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 2yv9_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMAEAYQIQS NGDPQSKPLL ELYVKASGID ARRIGADLFC QEFWMELYAL DATA SEQUENCE YEIGVARVEV KTVNVNSEAF KKNFLGAQPP IMIEEEKELT YTDNREIEGR DATA SEQUENCE IFHLAKEFNV PLFEKDPSAE KRIENLYRNF KLFLRAKVEF DKGKKEPSRV DATA SEQUENCE EDLPAQIKVH YNRVCEQLSN IDQLLSERKS RYLLGNSMTE YDCELMPRLH DATA SEQUENCE HIRIIGLSLL GFDIPHNFTH LWAYILTAYR TAAFIESCPA DQDIIHHYKE DATA SEQUENCE QMNLFTNQRE TLQSPTKTHT IPEKVLSDIR VKGLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.507 177.584 -0.128 0.000 1.274 0 A CA 0.000 51.992 52.037 -0.074 0.000 0.836 0 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 1 M N 1.268 120.764 119.600 -0.174 0.000 2.067 1 M HA 0.105 4.585 4.480 -0.000 0.000 0.260 1 M C 2.153 178.176 176.300 -0.461 0.000 1.069 1 M CA 2.558 57.647 55.300 -0.351 0.000 1.117 1 M CB -0.391 32.019 32.600 -0.316 0.000 1.334 1 M HN 0.677 nan 8.290 nan 0.000 0.407 2 A N 0.013 122.712 122.820 -0.202 0.000 1.903 2 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 2 A C 1.977 179.557 177.584 -0.006 0.000 1.191 2 A CA 2.465 54.488 52.037 -0.023 0.000 0.638 2 A CB -1.154 17.860 19.000 0.023 0.000 0.823 2 A HN 0.737 nan 8.150 nan 0.000 0.451 3 E N -0.528 119.644 120.200 -0.047 0.000 2.072 3 E HA 0.002 4.351 4.350 -0.000 0.000 0.191 3 E C 2.329 178.915 176.600 -0.023 0.000 0.985 3 E CA 0.797 57.186 56.400 -0.019 0.000 0.801 3 E CB -0.330 29.354 29.700 -0.027 0.000 0.750 3 E HN 0.625 nan 8.360 nan 0.000 0.452 4 A N 0.864 123.626 122.820 -0.096 0.000 1.948 4 A HA -0.212 4.107 4.320 -0.000 0.000 0.220 4 A C 1.809 179.393 177.584 0.000 0.000 1.177 4 A CA 1.291 53.272 52.037 -0.093 0.000 0.636 4 A CB -1.002 17.883 19.000 -0.192 0.000 0.815 4 A HN 0.381 nan 8.150 nan 0.000 0.449 5 Y N -0.717 119.587 120.300 0.006 0.000 2.574 5 Y HA -0.116 4.434 4.550 -0.000 0.000 0.294 5 Y C 2.246 178.150 175.900 0.006 0.000 1.142 5 Y CA 0.854 58.958 58.100 0.006 0.000 1.314 5 Y CB 0.057 38.520 38.460 0.004 0.000 0.991 5 Y HN 0.458 nan 8.280 nan 0.000 0.555 6 Q N 0.618 120.507 119.800 0.148 0.000 2.247 6 Q HA 0.195 4.534 4.340 -0.000 0.000 0.211 6 Q C 0.009 176.044 176.000 0.059 0.000 0.861 6 Q CA -0.112 55.745 55.803 0.089 0.000 0.949 6 Q CB 0.663 29.442 28.738 0.068 0.000 1.115 6 Q HN 0.443 nan 8.270 nan 0.000 0.507 7 I N -0.915 119.690 120.570 0.058 0.000 2.433 7 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 7 I C 0.176 176.321 176.117 0.047 0.000 1.001 7 I CA -0.842 60.484 61.300 0.042 0.000 1.119 7 I CB 1.514 39.532 38.000 0.031 0.000 1.289 7 I HN -0.035 nan 8.210 nan 0.000 0.438 8 Q N 4.215 124.039 119.800 0.039 0.000 2.237 8 Q HA 0.147 4.487 4.340 -0.000 0.000 0.252 8 Q C -0.151 175.869 176.000 0.033 0.000 0.877 8 Q CA -0.374 55.451 55.803 0.036 0.000 1.011 8 Q CB -0.165 28.592 28.738 0.030 0.000 1.118 8 Q HN 0.827 nan 8.270 nan 0.000 0.458 9 S N 1.126 116.848 115.700 0.036 0.000 2.953 9 S HA -0.128 4.342 4.470 -0.000 0.000 0.348 9 S C 0.153 174.772 174.600 0.032 0.000 1.215 9 S CA -0.108 58.115 58.200 0.038 0.000 1.019 9 S CB -0.020 63.209 63.200 0.047 0.000 0.726 9 S HN 0.569 nan 8.310 nan 0.000 0.503 10 N N 1.983 120.701 118.700 0.030 0.000 2.508 10 N HA 0.395 5.135 4.740 -0.000 0.000 0.264 10 N C 0.516 176.036 175.510 0.017 0.000 1.216 10 N CA 0.562 53.625 53.050 0.023 0.000 0.943 10 N CB 0.520 39.020 38.487 0.022 0.000 1.113 10 N HN 0.843 nan 8.380 nan 0.000 0.447 11 G N 1.543 110.350 108.800 0.012 0.000 4.126 11 G HA2 0.129 4.089 3.960 -0.000 0.000 0.282 11 G HA3 0.129 4.089 3.960 -0.000 0.000 0.282 11 G C -0.879 174.022 174.900 0.001 0.000 1.221 11 G CA -0.295 44.807 45.100 0.004 0.000 1.527 11 G HN 0.638 nan 8.290 nan 0.000 0.612 12 D N 1.293 121.695 120.400 0.003 0.000 2.492 12 D HA 0.405 5.044 4.640 -0.000 0.000 0.248 12 D C -1.459 174.839 176.300 -0.003 0.000 1.101 12 D CA -2.257 51.744 54.000 0.002 0.000 0.840 12 D CB 2.691 43.496 40.800 0.008 0.000 1.209 12 D HN -0.037 nan 8.370 nan 0.000 0.524 13 P HA -0.160 nan 4.420 nan 0.000 0.217 13 P C 0.709 178.007 177.300 -0.003 0.000 1.148 13 P CA 1.127 64.220 63.100 -0.013 0.000 0.828 13 P CB 0.288 31.982 31.700 -0.010 0.000 0.783 14 Q N -1.134 118.670 119.800 0.005 0.000 2.515 14 Q HA -0.024 4.316 4.340 -0.000 0.000 0.212 14 Q C 2.155 178.166 176.000 0.017 0.000 0.970 14 Q CA 0.717 56.528 55.803 0.013 0.000 0.941 14 Q CB -0.845 27.901 28.738 0.014 0.000 0.998 14 Q HN 0.195 nan 8.270 nan 0.000 0.518 15 S N 0.458 116.167 115.700 0.015 0.000 2.357 15 S HA -0.071 4.399 4.470 -0.000 0.000 0.221 15 S C 0.750 175.371 174.600 0.034 0.000 1.031 15 S CA 0.326 58.541 58.200 0.026 0.000 0.982 15 S CB 0.054 63.269 63.200 0.025 0.000 0.853 15 S HN 0.308 nan 8.310 nan 0.000 0.458 16 K N 2.362 122.771 120.400 0.014 0.000 2.202 16 K HA 0.316 4.636 4.320 -0.000 0.000 0.264 16 K C -2.849 173.770 176.600 0.032 0.000 1.010 16 K CA -1.925 54.369 56.287 0.011 0.000 0.940 16 K CB -0.536 31.930 32.500 -0.057 0.000 0.983 16 K HN 0.138 nan 8.250 nan 0.000 0.475 17 P HA -0.041 nan 4.420 nan 0.000 0.266 17 P C -0.579 176.754 177.300 0.056 0.000 1.195 17 P CA -0.363 62.779 63.100 0.070 0.000 0.768 17 P CB 0.377 32.138 31.700 0.102 0.000 0.838 18 L N 4.527 125.784 121.223 0.057 0.000 2.265 18 L HA 0.379 4.719 4.340 -0.000 0.000 0.289 18 L C -0.955 175.952 176.870 0.062 0.000 1.033 18 L CA -0.243 54.626 54.840 0.048 0.000 0.814 18 L CB 0.101 42.182 42.059 0.037 0.000 1.203 18 L HN 0.203 nan 8.230 nan 0.000 0.423 19 L N 4.991 126.245 121.223 0.052 0.000 2.313 19 L HA 0.562 4.902 4.340 -0.000 0.000 0.283 19 L C -0.251 176.625 176.870 0.010 0.000 1.013 19 L CA -0.456 54.422 54.840 0.063 0.000 0.816 19 L CB 1.813 43.909 42.059 0.061 0.000 1.236 19 L HN 0.609 nan 8.230 nan 0.000 0.419 20 E N 3.864 124.080 120.200 0.026 0.000 2.145 20 E HA 0.360 4.709 4.350 -0.000 0.000 0.262 20 E C -1.603 174.958 176.600 -0.065 0.000 0.883 20 E CA -0.857 55.505 56.400 -0.064 0.000 0.748 20 E CB 1.806 31.491 29.700 -0.024 0.000 1.140 20 E HN 0.384 nan 8.360 nan 0.000 0.417 21 L N 5.618 126.720 121.223 -0.202 0.000 2.282 21 L HA 0.378 4.718 4.340 -0.000 0.000 0.288 21 L C -1.646 175.057 176.870 -0.279 0.000 1.033 21 L CA -0.356 54.393 54.840 -0.151 0.000 0.807 21 L CB 0.569 42.506 42.059 -0.204 0.000 1.209 21 L HN 0.484 nan 8.230 nan 0.000 0.423 22 Y N 4.620 124.853 120.300 -0.112 0.000 2.328 22 Y HA 0.566 5.115 4.550 -0.000 0.000 0.337 22 Y C 0.158 175.998 175.900 -0.099 0.000 1.008 22 Y CA -0.546 57.487 58.100 -0.112 0.000 1.129 22 Y CB 1.682 40.082 38.460 -0.099 0.000 1.185 22 Y HN 0.493 nan 8.280 nan 0.000 0.476 23 V N 0.870 120.782 119.914 -0.005 0.000 2.769 23 V HA 0.521 4.641 4.120 -0.000 0.000 0.312 23 V C -0.469 175.622 176.094 -0.005 0.000 1.061 23 V CA -1.676 60.637 62.300 0.021 0.000 0.931 23 V CB 1.789 33.630 31.823 0.031 0.000 1.010 23 V HN 0.723 nan 8.190 nan 0.000 0.433 24 K N 2.591 123.004 120.400 0.022 0.000 2.447 24 K HA 0.483 4.803 4.320 -0.000 0.000 0.281 24 K C 0.330 176.941 176.600 0.018 0.000 1.031 24 K CA 0.356 56.641 56.287 -0.005 0.000 1.019 24 K CB 0.682 33.219 32.500 0.061 0.000 0.918 24 K HN 1.166 nan 8.250 nan 0.000 0.476 25 A N 3.304 126.116 122.820 -0.014 0.000 2.332 25 A HA 0.133 4.453 4.320 -0.000 0.000 0.258 25 A C -0.012 177.594 177.584 0.036 0.000 1.087 25 A CA -0.261 51.781 52.037 0.007 0.000 0.802 25 A CB 0.772 19.762 19.000 -0.017 0.000 1.042 25 A HN 0.818 nan 8.150 nan 0.000 0.489 26 S N 0.121 115.841 115.700 0.033 0.000 2.552 26 S HA 0.253 4.723 4.470 -0.000 0.000 0.289 26 S C 1.341 175.951 174.600 0.017 0.000 1.304 26 S CA 0.146 58.367 58.200 0.035 0.000 1.063 26 S CB 0.380 63.574 63.200 -0.009 0.000 0.848 26 S HN 1.286 nan 8.310 nan 0.000 0.499 27 G N 3.795 112.631 108.800 0.059 0.000 2.920 27 G HA2 0.107 4.067 3.960 -0.000 0.000 0.208 27 G HA3 0.107 4.067 3.960 -0.000 0.000 0.208 27 G C 0.971 175.782 174.900 -0.148 0.000 1.159 27 G CA 0.164 45.293 45.100 0.048 0.000 0.784 27 G HN 0.757 nan 8.290 nan 0.000 0.535 28 I N -0.684 119.706 120.570 -0.299 0.000 2.685 28 I HA 0.150 4.320 4.170 -0.000 0.000 0.251 28 I C 0.081 176.107 176.117 -0.151 0.000 1.102 28 I CA 0.370 61.471 61.300 -0.332 0.000 1.442 28 I CB 0.504 38.268 38.000 -0.393 0.000 1.194 28 I HN -0.037 nan 8.210 nan 0.000 0.448 29 D N 0.492 120.828 120.400 -0.107 0.000 2.473 29 D HA 0.364 5.003 4.640 -0.000 0.000 0.253 29 D C 0.385 176.664 176.300 -0.036 0.000 1.233 29 D CA -0.336 53.629 54.000 -0.059 0.000 0.908 29 D CB 1.971 42.740 40.800 -0.052 0.000 1.170 29 D HN 0.148 nan 8.370 nan 0.000 0.558 30 A N 4.070 126.875 122.820 -0.024 0.000 2.216 30 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 30 A C 1.811 179.390 177.584 -0.008 0.000 1.160 30 A CA 0.788 52.817 52.037 -0.013 0.000 0.725 30 A CB -0.150 18.846 19.000 -0.008 0.000 0.784 30 A HN 0.594 nan 8.150 nan 0.000 0.472 31 R N -0.426 120.069 120.500 -0.008 0.000 2.236 31 R HA 0.062 4.401 4.340 -0.000 0.000 0.208 31 R C 0.299 176.600 176.300 0.002 0.000 1.036 31 R CA 0.309 56.406 56.100 -0.004 0.000 1.001 31 R CB 0.044 30.341 30.300 -0.005 0.000 0.896 31 R HN 0.399 nan 8.270 nan 0.000 0.464 32 R N 1.627 122.127 120.500 0.000 0.000 2.457 32 R HA 0.254 4.593 4.340 -0.000 0.000 0.284 32 R C 0.300 176.619 176.300 0.032 0.000 1.024 32 R CA -0.621 55.486 56.100 0.012 0.000 1.025 32 R CB 1.089 31.386 30.300 -0.004 0.000 1.063 32 R HN 0.079 nan 8.270 nan 0.000 0.493 33 I N -0.841 119.769 120.570 0.066 0.000 2.752 33 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 33 I C 0.662 176.824 176.117 0.076 0.000 1.188 33 I CA -0.078 61.288 61.300 0.109 0.000 1.427 33 I CB 0.530 38.672 38.000 0.238 0.000 1.365 33 I HN 0.557 nan 8.210 nan 0.000 0.585 34 G N 3.355 112.203 108.800 0.081 0.000 2.510 34 G HA2 0.563 4.523 3.960 -0.000 0.000 0.280 34 G HA3 0.563 4.523 3.960 -0.000 0.000 0.280 34 G C 0.184 175.107 174.900 0.038 0.000 1.386 34 G CA -0.414 44.727 45.100 0.069 0.000 1.047 34 G HN 0.997 nan 8.290 nan 0.000 0.527 35 A N -0.668 122.128 122.820 -0.040 0.000 2.630 35 A HA 0.324 4.644 4.320 -0.000 0.000 0.290 35 A C 0.483 177.877 177.584 -0.316 0.000 1.267 35 A CA -0.199 51.731 52.037 -0.179 0.000 0.950 35 A CB -0.248 18.556 19.000 -0.325 0.000 1.144 35 A HN 0.550 nan 8.150 nan 0.000 0.527 36 D N 0.560 120.889 120.400 -0.119 0.000 2.417 36 D HA 0.127 4.767 4.640 -0.000 0.000 0.250 36 D C 0.843 177.100 176.300 -0.071 0.000 1.166 36 D CA -0.026 53.961 54.000 -0.023 0.000 0.881 36 D CB 0.782 41.668 40.800 0.144 0.000 1.164 36 D HN 0.323 nan 8.370 nan 0.000 0.467 37 L N 3.677 124.759 121.223 -0.235 0.000 2.156 37 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 37 L C 1.966 178.519 176.870 -0.530 0.000 1.095 37 L CA 0.600 55.149 54.840 -0.486 0.000 0.770 37 L CB -0.240 41.360 42.059 -0.764 0.000 0.914 37 L HN 0.446 nan 8.230 nan 0.000 0.439 38 F N -1.206 118.710 119.950 -0.057 0.000 2.206 38 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 38 F C 2.601 178.381 175.800 -0.033 0.000 1.090 38 F CA 0.711 58.651 58.000 -0.100 0.000 1.323 38 F CB -1.274 37.742 39.000 0.026 0.000 1.028 38 F HN 0.084 nan 8.300 nan 0.000 0.492 39 C N -0.435 118.996 119.300 0.219 0.000 2.432 39 C HA -0.202 4.257 4.460 -0.000 0.000 0.277 39 C C 2.862 177.994 174.990 0.237 0.000 1.249 39 C CA 1.143 60.315 59.018 0.256 0.000 1.725 39 C CB -1.132 26.742 27.740 0.224 0.000 2.028 39 C HN 0.520 nan 8.230 nan 0.000 0.477 40 Q N 0.654 120.515 119.800 0.102 0.000 2.119 40 Q HA -0.217 4.123 4.340 -0.000 0.000 0.201 40 Q C 2.221 178.220 176.000 -0.000 0.000 0.972 40 Q CA 1.659 57.490 55.803 0.047 0.000 0.847 40 Q CB -0.182 28.505 28.738 -0.085 0.000 0.903 40 Q HN 0.759 nan 8.270 nan 0.000 0.433 41 E N -0.501 119.622 120.200 -0.129 0.000 2.033 41 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 41 E C 1.535 178.067 176.600 -0.113 0.000 1.011 41 E CA 1.615 57.881 56.400 -0.223 0.000 0.815 41 E CB -0.155 29.271 29.700 -0.457 0.000 0.755 41 E HN 0.362 nan 8.360 nan 0.000 0.451 42 F N -0.568 119.488 119.950 0.176 0.000 2.234 42 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 42 F C 2.090 178.034 175.800 0.240 0.000 1.087 42 F CA 0.614 58.726 58.000 0.186 0.000 1.340 42 F CB -0.828 38.272 39.000 0.166 0.000 1.031 42 F HN 0.304 nan 8.300 nan 0.000 0.500 43 W N 1.034 122.443 121.300 0.182 0.000 2.358 43 W HA -0.180 4.480 4.660 -0.000 0.000 0.303 43 W C 2.230 178.816 176.519 0.111 0.000 1.208 43 W CA 1.467 58.882 57.345 0.116 0.000 1.274 43 W CB -0.886 28.604 29.460 0.050 0.000 1.138 43 W HN 0.061 nan 8.180 nan 0.000 0.515 44 M N 0.264 120.014 119.600 0.250 0.000 2.108 44 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 44 M C 1.919 178.328 176.300 0.181 0.000 1.066 44 M CA 2.067 57.440 55.300 0.122 0.000 1.107 44 M CB -0.701 31.907 32.600 0.013 0.000 1.356 44 M HN -0.023 nan 8.290 nan 0.000 0.406 45 E N 0.510 120.818 120.200 0.180 0.000 2.051 45 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 45 E C 2.037 178.764 176.600 0.212 0.000 0.991 45 E CA 1.168 57.661 56.400 0.154 0.000 0.799 45 E CB -0.260 29.567 29.700 0.212 0.000 0.748 45 E HN 0.475 nan 8.360 nan 0.000 0.449 46 L N 0.007 121.393 121.223 0.273 0.000 2.079 46 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 46 L C 2.484 179.508 176.870 0.256 0.000 1.081 46 L CA 1.280 56.259 54.840 0.233 0.000 0.752 46 L CB -0.443 41.734 42.059 0.195 0.000 0.896 46 L HN 0.209 nan 8.230 nan 0.000 0.433 47 Y N 0.314 120.761 120.300 0.244 0.000 2.181 47 Y HA -0.291 4.259 4.550 -0.000 0.000 0.288 47 Y C 2.535 178.555 175.900 0.200 0.000 1.146 47 Y CA 1.333 59.583 58.100 0.248 0.000 1.164 47 Y CB -0.161 38.406 38.460 0.179 0.000 0.982 47 Y HN 0.139 nan 8.280 nan 0.000 0.515 48 A N 0.185 123.174 122.820 0.282 0.000 1.917 48 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 48 A C 2.209 179.831 177.584 0.063 0.000 1.182 48 A CA 2.126 54.246 52.037 0.140 0.000 0.633 48 A CB -1.117 17.910 19.000 0.045 0.000 0.819 48 A HN 0.549 nan 8.150 nan 0.000 0.448 49 L N -2.531 118.735 121.223 0.072 0.000 2.044 49 L HA -0.131 4.208 4.340 -0.000 0.000 0.205 49 L C 2.576 179.428 176.870 -0.030 0.000 1.075 49 L CA 1.593 56.445 54.840 0.019 0.000 0.747 49 L CB -0.881 41.210 42.059 0.053 0.000 0.903 49 L HN 0.548 nan 8.230 nan 0.000 0.435 50 Y N 2.065 122.285 120.300 -0.133 0.000 2.069 50 Y HA -0.381 4.169 4.550 -0.000 0.000 0.278 50 Y C 2.649 178.401 175.900 -0.246 0.000 1.175 50 Y CA 2.353 60.323 58.100 -0.217 0.000 1.134 50 Y CB -0.382 37.880 38.460 -0.330 0.000 0.965 50 Y HN 0.404 nan 8.280 nan 0.000 0.498 51 E N 0.406 120.392 120.200 -0.356 0.000 2.268 51 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 51 E C 1.708 178.147 176.600 -0.267 0.000 0.995 51 E CA 1.560 57.734 56.400 -0.376 0.000 0.836 51 E CB -0.790 28.870 29.700 -0.066 0.000 0.763 51 E HN 0.796 nan 8.360 nan 0.000 0.491 52 I N -3.124 117.322 120.570 -0.206 0.000 3.875 52 I HA 0.464 4.634 4.170 -0.000 0.000 0.329 52 I C 1.197 177.185 176.117 -0.215 0.000 1.295 52 I CA 0.226 61.425 61.300 -0.169 0.000 1.129 52 I CB 0.346 38.280 38.000 -0.109 0.000 1.008 52 I HN 0.136 nan 8.210 nan 0.000 0.413 53 G N 1.574 110.204 108.800 -0.283 0.000 2.143 53 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 53 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 53 G C 0.595 175.318 174.900 -0.296 0.000 0.991 53 G CA 0.394 45.331 45.100 -0.272 0.000 0.689 53 G HN 0.306 nan 8.290 nan 0.000 0.522 54 V N -0.497 119.220 119.914 -0.328 0.000 2.591 54 V HA 0.488 4.608 4.120 -0.000 0.000 0.249 54 V C 1.608 177.518 176.094 -0.306 0.000 1.053 54 V CA 2.329 64.322 62.300 -0.511 0.000 1.068 54 V CB 0.087 31.635 31.823 -0.457 0.000 0.689 54 V HN 1.487 nan 8.190 nan 0.000 0.462 55 A N -0.499 122.237 122.820 -0.141 0.000 2.539 55 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 55 A C -0.505 177.098 177.584 0.032 0.000 1.073 55 A CA -0.805 51.213 52.037 -0.031 0.000 0.700 55 A CB 1.258 20.274 19.000 0.027 0.000 1.296 55 A HN 0.272 nan 8.150 nan 0.000 0.405 56 R N 0.148 120.679 120.500 0.051 0.000 2.357 56 R HA 0.608 4.948 4.340 -0.000 0.000 0.296 56 R C -1.171 175.171 176.300 0.070 0.000 1.052 56 R CA -0.370 55.787 56.100 0.096 0.000 0.988 56 R CB 1.448 31.781 30.300 0.055 0.000 1.025 56 R HN 0.411 nan 8.270 