128.121 122.820 -0.870 0.000 2.388 335 A HA 0.607 4.927 4.320 -0.000 0.000 0.257 335 A C -0.239 177.186 177.584 -0.264 0.000 1.095 335 A CA 0.014 51.699 52.037 -0.588 0.000 0.791 335 A CB 0.529 19.312 19.000 -0.362 0.000 1.029 335 A HN 0.785 nan 8.150 nan 0.000 0.489 336 N N 0.492 119.110 118.700 -0.138 0.000 3.179 336 N HA 0.365 5.105 4.740 -0.000 0.000 0.250 336 N C -1.116 174.316 175.510 -0.129 0.000 1.507 336 N CA -0.582 52.333 53.050 -0.226 0.000 0.883 336 N CB 0.642 38.782 38.487 -0.579 0.000 1.435 336 N HN 0.486 nan 8.380 nan 0.000 0.532 337 L N 0.063 121.087 121.223 -0.332 0.000 2.475 337 L HA 0.377 4.716 4.340 -0.000 0.000 0.253 337 L C 1.878 178.652 176.870 -0.161 0.000 1.198 337 L CA -0.138 54.501 54.840 -0.336 0.000 0.814 337 L CB 0.393 42.159 42.059 -0.488 0.000 1.134 337 L HN 0.819 nan 8.230 nan 0.000 0.478 338 G N -1.986 106.826 108.800 0.019 0.000 2.813 338 G HA2 0.010 3.970 3.960 -0.000 0.000 0.209 338 G HA3 0.010 3.970 3.960 -0.000 0.000 0.209 338 G C 0.338 175.510 174.900 0.452 0.000 1.150 338 G CA 0.350 45.629 45.100 0.298 0.000 0.785 338 G HN 0.750 nan 8.290 nan 0.000 0.535 339 H N -2.798 116.339 119.070 0.111 0.000 2.917 339 H HA 0.423 4.979 4.556 -0.000 0.000 0.269 339 H C 0.035 175.318 175.328 -0.074 0.000 1.488 339 H CA -0.840 55.308 56.048 0.166 0.000 1.173 339 H CB 0.781 30.788 29.762 0.408 0.000 1.868 339 H HN 0.134 nan 8.280 nan 0.000 0.600 340 G N 0.938 109.668 108.800 -0.116 0.000 2.569 340 G HA2 0.356 4.316 3.960 -0.000 0.000 0.249 340 G HA3 0.356 4.316 3.960 -0.000 0.000 0.249 340 G C -0.391 174.344 174.900 -0.276 0.000 1.216 340 G CA -0.582 44.386 45.100 -0.220 0.000 0.845 340 G HN 0.442 nan 8.290 nan 0.000 0.568 341 L N 0.680 121.707 121.223 -0.327 0.000 2.525 341 L HA 0.066 4.406 4.340 -0.000 0.000 0.278 341 L C 0.144 176.946 176.870 -0.114 0.000 1.218 341 L CA 0.134 54.722 54.840 -0.420 0.000 0.878 341 L CB 0.184 41.889 42.059 -0.590 0.000 1.127 341 L HN 0.470 nan 8.230 nan 0.000 0.492 342 Y N 3.174 123.303 120.300 -0.284 0.000 2.307 342 Y HA 0.138 4.688 4.550 -0.000 0.000 0.324 342 Y C -1.185 174.674 175.900 -0.069 0.000 1.238 342 Y CA -2.174 55.831 58.100 -0.158 0.000 1.280 342 Y CB 0.676 39.062 38.460 -0.124 0.000 1.248 342 Y HN 0.517 nan 8.280 nan 0.000 0.508 343 P HA -0.166 nan 4.420 nan 0.000 0.222 343 P C 0.380 177.762 177.300 0.137 0.000 1.147 343 P CA 1.491 64.656 63.100 0.109 0.000 0.790 343 P CB 0.067 31.796 31.700 0.048 0.000 0.780 344 D N -2.293 118.203 120.400 0.160 0.000 2.342 344 D HA 0.021 4.661 4.640 -0.000 0.000 0.221 344 D C 0.532 176.945 176.300 0.188 0.000 1.101 344 D CA 0.014 54.110 54.000 0.160 0.000 0.837 344 D CB -0.671 40.216 40.800 0.144 0.000 0.938 344 D HN 0.147 nan 8.370 nan 0.000 0.508 345 M N 0.480 120.162 119.600 0.138 0.000 2.255 345 M HA 0.131 4.611 4.480 -0.000 0.000 0.336 345 M C 0.105 176.452 176.300 0.079 0.000 1.135 345 M CA -0.384 54.927 55.300 0.018 0.000 1.145 345 M CB 0.963 33.422 32.600 -0.236 0.000 1.473 345 M HN -0.199 