nan 0.000 0.469 57 V N 2.341 122.282 119.914 0.045 0.000 2.686 57 V HA 0.296 4.415 4.120 -0.000 0.000 0.306 57 V C -0.569 175.428 176.094 -0.163 0.000 1.065 57 V CA -0.891 61.367 62.300 -0.071 0.000 0.894 57 V CB 2.110 33.870 31.823 -0.104 0.000 1.004 57 V HN 0.774 nan 8.190 nan 0.000 0.424 58 E N 2.379 122.474 120.200 -0.175 0.000 2.256 58 E HA 0.781 5.130 4.350 -0.000 0.000 0.267 58 E C -1.547 174.845 176.600 -0.346 0.000 0.892 58 E CA -0.781 55.485 56.400 -0.224 0.000 0.775 58 E CB 2.978 32.578 29.700 -0.167 0.000 1.207 58 E HN 0.425 nan 8.360 nan 0.000 0.420 59 V N 2.366 122.026 119.914 -0.423 0.000 2.656 59 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 59 V C -0.582 175.236 176.094 -0.461 0.000 1.051 59 V CA -0.815 61.124 62.300 -0.602 0.000 0.893 59 V CB 1.827 32.996 31.823 -1.090 0.000 0.999 59 V HN 0.571 nan 8.190 nan 0.000 0.426 60 K N 1.894 122.004 120.400 -0.483 0.000 2.427 60 K HA 0.628 4.947 4.320 -0.000 0.000 0.252 60 K C -0.470 175.994 176.600 -0.226 0.000 0.931 60 K CA -0.676 55.403 56.287 -0.346 0.000 0.793 60 K CB 2.468 34.700 32.500 -0.448 0.000 1.211 60 K HN 0.853 nan 8.250 nan 0.000 0.426 61 T N -1.325 113.162 114.554 -0.112 0.000 2.909 61 T HA 0.586 4.935 4.350 -0.000 0.000 0.286 61 T C -0.120 174.563 174.700 -0.028 0.000 1.002 61 T CA -0.615 61.452 62.100 -0.056 0.000 1.074 61 T CB 0.980 69.833 68.868 -0.025 0.000 0.984 61 T HN 0.176 nan 8.240 nan 0.000 0.495 62 V N 2.796 122.665 119.914 -0.075 0.000 2.841 62 V HA 0.457 4.577 4.120 -0.000 0.000 0.310 62 V C -0.397 175.574 176.094 -0.205 0.000 1.090 62 V CA -1.205 61.002 62.300 -0.155 0.000 0.930 62 V CB 2.150 33.759 31.823 -0.358 0.000 1.014 62 V HN 1.010 nan 8.190 nan 0.000 0.425 63 N N 2.566 121.179 118.700 -0.146 0.000 2.415 63 N HA 0.100 4.839 4.740 -0.000 0.000 0.246 63 N C 0.967 176.381 175.510 -0.159 0.000 1.078 63 N CA -0.049 52.941 53.050 -0.099 0.000 0.942 63 N CB 1.758 40.234 38.487 -0.019 0.000 1.140 63 N HN 0.649 nan 8.380 nan 0.000 0.501 64 V N 1.337 121.142 119.914 -0.182 0.000 3.026 64 V HA -0.063 4.057 4.120 -0.000 0.000 0.265 64 V C 1.122 177.296 176.094 0.132 0.000 1.121 64 V CA 1.237 63.472 62.300 -0.109 0.000 1.142 64 V CB -0.434 31.384 31.823 -0.008 0.000 0.730 64 V HN 0.514 nan 8.190 nan 0.000 0.503 65 N N 1.224 119.973 118.700 0.081 0.000 2.353 65 N HA 0.070 4.810 4.740 -0.000 0.000 0.185 65 N C 0.932 176.510 175.510 0.113 0.000 1.098 65 N CA 0.817 53.927 53.050 0.101 0.000 0.872 65 N CB 0.301 38.827 38.487 0.066 0.000 0.970 65 N HN 0.782 nan 8.380 nan 0.000 0.467 66 S N 0.470 116.248 115.700 0.130 0.000 2.549 66 S HA 0.026 4.496 4.470 -0.000 0.000 0.283 66 S C 1.254 175.948 174.600 0.157 0.000 1.320 66 S CA -0.470 57.810 58.200 0.134 0.000 1.058 66 S CB 1.867 65.151 63.200 0.140 0.000 0.882 66 S HN 0.262 nan 8.310 nan 0.000 0.498 67 E N 2.969 123.230 120.200 0.101 0.000 2.097 67 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 67 E C 2.052 178.695 176.600 0.071 0.000 1.000 67 E CA 1.448 57.892 56.400 0.074 0.000 0.804 67 E CB -0.559 29.168 29.700 0.045 0.000 0.740 67 E HN 0.924 nan 8.360 nan 0.000 0.454 68 A N 0.230 123.103 122.820 0.089 0.000 1.930 68 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 68 A C 1.943 179.585 177.584 0.095 0.000 1.175 68 A CA 1.137 53.215 52.037 0.068 0.000 0.627 68 A CB -0.723 18.324 19.000 0.080 0.000 0.815 68 A HN 0.509 nan 8.150 nan 0.000 0.443 69 F N 0.705 120.689 119.950 0.056 0.000 2.163 69 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 69 F C 2.066 177.942 175.800 0.126 0.000 1.094 69 F CA 1.745 59.823 58.000 0.129 0.000 1.290 69 F CB -0.157 38.926 39.000 0.138 0.000 1.017 69 F HN 0.102 nan 8.300 nan 0.000 0.483 70 K N 0.172 120.605 120.400 0.055 0.000 2.057 70 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 70 K C 2.206 178.729 176.600 -0.127 0.000 1.049 70 K CA 1.661 57.920 56.287 -0.047 0.000 0.931 70 K CB -0.229 32.299 32.500 0.047 0.000 0.714 70 K HN 0.229 nan 8.250 nan 0.000 0.440 71 K N 0.721 121.056 120.400 -0.108 0.000 2.076 71 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 71 K C 1.686 178.138 176.600 -0.248 0.000 1.051 71 K CA 0.988 57.193 56.287 -0.136 0.000 0.949 71 K CB 0.130 32.574 32.500 -0.092 0.000 0.726 71 K HN 0.023 nan 8.250 nan 0.000 0.443 72 N N 0.094 118.583 118.700 -0.352 0.000 2.223 72 N HA -0.127 4.612 4.740 -0.000 0.000 0.185 72 N C 0.621 175.521 175.510 -1.017 0.000 1.016 72 N CA 1.170 53.812 53.050 -0.679 0.000 0.863 72 N CB -0.003 38.003 38.487 -0.800 0.000 0.983 72 N HN 0.156 nan 8.380 nan 0.000 0.429 73 F N -0.267 119.422 119.950 -0.434 0.000 2.683 73 F HA 0.418 4.944 4.527 -0.000 0.000 0.306 73 F C 0.386 175.996 175.800 -0.316 0.000 1.102 73 F CA -0.438 57.305 58.000 -0.428 0.000 1.244 73 F CB -0.150 38.457 39.000 -0.655 0.000 1.029 73 F HN -0.229 nan 8.300 nan 0.000 0.545 74 L N 1.073 122.200 121.223 -0.160 0.000 3.833 74 L HA -0.326 4.013 4.340 -0.000 0.000 0.447 74 L C 1.344 178.177 176.870 -0.063 0.000 1.213 74 L CA 0.846 55.626 54.840 -0.100 0.000 0.801 74 L CB -1.861 40.150 42.059 -0.081 0.000 1.676 74 L HN 0.642 nan 8.230 nan 0.000 0.883 75 G N -2.067 106.689 108.800 -0.074 0.000 2.195 75 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.246 75 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.246 75 G C 0.461 175.365 174.900 0.006 0.000 0.984 75 G CA 0.078 45.168 45.100 -0.017 0.000 0.633 75 G HN 1.323 nan 8.290 nan 0.000 0.525 76 A N 0.075 122.880 122.820 -0.026 0.000 2.425 76 A HA 0.614 4.934 4.320 -0.000 0.000 0.242 76 A C 0.499 178.131 177.584 0.080 0.000 1.077 76 A CA 0.522 52.563 52.037 0.006 0.000 0.781 76 A CB 0.367 19.357 19.000 -0.016 0.000 1.020 76 A HN 0.364 nan 8.150 nan 0.000 0.494 77 Q N 0.444 120.325 119.800 0.135 0.000 2.301 77 Q HA 0.486 4.826 4.340 -0.000 0.000 0.267 77 Q C -2.564 173.552 176.000 0.192 0.000 1.035 77 Q CA -2.075 53.872 55.803 0.239 0.000 0.856 77 Q CB 0.954 29.791 28.738 0.166 0.000 1.337 77 Q HN 0.451 nan 8.270 nan 0.000 0.450 78 P HA 0.109 nan 4.420 nan 0.000 0.269 78 P C -2.386 175.018 177.300 0.174 0.000 1.215 78 P CA -0.850 62.331 63.100 0.135 0.000 0.780 78 P CB -0.278 31.462 31.700 0.066 0.000 0.898 79 P HA 0.285 nan 4.420 nan 0.000 0.275 79 P C -0.641 176.729 177.300 0.117 0.000 1.227 79 P CA 0.380 63.604 63.100 0.207 0.000 0.781 79 P CB 0.716 32.640 31.700 0.372 0.000 0.906 80 I N 2.634 123.247 120.570 0.071 0.000 2.582 80 I HA 0.444 4.614 4.170 -0.000 0.000 0.292 80 I C -0.037 176.135 176.117 0.092 0.000 1.066 80 I CA -0.815 60.477 61.300 -0.014 0.000 1.053 80 I CB 2.428 40.238 38.000 -0.316 0.000 1.241 80 I HN 0.231 nan 8.210 nan 0.000 0.421 81 M N 6.661 126.335 119.600 0.124 0.000 2.321 81 M HA 0.585 5.065 4.480 -0.000 0.000 0.315 81 M C -1.706 174.766 176.300 0.286 0.000 1.052 81 M CA -0.656 54.767 55.300 0.205 0.000 0.936 81 M CB 1.552 34.237 32.600 0.143 0.000 1.639 81 M HN 0.323 nan 8.290 nan 0.000 0.433 82 I N 3.545 124.271 120.570 0.259 0.000 2.404 82 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 82 I C -0.533 175.686 176.117 0.170 0.000 0.992 82 I CA -0.254 61.163 61.300 0.195 0.000 1.149 82 I CB 1.576 39.736 38.000 0.265 0.000 1.315 82 I HN 0.776 nan 8.210 nan 0.000 0.446 83 E N 4.673 124.931 120.200 0.096 0.000 2.683 83 E HA 0.195 4.545 4.350 -0.000 0.000 0.224 83 E C 0.647 177.270 176.600 0.038 0.000 1.046 83 E CA -0.067 56.400 56.400 0.110 0.000 0.811 83 E CB 0.734 30.559 29.700 0.208 0.000 1.296 83 E HN 0.607 nan 8.360 nan 0.000 0.421 84 E N 2.006 122.234 120.200 0.047 0.000 2.110 84 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 84 E C 0.855 177.465 176.600 0.016 0.000 0.988 84 E CA 1.150 57.566 56.400 0.027 0.000 0.804 84 E CB 0.333 30.057 29.700 0.041 0.000 0.745 84 E HN 0.556 nan 8.360 nan 0.000 0.458 85 E N 0.101 120.318 120.200 0.027 0.000 2.268 85 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 85 E C 1.325 177.934 176.600 0.016 0.000 0.995 85 E CA 0.734 57.148 56.400 0.023 0.000 0.836 85 E CB 0.089 29.808 29.700 0.032 0.000 0.763 85 E HN 0.120 nan 8.360 nan 0.000 0.491 86 K N 0.548 120.957 120.400 0.015 0.000 2.387 86 K HA 0.051 4.371 4.320 -0.000 0.000 0.198 86 K C -0.356 176.226 176.600 -0.030 0.000 1.022 86 K CA 0.058 56.345 56.287 0.000 0.000 1.128 86 K CB 0.437 32.946 32.500 0.015 0.000 0.853 86 K HN 0.052 nan 8.250 nan 0.000 0.523 87 E N 0.837 121.017 120.200 -0.034 0.000 2.476 87 E HA -0.226 4.124 4.350 -0.000 0.000 0.251 87 E C -0.717 175.821 176.600 -0.103 0.000 1.130 87 E CA 0.453 56.821 56.400 -0.054 0.000 0.736 87 E CB -1.711 27.961 29.700 -0.047 0.000 1.298 87 E HN 0.359 nan 8.360 nan 0.000 0.400 88 L N 0.214 121.345 121.223 -0.153 0.000 2.334 88 L HA 0.503 4.843 4.340 -0.000 0.000 0.276 88 L C 0.299 176.923 176.870 -0.410 0.000 1.014 88 L CA -0.604 54.038 54.840 -0.331 0.000 0.815 88 L CB 2.054 43.828 42.059 -0.475 0.000 1.268 88 L HN -0.130 nan 8.230 nan 0.000 0.428 89 T N 1.149 115.433 114.554 -0.449 0.000 2.890 89 T HA 0.445 4.795 4.350 -0.000 0.000 0.295 89 T C -1.107 173.380 174.700 -0.355 0.000 0.993 89 T CA -0.412 61.512 62.100 -0.293 0.000 0.979 89 T CB 0.544 69.374 68.868 -0.062 0.000 0.967 89 T HN 0.145 nan 8.240 nan 0.000 0.441 90 Y N 2.024 122.322 120.300 -0.003 0.000 2.504 90 Y HA 0.333 4.883 4.550 -0.000 0.000 0.339 90 Y C 1.838 177.705 175.900 -0.054 0.000 0.974 90 Y CA -1.040 57.036 58.100 -0.040 0.000 1.232 90 Y CB 0.571 38.989 38.460 -0.070 0.000 1.108 90 Y HN 0.734 nan 8.280 nan 0.000 0.509 91 T N -2.903 111.689 114.554 0.064 0.000 3.037 91 T HA 0.028 4.378 4.350 -0.000 0.000 0.251 91 T C 0.195 174.907 174.700 0.019 0.000 1.079 91 T CA 0.046 62.156 62.100 0.015 0.000 1.067 91 T CB 0.278 69.150 68.868 0.006 0.000 0.948 91 T HN 0.487 nan 8.240 nan 0.000 0.496 92 D N 0.808 121.224 120.400 0.027 0.000 2.168 92 D HA 0.258 4.898 4.640 -0.000 0.000 0.246 92 D C 0.194 176.492 176.300 -0.004 0.000 1.050 92 D CA -0.469 53.538 54.000 0.013 0.000 0.857 92 D CB 1.543 42.350 40.800 0.012 0.000 1.169 92 D HN -0.147 nan 8.370 nan 0.000 0.453 93 N N 2.586 121.295 118.700 0.016 0.000 2.272 93 N HA -0.115 4.624 4.740 -0.000 0.000 0.185 93 N C 1.562 177.086 175.510 0.023 0.000 1.014 93 N CA 0.883 53.970 53.050 0.063 0.000 0.870 93 N CB -0.021 38.585 38.487 0.198 0.000 0.975 93 N HN 0.462 nan 8.380 nan 0.000 0.433 94 R N 0.838 121.343 120.500 0.009 0.000 2.081 94 R HA -0.050 4.289 4.340 -0.000 0.000 0.235 94 R C 1.907 178.167 176.300 -0.067 0.000 1.131 94 R CA 1.193 57.283 56.100 -0.016 0.000 0.960 94 R CB -0.158 30.131 30.300 -0.018 0.000 0.856 94 R HN 0.431 nan 8.270 nan 0.000 0.436 95 E N 0.505 120.674 120.200 -0.051 0.000 2.077 95 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 95 E C 2.026 178.494 176.600 -0.220 0.000 0.989 95 E CA 1.161 57.539 56.400 -0.037 0.000 0.800 95 E CB -0.102 29.669 29.700 0.118 0.000 0.746 95 E HN 0.321 nan 8.360 nan 0.000 0.452 96 I N 1.070 121.465 120.570 -0.291 0.000 2.202 96 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 96 I C 2.678 178.489 176.117 -0.509 0.000 1.091 96 I CA 1.201 62.177 61.300 -0.540 0.000 1.368 96 I CB -0.236 37.292 38.000 -0.788 0.000 1.058 96 I HN 0.122 nan 8.210 nan 0.000 0.410 97 E N 1.134 121.107 120.200 -0.378 0.000 2.077 97 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 97 E C 2.286 178.809 176.600 -0.129 0.000 0.989 97 E CA 1.358 57.726 56.400 -0.054 0.000 0.800 97 E CB -0.235 29.555 29.700 0.150 0.000 0.746 97 E HN 0.514 nan 8.360 nan 0.000 0.452 98 G N 0.973 109.665 108.800 -0.180 0.000 2.440 98 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 98 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 98 G C 1.736 176.578 174.900 -0.097 0.000 1.154 98 G CA 1.016 46.015 45.100 -0.168 0.000 0.767 98 G HN 0.160 nan 8.290 nan 0.000 0.552 99 R N 0.664 121.025 120.500 -0.231 0.000 2.075 99 R HA 0.134 4.474 4.340 -0.000 0.000 0.232 99 R C 2.505 178.778 176.300 -0.045 0.000 1.126 99 R CA 1.074 57.030 56.100 -0.239 0.000 0.963 99 R CB -0.669 29.210 30.300 -0.701 0.000 0.858 99 R HN 0.453 nan 8.270 nan 0.000 0.435 100 I N -0.239 120.312 120.570 -0.032 0.000 2.315 100 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 100 I C 2.012 178.255 176.117 0.210 0.000 1.117 100 I CA 1.128 62.516 61.300 0.147 0.000 1.404 100 I CB -0.378 37.782 38.000 0.266 0.000 1.071 100 I HN 0.113 nan 8.210 nan 0.000 0.419 101 F N 1.324 121.145 119.950 -0.216 0.000 2.126 101 F HA -0.308 4.219 4.527 -0.000 0.000 0.299 101 F C 2.763 178.486 175.800 -0.129 0.000 1.096 101 F CA 1.943 59.637 58.000 -0.510 0.000 1.255 101 F CB -0.405 38.144 39.000 -0.751 0.000 0.997 101 F HN 0.130 nan 8.300 nan 0.000 0.479 102 H N 0.693 119.844 119.070 0.135 0.000 2.293 102 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 102 H C 2.311 177.651 175.328 0.020 0.000 1.082 102 H CA 2.383 58.485 56.048 0.090 0.000 1.308 102 H CB -0.554 29.250 29.762 0.070 0.000 1.375 102 H HN 0.366 nan 8.280 nan 0.000 0.495 103 L N 0.377 121.732 121.223 0.220 0.000 2.017 103 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 103 L C 3.187 180.171 176.870 0.190 0.000 1.073 103 L CA 1.125 56.116 54.840 0.252 0.000 0.745 103 L CB -0.653 41.573 42.059 0.278 0.000 0.894 103 L HN 0.304 nan 8.230 nan 0.000 0.432 104 A N 0.178 123.073 122.820 0.125 0.000 1.892 104 A HA -0.316 4.003 4.320 -0.000 0.000 0.218 104 A C 2.296 179.855 177.584 -0.041 0.000 1.188 104 A CA 2.386 54.474 52.037 0.087 0.000 0.631 104 A CB -0.502 18.598 19.000 0.166 0.000 0.822 104 A HN 0.281 nan 8.150 nan 0.000 0.447 105 K N -0.005 120.266 120.400 -0.215 0.000 2.026 105 K HA -0.154 4.165 4.320 -0.000 0.000 0.208 105 K C 2.017 178.471 176.600 -0.242 0.000 1.048 105 K CA 1.930 58.050 56.287 -0.278 0.000 0.929 105 K CB -0.305 31.961 32.500 -0.389 0.000 0.713 105 K HN 0.601 nan 8.250 nan 0.000 0.439 106 E N -1.208 118.800 120.200 -0.320 0.000 2.153 106 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 106 E C 0.338 176.599 176.600 -0.565 0.000 0.988 106 E CA 0.985 57.100 56.400 -0.475 0.000 0.811 106 E CB 0.018 29.380 29.700 -0.563 0.000 0.746 106 E HN 0.347 nan 8.360 nan 0.000 0.466 107 F N 0.433 120.337 119.950 -0.076 0.000 2.684 107 F HA 0.281 4.807 4.527 -0.000 0.000 0.298 107 F C 0.536 176.303 175.800 -0.055 0.000 1.120 107 F CA -0.032 57.937 58.000 -0.051 0.000 1.332 107 F CB -0.242 38.739 39.000 -0.031 0.000 0.986 107 F HN -0.016 nan 8.300 nan 0.000 0.524 108 N N 0.757 119.470 118.700 0.021 0.000 2.725 108 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 108 N C -1.000 174.516 175.510 0.010 0.000 1.103 108 N CA -0.166 52.883 53.050 -0.003 0.000 0.707 108 N CB -0.553 37.935 38.487 0.003 0.000 1.043 108 N HN -0.003 nan 8.380 nan 0.000 0.553 109 V N 1.941 121.866 119.914 0.018 0.000 2.407 109 V HA 0.316 4.436 4.120 -0.000 0.000 0.278 109 V C -1.321 174.759 176.094 -0.023 0.000 1.037 109 V CA -0.911 61.393 62.300 0.006 0.000 0.900 109 V CB 1.436 33.275 31.823 0.027 0.000 0.983 109 V HN 0.115 nan 8.190 nan 0.000 0.459 110 P HA 0.092 nan 4.420 nan 0.000 0.226 110 P C 0.572 177.825 177.300 -0.079 0.000 1.758 110 P CA -0.082 62.993 63.100 -0.040 0.000 0.896 110 P CB 0.600 32.282 31.700 -0.029 0.000 1.784 111 L N -0.513 120.644 121.223 -0.110 0.000 2.341 111 L HA 0.305 4.645 4.340 -0.000 0.000 0.214 111 L C 0.138 176.709 176.870 -0.498 0.000 1.115 111 L CA 1.090 55.749 54.840 -0.301 0.000 0.820 111 L CB -0.314 41.542 42.059 -0.338 0.000 0.944 111 L HN -0.163 nan 8.230 nan 0.000 0.452 112 F N 0.214 120.118 119.950 -0.078 0.000 2.507 112 F HA 0.598 5.125 4.527 -0.000 0.000 0.325 112 F C 0.226 176.033 175.800 0.011 0.000 1.116 112 F CA -0.740 57.242 58.000 -0.031 0.000 0.930 112 F CB 1.467 40.497 39.000 0.050 0.000 1.146 112 F HN -0.171 nan 8.300 nan 0.000 0.447 113 E N 1.934 122.256 120.200 0.203 0.000 2.429 113 E HA 0.429 4.779 4.350 -0.000 0.000 0.276 113 E C -1.207 175.582 176.600 0.314 0.000 0.953 113 E CA -1.098 55.441 56.400 0.232 0.000 0.787 113 E CB 2.556 32.383 29.700 0.212 0.000 1.307 113 E HN 0.264 nan 8.360 nan 0.000 0.458 114 K N 1.599 122.179 120.400 0.299 0.000 2.274 114 K HA 0.426 4.746 4.320 -0.000 0.000 0.262 114 K C -1.213 175.535 176.600 0.248 0.000 0.961 114 K CA -0.541 55.937 56.287 0.319 0.000 0.833 114 K CB 1.235 33.857 32.500 0.204 0.000 1.102 114 K