nan 8.290 nan 0.000 0.462 346 D N 2.468 122.864 120.400 -0.007 0.000 2.280 346 D HA 0.221 4.861 4.640 -0.000 0.000 0.243 346 D C -1.929 174.487 176.300 0.192 0.000 1.129 346 D CA -2.025 52.005 54.000 0.050 0.000 0.848 346 D CB 1.502 42.210 40.800 -0.153 0.000 1.107 346 D HN 0.177 nan 8.370 nan 0.000 0.471 347 P HA -0.146 nan 4.420 nan 0.000 0.217 347 P C 0.947 178.505 177.300 0.430 0.000 1.148 347 P CA 0.940 64.336 63.100 0.494 0.000 0.828 347 P CB 0.418 32.366 31.700 0.414 0.000 0.783 348 E N -1.369 119.027 120.200 0.327 0.000 2.110 348 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 348 E C 2.021 178.757 176.600 0.227 0.000 0.988 348 E CA 1.138 57.713 56.400 0.291 0.000 0.804 348 E CB -0.877 28.975 29.700 0.254 0.000 0.745 348 E HN 0.561 nan 8.360 nan 0.000 0.458 349 H N -0.212 118.883 119.070 0.042 0.000 2.428 349 H HA -0.005 4.551 4.556 -0.000 0.000 0.296 349 H C 2.183 177.452 175.328 -0.098 0.000 1.062 349 H CA 0.846 56.879 56.048 -0.025 0.000 1.350 349 H CB 0.449 30.183 29.762 -0.046 0.000 1.403 349 H HN -0.020 nan 8.280 nan 0.000 0.533 350 V N 0.417 120.300 119.914 -0.051 0.000 2.343 350 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 350 V C 2.765 178.596 176.094 -0.439 0.000 1.051 350 V CA 1.786 63.892 62.300 -0.323 0.000 1.036 350 V CB -0.943 30.574 31.823 -0.509 0.000 0.654 350 V HN 0.531 nan 8.190 nan 0.000 0.451 351 G N -0.288 108.317 108.800 -0.324 0.000 2.442 351 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 351 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 351 G C 1.746 176.608 174.900 -0.063 0.000 1.141 351 G CA 1.074 46.120 45.100 -0.091 0.000 0.763 351 G HN 0.614 nan 8.290 nan 0.000 0.554 352 A N 0.284 123.075 122.820 -0.048 0.000 1.930 352 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 352 A C 2.130 179.681 177.584 -0.055 0.000 1.175 352 A CA 1.535 53.534 52.037 -0.063 0.000 0.627 352 A CB -0.484 18.452 19.000 -0.107 0.000 0.815 352 A HN 0.423 nan 8.150 nan 0.000 0.443 353 F N 0.794 120.625 119.950 -0.199 0.000 2.102 353 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 353 F C 2.191 177.857 175.800 -0.223 0.000 1.105 353 F CA 1.903 59.784 58.000 -0.199 0.000 1.239 353 F CB -0.547 38.304 39.000 -0.247 0.000 0.991 353 F HN 0.018 nan 8.300 nan 0.000 0.474 354 V N 0.805 120.457 119.914 -0.436 0.000 2.295 354 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 354 V C 2.184 177.943 176.094 -0.559 0.000 1.049 354 V CA 2.317 64.268 62.300 -0.582 0.000 1.024 354 V CB -0.769 30.846 31.823 -0.346 0.000 0.648 354 V HN 0.283 nan 8.190 nan 0.000 0.447 355 D N 0.323 120.547 120.400 -0.294 0.000 2.117 355 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 355 D C 2.188 178.356 176.300 -0.221 0.000 0.987 355 D CA 1.651 55.544 54.000 -0.178 0.000 0.829 355 D CB -0.328 40.419 40.800 -0.087 0.000 0.961 355 D HN 0.450 nan 8.370 nan 0.000 0.460 356 A N 0.466 123.131 122.820 -0.257 0.000 1.930 356 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 356 