HN 0.378 nan 8.250 nan 0.000 0.436 115 D N 4.291 124.814 120.400 0.204 0.000 2.470 115 D HA 0.174 4.814 4.640 -0.000 0.000 0.233 115 D C -2.029 174.187 176.300 -0.139 0.000 1.372 115 D CA -1.575 52.399 54.000 -0.043 0.000 0.994 115 D CB 1.825 42.516 40.800 -0.180 0.000 1.377 115 D HN 0.101 nan 8.370 nan 0.000 0.586 116 P HA -0.063 nan 4.420 nan 0.000 0.227 116 P C 1.381 178.624 177.300 -0.095 0.000 1.161 116 P CA 0.372 63.441 63.100 -0.050 0.000 0.788 116 P CB 0.536 32.229 31.700 -0.010 0.000 0.822 117 S N 0.597 116.226 115.700 -0.119 0.000 2.353 117 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 117 S C 2.126 176.615 174.600 -0.186 0.000 1.035 117 S CA 1.644 59.766 58.200 -0.131 0.000 1.025 117 S CB -1.040 62.086 63.200 -0.124 0.000 0.902 117 S HN 0.135 nan 8.310 nan 0.000 0.440 118 A N 1.231 123.869 122.820 -0.303 0.000 1.873 118 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 118 A C 2.128 179.517 177.584 -0.326 0.000 1.186 118 A CA 1.813 53.604 52.037 -0.409 0.000 0.616 118 A CB -1.120 17.417 19.000 -0.772 0.000 0.823 118 A HN 0.801 nan 8.150 nan 0.000 0.442 119 E N 0.147 120.154 120.200 -0.322 0.000 2.033 119 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 119 E C 1.965 178.548 176.600 -0.029 0.000 1.011 119 E CA 1.879 58.236 56.400 -0.073 0.000 0.815 119 E CB -0.188 29.523 29.700 0.019 0.000 0.755 119 E HN 0.619 nan 8.360 nan 0.000 0.451 120 K N -0.247 120.124 120.400 -0.047 0.000 2.097 120 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 120 K C 2.397 178.980 176.600 -0.028 0.000 1.049 120 K CA 1.014 57.288 56.287 -0.022 0.000 0.933 120 K CB -0.033 32.448 32.500 -0.031 0.000 0.717 120 K HN 0.056 nan 8.250 nan 0.000 0.442 121 R N 0.769 121.229 120.500 -0.066 0.000 2.066 121 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 121 R C 2.297 178.574 176.300 -0.038 0.000 1.131 121 R CA 1.134 57.191 56.100 -0.072 0.000 0.955 121 R CB -0.590 29.637 30.300 -0.121 0.000 0.851 121 R HN 0.257 nan 8.270 nan 0.000 0.432 122 I N 1.032 121.583 120.570 -0.032 0.000 2.142 122 I HA -0.261 3.908 4.170 -0.000 0.000 0.240 122 I C 2.748 178.907 176.117 0.071 0.000 1.078 122 I CA 1.322 62.628 61.300 0.010 0.000 1.343 122 I CB -0.367 37.647 38.000 0.024 0.000 1.046 122 I HN 0.181 nan 8.210 nan 0.000 0.405 123 E N 1.327 121.574 120.200 0.080 0.000 2.077 123 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 123 E C 1.863 178.540 176.600 0.127 0.000 0.989 123 E CA 1.492 57.967 56.400 0.125 0.000 0.800 123 E CB -0.312 29.450 29.700 0.103 0.000 0.746 123 E HN 0.370 nan 8.360 nan 0.000 0.452 124 N N 0.768 119.513 118.700 0.076 0.000 2.188 124 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 124 N C 2.104 177.663 175.510 0.082 0.000 1.018 124 N CA 0.796 53.884 53.050 0.063 0.000 0.858 124 N CB -0.392 38.109 38.487 0.022 0.000 0.989 124 N HN 0.210 nan 8.380 nan 0.000 0.426 125 L N 0.082 121.353 121.223 0.081 0.000 1.994 125 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 125 L C 2.124 179.121 176.870 0.212 0.000 1.071 125 L CA 1.754 56.655 54.840 0.103 0.000 0.745 125 L CB -1.271 40.827 42.059 0.065 0.000 0.892 125 L HN 0.166 nan 8.230 nan 0.000 0.431 126 Y N 0.288 120.652 120.300 0.106 0.000 2.314 126 Y HA -0.161 4.389 4.550 -0.000 0.000 0.293 126 Y C 2.863 178.908 175.900 0.243 0.000 1.129 126 Y CA 1.827 60.044 58.100 0.195 0.000 1.201 126 Y CB -0.260 38.288 38.460 0.147 0.000 0.999 126 Y HN 0.275 nan 8.280 nan 0.000 0.541 127 R N 0.245 120.858 120.500 0.188 0.000 2.083 127 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 127 R C 1.714 178.047 176.300 0.054 0.000 1.137 127 R CA 2.289 58.444 56.100 0.092 0.000 0.951 127 R CB -0.491 29.871 30.300 0.104 0.000 0.851 127 R HN 0.424 nan 8.270 nan 0.000 0.434 128 N N -0.517 118.240 118.700 0.095 0.000 2.244 128 N HA -0.141 4.598 4.740 -0.000 0.000 0.183 128 N C 1.429 177.025 175.510 0.143 0.000 1.016 128 N CA 1.158 54.268 53.050 0.100 0.000 0.866 128 N CB -0.211 38.329 38.487 0.089 0.000 0.980 128 N HN 0.157 nan 8.380 nan 0.000 0.430 129 F N 2.242 122.201 119.950 0.016 0.000 2.069 129 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 129 F C 1.867 177.652 175.800 -0.025 0.000 1.113 129 F CA 1.519 59.550 58.000 0.050 0.000 1.214 129 F CB -0.140 38.866 39.000 0.010 0.000 0.978 129 F HN -0.143 nan 8.300 nan 0.000 0.474 130 K N 0.293 120.516 120.400 -0.295 0.000 2.057 130 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 130 K C 2.155 178.585 176.600 -0.282 0.000 1.049 130 K CA 1.870 57.925 56.287 -0.387 0.000 0.931 130 K CB -0.513 31.840 32.500 -0.244 0.000 0.714 130 K HN 0.357 nan 8.250 nan 0.000 0.440 131 L N -0.078 121.025 121.223 -0.200 0.000 2.012 131 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 131 L C 2.435 179.102 176.870 -0.339 0.000 1.073 131 L CA 1.143 55.795 54.840 -0.313 0.000 0.748 131 L CB -0.461 41.368 42.059 -0.382 0.000 0.891 131 L HN 0.126 nan 8.230 nan 0.000 0.431 132 F N 0.480 120.259 119.950 -0.285 0.000 2.146 132 F HA -0.191 4.335 4.527 -0.000 0.000 0.298 132 F C 2.185 177.895 175.800 -0.150 0.000 1.096 132 F CA 1.225 59.157 58.000 -0.114 0.000 1.275 132 F CB -0.356 38.662 39.000 0.030 0.000 1.008 132 F HN -0.075 nan 8.300 nan 0.000 0.480 133 L N 0.928 121.890 121.223 -0.434 0.000 1.989 133 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 133 L C 2.576 179.234 176.870 -0.353 0.000 1.071 133 L CA 2.304 56.831 54.840 -0.520 0.000 0.749 133 L CB -0.969 40.685 42.059 -0.674 0.000 0.890 133 L HN 0.144 nan 8.230 nan 0.000 0.431 134 R N 0.096 120.433 120.500 -0.272 0.000 2.075 134 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 134 R C 2.126 178.341 176.300 -0.141 0.000 1.126 134 R CA 1.757 57.754 56.100 -0.172 0.000 0.963 134 R CB -0.994 29.222 30.300 -0.140 0.000 0.858 134 R HN 0.511 nan 8.270 nan 0.000 0.435 135 A N 0.641 123.365 122.820 -0.159 0.000 1.902 135 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 135 A C 2.159 179.724 177.584 -0.031 0.000 1.181 135 A CA 1.686 53.698 52.037 -0.041 0.000 0.623 135 A CB -0.540 18.508 19.000 0.081 0.000 0.818 135 A HN 0.397 nan 8.150 nan 0.000 0.443 136 K N -0.379 119.894 120.400 -0.213 0.000 2.103 136 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 136 K C 1.853 178.425 176.600 -0.047 0.000 1.052 136 K CA 1.217 57.397 56.287 -0.179 0.000 0.945 136 K CB -0.187 31.991 32.500 -0.535 0.000 0.722 136 K HN 0.238 nan 8.250 nan 0.000 0.443 137 V N 2.123 121.968 119.914 -0.115 0.000 2.332 137 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 137 V C 2.162 178.251 176.094 -0.008 0.000 1.055 137 V CA 1.801 64.067 62.300 -0.057 0.000 1.038 137 V CB -0.321 31.457 31.823 -0.074 0.000 0.651 137 V HN 0.359 nan 8.190 nan 0.000 0.450 138 E N -0.802 119.404 120.200 0.010 0.000 2.152 138 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 138 E C 2.019 178.665 176.600 0.076 0.000 0.983 138 E CA 1.035 57.455 56.400 0.033 0.000 0.818 138 E CB -0.301 29.421 29.700 0.038 0.000 0.758 138 E HN 0.630 nan 8.360 nan 0.000 0.467 139 F N 2.428 122.360 119.950 -0.031 0.000 2.234 139 F HA -0.132 4.395 4.527 0.000 0.000 0.299 139 F C 1.384 177.175 175.800 -0.016 0.000 1.087 139 F CA 1.226 59.218 58.000 -0.014 0.000 1.340 139 F CB 0.211 39.208 39.000 -0.004 0.000 1.031 139 F HN -0.143 nan 8.300 nan 0.000 0.500 140 D N 0.240 120.630 120.400 -0.017 0.000 2.340 140 D HA -0.023 4.617 4.640 -0.000 0.000 0.220 140 D C 0.611 176.853 176.300 -0.097 0.000 1.039 140 D CA 0.221 54.170 54.000 -0.085 0.000 0.866 140 D CB -0.274 40.530 40.800 0.007 0.000 0.913 140 D HN 0.203 nan 8.370 nan 0.000 0.523 141 K N 0.361 120.710 120.400 -0.084 0.000 2.472 141 K HA 0.184 4.503 4.320 -0.000 0.000 0.280 141 K C 0.928 177.474 176.600 -0.091 0.000 1.028 141 K CA 0.798 57.045 56.287 -0.065 0.000 1.045 141 K CB 0.229 32.702 32.500 -0.045 0.000 0.902 141 K HN 0.162 nan 8.250 nan 0.000 0.478 142 G N 3.240 111.998 108.800 -0.070 0.000 2.136 142 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 142 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 142 G C -0.535 174.317 174.900 -0.080 0.000 0.989 142 G CA 0.162 45.219 45.100 -0.072 0.000 0.682 142 G HN 0.573 nan 8.290 nan 0.000 0.522 143 K N -0.203 120.150 120.400 -0.078 0.000 2.324 143 K HA 0.447 4.766 4.320 -0.000 0.000 0.253 143 K C 1.317 177.892 176.600 -0.041 0.000 0.932 143 K CA -0.496 55.749 56.287 -0.070 0.000 0.799 143 K CB 1.618 34.063 32.500 -0.091 0.000 1.154 143 K HN 0.216 nan 8.250 nan 0.000 0.425 144 K N 0.360 120.743 120.400 -0.030 0.000 2.098 144 K HA -0.023 4.296 4.320 -0.000 0.000 0.203 144 K C 0.434 177.032 176.600 -0.005 0.000 1.051 144 K CA 0.850 57.128 56.287 -0.015 0.000 0.957 144 K CB 0.109 32.601 32.500 -0.013 0.000 0.738 144 K HN 0.310 nan 8.250 nan 0.000 0.447 145 E N 3.019 123.216 120.200 -0.005 0.000 2.167 145 E HA 0.203 4.553 4.350 -0.000 0.000 0.284 145 E C -2.368 174.236 176.600 0.007 0.000 1.016 145 E CA -3.156 53.248 56.400 0.006 0.000 0.817 145 E CB 0.886 30.591 29.700 0.008 0.000 1.080 145 E HN 0.072 nan 8.360 nan 0.000 0.397 146 P HA 0.048 nan 4.420 nan 0.000 0.270 146 P C -0.679 176.654 177.300 0.055 0.000 1.223 146 P CA -0.371 62.749 63.100 0.033 0.000 0.785 146 P CB 0.606 32.329 31.700 0.038 0.000 0.923 147 S N 1.690 117.448 115.700 0.098 0.000 2.579 147 S HA 0.228 4.698 4.470 -0.000 0.000 0.275 147 S C 0.396 175.059 174.600 0.106 0.000 1.345 147 S CA -0.666 57.617 58.200 0.139 0.000 1.031 147 S CB 0.501 63.874 63.200 0.288 0.000 0.892 147 S HN 0.304 nan 8.310 nan 0.000 0.529 148 R N 1.011 121.561 120.500 0.082 0.000 2.490 148 R HA 0.268 4.608 4.340 -0.000 0.000 0.278 148 R C 1.147 177.469 176.300 0.037 0.000 1.069 148 R CA -0.539 55.593 56.100 0.054 0.000 1.080 148 R CB 0.577 30.897 30.300 0.032 0.000 1.030 148 R HN 0.555 nan 8.270 nan 0.000 0.491 149 V N 2.638 122.554 119.914 0.003 0.000 2.392 149 V HA -0.288 3.831 4.120 -0.000 0.000 0.249 149 V C 2.290 178.300 176.094 -0.140 0.000 1.059 149 V CA 2.318 64.559 62.300 -0.098 0.000 1.051 149 V CB -0.746 30.891 31.823 -0.311 0.000 0.658 149 V HN 0.865 nan 8.190 nan 0.000 0.455 150 E N 0.027 120.168 120.200 -0.098 0.000 2.265 150 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 150 E C 0.957 177.534 176.600 -0.040 0.000 0.996 150 E CA 1.482 57.840 56.400 -0.071 0.000 0.832 150 E CB -0.302 29.373 29.700 -0.041 0.000 0.756 150 E HN 0.560 nan 8.360 nan 0.000 0.491 151 D N 0.863 121.254 120.400 -0.016 0.000 2.328 151 D HA 0.148 4.788 4.640 -0.000 0.000 0.221 151 D C 0.277 176.575 176.300 -0.003 0.000 1.072 151 D CA 0.122 54.128 54.000 0.010 0.000 0.850 151 D CB 0.179 41.008 40.800 0.048 0.000 0.922 151 D HN 0.214 nan 8.370 nan 0.000 0.516 152 L N 2.503 123.691 121.223 -0.059 0.000 2.371 152 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 152 L C -1.748 175.021 176.870 -0.167 0.000 1.124 152 L CA -1.559 53.184 54.840 -0.162 0.000 0.816 152 L CB 0.459 42.422 42.059 -0.161 0.000 1.129 152 L HN -0.180 nan 8.230 nan 0.000 0.448 153 P HA 0.064 nan 4.420 nan 0.000 0.274 153 P C 0.089 177.301 177.300 -0.146 0.000 1.237 153 P CA -0.382 62.626 63.100 -0.153 0.000 0.793 153 P CB 1.009 32.623 31.700 -0.144 0.000 0.977 154 A N 2.048 124.810 122.820 -0.098 0.000 1.940 154 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 154 A C 2.018 179.525 177.584 -0.129 0.000 1.176 154 A CA 1.818 53.796 52.037 -0.098 0.000 0.631 154 A CB -1.174 17.783 19.000 -0.072 0.000 0.814 154 A HN 0.698 nan 8.150 nan 0.000 0.446 155 Q N -0.059 119.672 119.800 -0.116 0.000 2.436 155 Q HA -0.005 4.335 4.340 -0.000 0.000 0.209 155 Q C 1.611 177.526 176.000 -0.142 0.000 0.965 155 Q CA 1.513 57.242 55.803 -0.122 0.000 0.910 155 Q CB -0.413 28.295 28.738 -0.049 0.000 0.980 155 Q HN 0.712 nan 8.270 nan 0.000 0.491 156 I N 0.211 120.706 120.570 -0.126 0.000 2.810 156 I HA -0.015 4.155 4.170 -0.000 0.000 0.262 156 I C 2.478 178.619 176.117 0.040 0.000 1.131 156 I CA 0.391 61.691 61.300 -0.001 0.000 1.453 156 I CB -0.080 37.826 38.000 -0.156 0.000 1.161 156 I HN 0.045 nan 8.210 nan 0.000 0.444 157 K N 1.101 121.456 120.400 -0.074 0.000 2.209 157 K HA -0.143 4.176 4.320 -0.000 0.000 0.204 157 K C 2.132 178.655 176.600 -0.128 0.000 1.048 157 K CA 0.823 57.064 56.287 -0.077 0.000 0.940 157 K CB 0.060 32.506 32.500 -0.090 0.000 0.729 157 K HN 0.132 nan 8.250 nan 0.000 0.451 158 V N 1.463 121.249 119.914 -0.212 0.000 2.380 158 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 158 V C 1.894 177.838 176.094 -0.250 0.000 1.063 158 V CA 1.937 64.086 62.300 -0.251 0.000 1.055 158 V CB -0.462 31.190 31.823 -0.286 0.000 0.657 158 V HN 0.482 nan 8.190 nan 0.000 0.455 159 H N -1.606 117.438 119.070 -0.043 0.000 2.389 159 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 159 H C 2.089 177.271 175.328 -0.243 0.000 1.081 159 H CA 2.046 58.072 56.048 -0.037 0.000 1.345 159 H CB -0.565 29.288 29.762 0.151 0.000 1.393 159 H HN 0.699 nan 8.280 nan 0.000 0.520 160 Y N 2.713 122.643 120.300 -0.617 0.000 2.163 160 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 160 Y C 1.957 177.534 175.900 -0.539 0.000 1.136 160 Y CA 1.245 58.698 58.100 -1.078 0.000 1.147 160 Y CB -0.240 37.314 38.460 -1.510 0.000 0.987 160 Y HN 0.005 nan 8.280 nan 0.000 0.509 161 N N 0.593 119.040 118.700 -0.422 0.000 2.166 161 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 161 N C 1.849 177.175 175.510 -0.307 0.000 1.019 161 N CA 1.641 54.467 53.050 -0.374 0.000 0.856 161 N CB -0.403 37.985 38.487 -0.165 0.000 0.993 161 N HN 0.457 nan 8.380 nan 0.000 0.426 162 R N 0.389 120.760 120.500 -0.215 0.000 2.092 162 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 162 R C 2.089 178.308 176.300 -0.134 0.000 1.119 162 R CA 0.675 56.697 56.100 -0.130 0.000 0.970 162 R CB -0.513 29.757 30.300 -0.050 0.000 0.864 162 R HN 0.065 nan 8.270 nan 0.000 0.440 163 V N 0.785 120.587 119.914 -0.187 0.000 2.255 163 V HA -0.357 3.763 4.120 -0.000 0.000 0.247 163 V C 2.553 178.537 176.094 -0.184 0.000 1.051 163 V CA 1.854 64.064 62.300 -0.150 0.000 1.018 163 V CB -0.535 31.198 31.823 -0.149 0.000 0.641 163 V HN 0.449 nan 8.190 nan 0.000 0.445 164 C N -0.499 118.589 119.300 -0.355 0.000 2.425 164 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 164 C C 2.753 177.716 174.990 -0.045 0.000 1.280 164 C CA 1.277 60.183 59.018 -0.187 0.000 1.744 164 C CB -0.972 26.549 27.740 -0.365 0.000 1.989 164 C HN 0.693 nan 8.230 nan 0.000 0.491 165 E N 0.242 120.372 120.200 -0.116 0.000 2.058 165 E HA -0.247 4.102 4.350 -0.000 0.000 0.194 165 E C 2.231 178.754 176.600 -0.129 0.000 0.997 165 E CA 1.274 57.613 56.400 -0.101 0.000 0.801 165 E CB -0.040 29.603 29.700 -0.095 0.000 0.746 165 E HN 0.589 nan 8.360 nan 0.000 0.450 166 Q N 0.155 119.889 119.800 -0.110 0.000 2.083 166 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 166 Q C 2.507 178.412 176.000 -0.158 0.000 0.969 166 Q CA 0.798 56.535 55.803 -0.110 0.000 0.838 166 Q CB -0.266 28.438 28.738 -0.057 0.000 0.900 166 Q HN 0.403 nan 8.270 nan 0.000 0.436 167 L N 0.368 121.510 121.223 -0.135 0.000 2.042 167 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 167 L C 2.637 179.180 176.870 -0.544 0.000 1.076 167 L CA 1.291 56.025 54.840 -0.177 0.000 0.749 167 L CB -0.532 41.576 42.059 0.081 0.000 0.893 167 L HN 0.182 nan 8.230 nan 0.000 0.432 168 S N -0.096 115.187 115.700 -0.695 0.000 2.368 168 S HA -0.160 4.309 4.470 -0.000 0.000 0.225 168 S C 1.828 176.107 174.600 -0.536 0.000 1.030 168 S CA 1.461 59.059 58.200 -1.003 0.000 0.999 168 S CB -0.195 62.680 63.200 -0.541 0.000 0.844 168 S HN 0.439 nan 8.310 nan 0.000 0.459 169 N N 1.639 120.138 118.700 -0.335 0.000 2.120 169 N HA -0.015 4.724 4.740 -0.000 0.000 0.188 169 N C 1.741 177.102 175.510 -0.249 0.000 1.024 169 N CA 1.543 54.449 53.050 -0.239 0.000 0.852 169 N CB -0.587 37.797 38.487 -0.172 0.000 1.003 169 N HN 0.487 nan 8.380 nan 0.000 0.424 170 I N 0.698 121.106 120.570 -0.269 0.000 2.226 170 I HA -0.246 3.923 4.170 -0.000 0.000 0.245 170 I C 2.018 177.964 176.117 -0.285 0.000 1.100 170 I CA 1.197 62.333 61.300 -0.273 0.000 1.374 170 I CB -0.363 37.476 38.000 -0.268 0.000 1.057 170 I HN 0.050 nan 8.210 nan 0.000 0.413 171 D N 0.799 121.000 120.400 -0.331 0.000 2.116 171 D HA -0.254 4.386 4.640 -0.000 0.000 0.193 171 D C 