A C 2.507 179.956 177.584 -0.225 0.000 1.175 356 A CA 0.887 52.758 52.037 -0.276 0.000 0.627 356 A CB -0.600 18.332 19.000 -0.114 0.000 0.815 356 A HN 0.134 nan 8.150 nan 0.000 0.443 357 V N -0.367 119.361 119.914 -0.311 0.000 2.295 357 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 357 V C 2.304 178.388 176.094 -0.016 0.000 1.049 357 V CA 2.365 64.537 62.300 -0.214 0.000 1.024 357 V CB -1.094 30.460 31.823 -0.448 0.000 0.648 357 V HN 0.739 nan 8.190 nan 0.000 0.447 358 H N -0.379 118.622 119.070 -0.114 0.000 2.321 358 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 358 H C 2.469 177.740 175.328 -0.095 0.000 1.087 358 H CA 1.714 57.709 56.048 -0.088 0.000 1.319 358 H CB 0.102 29.761 29.762 -0.171 0.000 1.379 358 H HN 0.306 nan 8.280 nan 0.000 0.501 359 K N 0.234 120.623 120.400 -0.020 0.000 2.002 359 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 359 K C 1.918 178.485 176.600 -0.054 0.000 1.048 359 K CA 1.555 57.776 56.287 -0.109 0.000 0.930 359 K CB 0.026 32.381 32.500 -0.240 0.000 0.714 359 K HN 0.394 nan 8.250 nan 0.000 0.438 360 H N 0.070 119.156 119.070 0.028 0.000 2.423 360 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 360 H C 2.389 177.750 175.328 0.055 0.000 1.075 360 H CA 1.585 57.653 56.048 0.033 0.000 1.342 360 H CB -0.201 29.576 29.762 0.026 0.000 1.395 360 H HN 0.396 nan 8.280 nan 0.000 0.530 361 S N 0.652 116.466 115.700 0.190 0.000 2.406 361 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 361 S C 2.105 176.789 174.600 0.140 0.000 1.020 361 S CA 0.392 58.694 58.200 0.170 0.000 0.965 361 S CB -0.005 63.316 63.200 0.202 0.000 0.798 361 S HN 0.277 nan 8.310 nan 0.000 0.488 362 R N 0.864 121.439 120.500 0.126 0.000 2.092 362 R HA 0.183 4.523 4.340 -0.000 0.000 0.231 362 R C 2.228 178.571 176.300 0.072 0.000 1.119 362 R CA 1.384 57.538 56.100 0.091 0.000 0.970 362 R CB -0.596 29.732 30.300 0.047 0.000 0.864 362 R HN 0.410 nan 8.270 nan 0.000 0.440 363 L N 0.259 121.529 121.223 0.079 0.000 2.201 363 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 363 L C 1.983 178.891 176.870 0.063 0.000 1.105 363 L CA 0.439 55.322 54.840 0.072 0.000 0.775 363 L CB -0.186 41.932 42.059 0.098 0.000 0.913 363 L HN 0.161 nan 8.230 nan 0.000 0.440 364 L N -0.809 120.456 121.223 0.069 0.000 2.554 364 L HA -0.015 4.325 4.340 -0.000 0.000 0.226 364 L C 2.205 179.091 176.870 0.028 0.000 1.137 364 L CA 1.228 56.095 54.840 0.045 0.000 0.863 364 L CB -0.376 41.713 42.059 0.050 0.000 0.985 364 L HN 0.081 nan 8.230 nan 0.000 0.451 365 R N -2.375 118.148 120.500 0.039 0.000 2.125 365 R HA 0.178 4.518 4.340 -0.000 0.000 0.195 365 R C 0.759 177.080 176.300 0.036 0.000 1.138 365 R CA -0.379 55.741 56.100 0.033 0.000 1.123 365 R CB -0.097 30.231 30.300 0.047 0.000 1.049 365 R HN 0.158 nan 8.270 nan 0.000 0.503 366 Q N 0.000 119.824 119.800 0.040 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.823 55.803 0.034 0.000 1.022 366 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481