2.248 178.415 176.300 -0.222 0.000 0.998 171 D CA 1.712 55.562 54.000 -0.250 0.000 0.836 171 D CB 0.028 40.605 40.800 -0.372 0.000 0.951 171 D HN 0.325 nan 8.370 nan 0.000 0.449 172 Q N -0.841 118.805 119.800 -0.256 0.000 2.050 172 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 172 Q C 2.191 178.064 176.000 -0.211 0.000 0.980 172 Q CA 0.921 56.594 55.803 -0.216 0.000 0.840 172 Q CB -0.194 28.431 28.738 -0.189 0.000 0.898 172 Q HN 0.315 nan 8.270 nan 0.000 0.424 173 L N 0.649 121.750 121.223 -0.203 0.000 2.042 173 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 173 L C 1.912 178.669 176.870 -0.188 0.000 1.076 173 L CA 1.664 56.394 54.840 -0.184 0.000 0.749 173 L CB -0.447 41.499 42.059 -0.188 0.000 0.893 173 L HN 0.207 nan 8.230 nan 0.000 0.432 174 L N -0.830 120.271 121.223 -0.203 0.000 2.141 174 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 174 L C 2.644 179.386 176.870 -0.214 0.000 1.094 174 L CA 1.304 56.048 54.840 -0.159 0.000 0.763 174 L CB -0.680 41.314 42.059 -0.109 0.000 0.908 174 L HN 0.497 nan 8.230 nan 0.000 0.437 175 S N -0.042 115.395 115.700 -0.439 0.000 2.355 175 S HA -0.215 4.255 4.470 -0.000 0.000 0.222 175 S C 1.759 176.134 174.600 -0.375 0.000 1.031 175 S CA 1.169 58.866 58.200 -0.837 0.000 0.993 175 S CB -0.554 62.151 63.200 -0.824 0.000 0.859 175 S HN 0.628 nan 8.310 nan 0.000 0.453 176 E N 1.912 121.967 120.200 -0.242 0.000 2.106 176 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 176 E C 2.258 178.796 176.600 -0.104 0.000 0.984 176 E CA 0.743 57.055 56.400 -0.146 0.000 0.806 176 E CB -0.396 29.232 29.700 -0.119 0.000 0.750 176 E HN 0.503 nan 8.360 nan 0.000 0.458 177 R N 0.964 121.403 120.500 -0.102 0.000 2.115 177 R HA 0.003 4.343 4.340 -0.000 0.000 0.226 177 R C 0.728 177.009 176.300 -0.031 0.000 1.100 177 R CA 0.920 56.984 56.100 -0.060 0.000 0.980 177 R CB -0.198 30.066 30.300 -0.059 0.000 0.875 177 R HN 0.128 nan 8.270 nan 0.000 0.445 178 K N 0.594 120.977 120.400 -0.028 0.000 3.088 178 K HA -0.156 4.164 4.320 -0.000 0.000 0.273 178 K C -0.390 176.232 176.600 0.037 0.000 1.111 178 K CA 0.806 57.108 56.287 0.026 0.000 0.803 178 K CB -1.593 30.920 32.500 0.021 0.000 1.226 178 K HN 0.325 nan 8.250 nan 0.000 0.485 179 S N -0.401 115.318 115.700 0.030 0.000 2.617 179 S HA 0.467 4.936 4.470 -0.000 0.000 0.283 179 S C 0.888 175.509 174.600 0.036 0.000 1.189 179 S CA -0.838 57.386 58.200 0.041 0.000 1.036 179 S CB 2.427 65.659 63.200 0.053 0.000 1.014 179 S HN 0.321 nan 8.310 nan 0.000 0.522 180 R N 0.792 121.298 120.500 0.010 0.000 2.066 180 R HA 0.090 4.430 4.340 -0.000 0.000 0.232 180 R C -0.275 175.875 176.300 -0.250 0.000 1.131 180 R CA 1.350 57.367 56.100 -0.138 0.000 0.955 180 R CB -0.529 29.670 30.300 -0.169 0.000 0.851 180 R HN 0.772 nan 8.270 nan 0.000 0.432 181 Y N -1.249 119.115 120.300 0.106 0.000 2.565 181 Y HA 0.175 4.725 4.550 -0.000 0.000 0.325 181 Y C 1.013 177.026 175.900 0.188 0.000 1.221 181 Y CA -0.766 57.449 58.100 0.193 0.000 1.316 181 Y CB 0.277 38.792 38.460 0.092 0.000 1.404 181 Y HN -0.131 nan 8.280 nan 0.000 0.527 182 L N 0.213 121.650 121.223 0.357 0.000 2.093 182 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 182 L C 1.191 178.085 176.870 0.041 0.000 1.085 182 L CA 1.944 56.813 54.840 0.049 0.000 0.755 182 L CB -0.462 41.592 42.059 -0.008 0.000 0.904 182 L HN 0.642 nan 8.230 nan 0.000 0.435 183 L N -1.670 119.623 121.223 0.115 0.000 2.638 183 L HA 0.502 4.842 4.340 -0.000 0.000 0.232 183 L C 0.872 177.790 176.870 0.081 0.000 1.099 183 L CA 0.548 55.436 54.840 0.079 0.000 0.883 183 L CB 0.308 42.435 42.059 0.113 0.000 1.136 183 L HN 0.325 nan 8.230 nan 0.000 0.492 184 G N -1.471 107.401 108.800 0.119 0.000 2.399 184 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.256 184 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.256 184 G C -0.221 174.780 174.900 0.168 0.000 1.236 184 G CA -0.105 45.060 45.100 0.107 0.000 0.914 184 G HN -0.159 nan 8.290 nan 0.000 0.482 185 N N -0.321 118.462 118.700 0.139 0.000 2.463 185 N HA 0.095 4.835 4.740 -0.000 0.000 0.181 185 N C 0.091 175.749 175.510 0.245 0.000 1.078 185 N CA 0.742 53.900 53.050 0.179 0.000 0.902 185 N CB 0.069 38.617 38.487 0.102 0.000 0.970 185 N HN 0.269 nan 8.380 nan 0.000 0.451 186 S N 0.532 116.302 115.700 0.117 0.000 2.503 186 S HA 0.307 4.777 4.470 -0.000 0.000 0.301 186 S C -0.359 174.021 174.600 -0.367 0.000 1.087 186 S CA -0.605 57.536 58.200 -0.099 0.000 1.042 186 S CB 2.387 65.541 63.200 -0.077 0.000 1.043 186 S HN 0.185 nan 8.310 nan 0.000 0.489 187 M N 3.640 122.748 119.600 -0.819 0.000 2.239 187 M HA 0.178 4.658 4.480 -0.000 0.000 0.348 187 M C 0.179 176.258 176.300 -0.368 0.000 1.239 187 M CA 0.441 55.233 55.300 -0.847 0.000 1.114 187 M CB 0.185 32.304 32.600 -0.801 0.000 1.641 187 M HN 0.863 nan 8.290 nan 0.000 0.453 188 T N 0.408 114.824 114.554 -0.230 0.000 2.858 188 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 188 T C 0.871 175.411 174.700 -0.268 0.000 1.052 188 T CA -0.515 61.448 62.100 -0.227 0.000 1.009 188 T CB 1.104 69.925 68.868 -0.079 0.000 1.241 188 T HN 0.751 nan 8.240 nan 0.000 0.542 189 E N 0.321 120.255 120.200 -0.444 0.000 2.160 189 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 189 E C 1.280 177.730 176.600 -0.250 0.000 0.991 189 E CA 1.661 57.817 56.400 -0.406 0.000 0.810 189 E CB -0.693 28.757 29.700 -0.416 0.000 0.742 189 E HN 0.791 nan 8.360 nan 0.000 0.466 190 Y N 2.300 122.586 120.300 -0.023 0.000 2.224 190 Y HA -0.120 4.430 4.550 -0.000 0.000 0.289 190 Y C 2.175 178.087 175.900 0.020 0.000 1.146 190 Y CA 1.393 59.496 58.100 0.004 0.000 1.182 190 Y CB -0.379 38.090 38.460 0.015 0.000 0.983 190 Y HN 0.088 nan 8.280 nan 0.000 0.524 191 D N -1.029 119.475 120.400 0.173 0.000 2.144 191 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 191 D C 2.037 178.369 176.300 0.053 0.000 0.984 191 D CA 1.434 55.533 54.000 0.166 0.000 0.834 191 D CB -0.511 40.377 40.800 0.146 0.000 0.955 191 D HN 0.350 nan 8.370 nan 0.000 0.465 192 C N 0.914 120.204 119.300 -0.017 0.000 2.437 192 C HA -0.028 4.432 4.460 -0.000 0.000 0.283 192 C C 2.452 177.394 174.990 -0.080 0.000 1.424 192 C CA 0.349 59.335 59.018 -0.054 0.000 1.782 192 C CB -0.767 26.915 27.740 -0.096 0.000 1.833 192 C HN 0.371 nan 8.230 nan 0.000 0.532 193 E N -0.072 120.096 120.200 -0.054 0.000 2.132 193 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 193 E C 1.905 178.451 176.600 -0.091 0.000 0.951 193 E CA 0.256 56.599 56.400 -0.096 0.000 0.843 193 E CB -0.226 29.459 29.700 -0.024 0.000 0.807 193 E HN 0.333 nan 8.360 nan 0.000 0.467 194 L N 0.803 122.029 121.223 0.004 0.000 2.072 194 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 194 L C 2.078 178.954 176.870 0.010 0.000 1.079 194 L CA 1.630 56.476 54.840 0.011 0.000 0.752 194 L CB -0.172 41.937 42.059 0.082 0.000 0.906 194 L HN 0.138 nan 8.230 nan 0.000 0.436 195 M N -0.584 119.024 119.600 0.014 0.000 2.099 195 M HA -0.108 4.372 4.480 -0.000 0.000 0.262 195 M C -0.265 176.029 176.300 -0.010 0.000 1.067 195 M CA 1.871 57.094 55.300 -0.129 0.000 1.124 195 M CB -1.355 31.032 32.600 -0.356 0.000 1.353 195 M HN 0.140 nan 8.290 nan 0.000 0.410 196 P HA -0.119 nan 4.420 nan 0.000 0.216 196 P C 1.051 178.272 177.300 -0.133 0.000 1.150 196 P CA 1.320 64.475 63.100 0.091 0.000 0.837 196 P CB -0.136 31.497 31.700 -0.112 0.000 0.786 197 R N -0.704 119.644 120.500 -0.253 0.000 2.073 197 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 197 R C 2.375 178.610 176.300 -0.109 0.000 1.134 197 R CA 1.192 57.116 56.100 -0.293 0.000 0.952 197 R CB -1.178 28.912 30.300 -0.350 0.000 0.850 197 R HN 0.219 nan 8.270 nan 0.000 0.433 198 L N -0.708 120.474 121.223 -0.068 0.000 2.012 198 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 198 L C 2.577 179.445 176.870 -0.004 0.000 1.073 198 L CA 1.541 56.336 54.840 -0.074 0.000 0.748 198 L CB -0.515 41.479 42.059 -0.107 0.000 0.891 198 L HN 0.272 nan 8.230 nan 0.000 0.431 199 H N -0.814 118.272 119.070 0.025 0.000 2.357 199 H HA -0.154 4.402 4.556 -0.000 0.000 0.301 199 H C 2.283 177.746 175.328 0.225 0.000 1.082 199 H CA 1.805 57.970 56.048 0.196 0.000 1.342 199 H CB -0.070 29.954 29.762 0.437 0.000 1.389 199 H HN 0.343 nan 8.280 nan 0.000 0.511 200 H N -0.563 118.514 119.070 0.011 0.000 2.319 200 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 200 H C 2.405 177.586 175.328 -0.244 0.000 1.092 200 H CA 1.385 57.407 56.048 -0.044 0.000 1.302 200 H CB 0.071 29.907 29.762 0.123 0.000 1.373 200 H HN 0.347 nan 8.280 nan 0.000 0.497 201 I N 0.359 120.773 120.570 -0.260 0.000 2.226 201 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 201 I C 2.890 178.873 176.117 -0.223 0.000 1.100 201 I CA 0.763 61.766 61.300 -0.494 0.000 1.374 201 I CB -0.183 37.566 38.000 -0.419 0.000 1.057 201 I HN 0.176 nan 8.210 nan 0.000 0.413 202 R N 1.034 121.444 120.500 -0.150 0.000 2.070 202 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 202 R C 2.255 178.480 176.300 -0.125 0.000 1.137 202 R CA 1.598 57.641 56.100 -0.094 0.000 0.945 202 R CB -0.288 30.023 30.300 0.017 0.000 0.845 202 R HN 0.235 nan 8.270 nan 0.000 0.430 203 I N 1.323 121.783 120.570 -0.184 0.000 2.179 203 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 203 I C 2.430 178.482 176.117 -0.108 0.000 1.088 203 I CA 1.038 62.244 61.300 -0.155 0.000 1.357 203 I CB -1.031 36.832 38.000 -0.227 0.000 1.051 203 I HN 0.101 nan 8.210 nan 0.000 0.409 204 I N 0.915 121.425 120.570 -0.099 0.000 2.315 204 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 204 I C 2.709 178.776 176.117 -0.082 0.000 1.117 204 I CA 1.342 62.617 61.300 -0.041 0.000 1.404 204 I CB -1.927 36.091 38.000 0.030 0.000 1.071 204 I HN 0.174 nan 8.210 nan 0.000 0.419 205 G N 1.253 109.901 108.800 -0.252 0.000 2.491 205 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 205 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 205 G C 1.815 176.486 174.900 -0.380 0.000 1.180 205 G CA 0.555 45.218 45.100 -0.727 0.000 0.774 205 G HN 0.319 nan 8.290 nan 0.000 0.562 206 L N 1.156 122.252 121.223 -0.212 0.000 2.093 206 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 206 L C 3.280 180.126 176.870 -0.040 0.000 1.085 206 L CA 1.574 56.367 54.840 -0.078 0.000 0.755 206 L CB -0.302 41.747 42.059 -0.016 0.000 0.904 206 L HN 0.486 nan 8.230 nan 0.000 0.435 207 S N -0.978 114.696 115.700 -0.042 0.000 2.421 207 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 207 S C 1.719 176.320 174.600 0.002 0.000 1.035 207 S CA 0.275 58.469 58.200 -0.010 0.000 0.953 207 S CB -0.030 63.167 63.200 -0.004 0.000 0.810 207 S HN 0.334 nan 8.310 nan 0.000 0.497 208 L N -0.490 120.731 121.223 -0.005 0.000 2.624 208 L HA 0.447 4.786 4.340 -0.000 0.000 0.222 208 L C 1.785 178.666 176.870 0.018 0.000 1.046 208 L CA 0.277 55.120 54.840 0.006 0.000 0.872 208 L CB 0.063 42.121 42.059 -0.003 0.000 1.190 208 L HN 0.211 nan 8.230 nan 0.000 0.487 209 L N -0.509 120.741 121.223 0.046 0.000 2.664 209 L HA 0.363 4.703 4.340 -0.000 0.000 0.233 209 L C 0.956 178.002 176.870 0.294 0.000 1.113 209 L CA 0.536 55.469 54.840 0.155 0.000 0.896 209 L CB 0.372 42.631 42.059 0.333 0.000 1.163 209 L HN 0.399 nan 8.230 nan 0.000 0.497 210 G N 1.476 110.381 108.800 0.174 0.000 2.203 210 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.231 210 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.231 210 G C -0.210 174.860 174.900 0.284 0.000 1.058 210 G CA 0.170 45.377 45.100 0.178 0.000 0.781 210 G HN 0.352 nan 8.290 nan 0.000 0.496 211 F N -1.741 118.291 119.950 0.137 0.000 2.693 211 F HA 0.804 5.331 4.527 -0.000 0.000 0.309 211 F C -1.123 174.795 175.800 0.196 0.000 1.129 211 F CA -1.646 56.449 58.000 0.160 0.000 0.948 211 F CB 1.175 40.324 39.000 0.248 0.000 1.315 211 F HN 0.041 nan 8.300 nan 0.000 0.447 212 D N 1.243 121.816 120.400 0.288 0.000 2.392 212 D HA 0.506 5.146 4.640 -0.000 0.000 0.246 212 D C -0.491 176.088 176.300 0.466 0.000 1.013 212 D CA -0.654 53.507 54.000 0.268 0.000 0.993 212 D CB 2.299 43.298 40.800 0.331 0.000 1.219 212 D HN 0.686 nan 8.370 nan 0.000 0.538 213 I N 2.561 123.399 120.570 0.448 0.000 2.598 213 I HA 0.099 4.269 4.170 -0.000 0.000 0.284 213 I C -1.842 174.561 176.117 0.477 0.000 1.140 213 I CA -1.366 60.148 61.300 0.358 0.000 1.420 213 I CB 0.761 38.746 38.000 -0.024 0.000 1.387 213 I HN 0.147 nan 8.210 nan 0.000 0.553 214 P HA -0.070 nan 4.420 nan 0.000 0.262 214 P C 0.148 177.554 177.300 0.177 0.000 1.182 214 P CA 0.448 63.482 63.100 -0.111 0.000 0.761 214 P CB 0.249 31.469 31.700 -0.800 0.000 0.795 215 H N 1.987 121.077 119.070 0.034 0.000 2.546 215 H HA -0.085 4.471 4.556 -0.000 0.000 0.277 215 H C 1.636 176.961 175.328 -0.005 0.000 1.004 215 H CA 0.379 56.428 56.048 0.001 0.000 1.231 215 H CB 0.124 29.817 29.762 -0.115 0.000 1.382 215 H HN 0.523 nan 8.280 nan 0.000 0.580 216 N N 0.893 119.614 118.700 0.035 0.000 2.467 216 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 216 N C -0.126 175.551 175.510 0.278 0.000 1.106 216 N CA 0.296 53.390 53.050 0.074 0.000 0.892 216 N CB -0.218 38.276 38.487 0.011 0.000 0.969 216 N HN 0.072 nan 8.380 nan 0.000 0.454 217 F N 2.401 122.511 119.950 0.267 0.000 2.661 217 F HA 0.296 4.823 4.527 -0.000 0.000 0.356 217 F C 1.436 177.407 175.800 0.284 0.000 1.244 217 F CA -0.836 57.298 58.000 0.223 0.000 1.290 217 F CB -0.555 38.532 39.000 0.145 0.000 1.677 217 F HN -0.082 nan 8.300 nan 0.000 0.649 218 T N -1.156 113.624 114.554 0.377 0.000 2.821 218 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 218 T C 1.694 176.458 174.700 0.107 0.000 1.046 218 T CA 1.669 63.895 62.100 0.212 0.000 1.139 218 T CB -0.257 68.644 68.868 0.056 0.000 0.871 218 T HN 0.457 nan 8.240 nan 0.000 0.454 219 H N 0.408 119.553 119.070 0.125 0.000 2.357 219 H HA 0.109 4.665 4.556 -0.000 0.000 0.301 219 H C 2.053 177.410 175.328 0.048 0.000 1.082 219 H CA 0.925 57.006 56.048 0.055 0.000 1.342 219 H CB -0.389 29.371 29.762 -0.003 0.000 1.389 219 H HN 0.106 nan 8.280 nan 0.000 0.511 220 L N -0.572 120.740 121.223 0.149 0.000 2.017 220 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 220 L C 1.657 178.536 176.870 0.015 0.000 1.073 220 L CA 1.592 56.443 54.840 0.017 0.000 0.745 220 L CB -0.640 41.389 42.059 -0.050 0.000 0.894 220 L HN 0.315 nan 8.230 nan 0.000 0.432 221 W N -0.596 120.740 121.300 0.060 0.000 2.402 221 W HA -0.108 4.552 4.660 -0.000 0.000 0.286 221 W C 2.516 178.989 176.519 -0.077 0.000 1.221 221 W CA 1.388 58.726 57.345 -0.013 0.000 1.257 221 W CB -0.349 29.103 29.460 -0.013 0.000 1.120 221 W HN 0.280 nan 8.180 nan 0.000 0.551 222 A N -0.840 122.069 122.820 0.148 0.000 1.933 222 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 222 A C 1.642 179.200 177.584 -0.043 0.000 1.175 222 A CA 1.670 53.719 52.037 0.021 0.000 0.628 222 A CB -1.278 17.698 19.000 -0.040 0.000 0.814 222 A HN 0.496 nan 8.150 nan 0.000 0.444 223 Y N 0.260 120.464 120.300 -0.160 0.000 2.242 223 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 223 Y C 1.920 177.604 175.900 -0.359 0.000 1.137 223 Y CA 1.566 59.518 58.100 -0.247 0.000 1.181 223 Y CB -0.182 38.158 38.460 -0.200 0.000 0.989 223 Y HN 0.262 nan 8.280 nan 0.000 0.527 224 I N -0.654 119.721 120.570 -0.324 0.000 2.226 224 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 224 I C 2.261 177.883 176.117 -0.825 0.000 1.100 224 I CA 1.012 61.907 61.300 -0.675 0.000 1.374 224 I CB -0.482 37.167 38.000 -0.585 0.000 1.057 224 I HN 0.282 nan 8.210 nan 0.000 0.413 225 L N 0.589 121.580 121.223 -0.388 0.000 2.042 225 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 225 L C 2.485 179.181 176.870 -0.291 0.000 1.076 225 L CA 2.170 56.869 54.840 -0.234 0.000 0.749 225 L CB -1.121 40.898 42.059 -0.067 0.000 0.893 225 L HN 0.189 nan 8.230 nan 0.000 0.432 226 T N 0.020 114.349 114.554 -0.375 0.000 2.699 226 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 226 T C 1.922 176.341 174.700 -0.469 0.000 1.036 226 T CA 1.575 63.413 62.100 -0.436 0.000 1.147 226 T CB -0.646 67.862 68.868 -0.599 0.000 0.862 226 T HN 0.572 nan 8.240 nan 0.000 0.446 227 A N 0.994 123.387 122.820 -0.710 0.000 1.892 227 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 227 A C 1.944 179.243 177.584 -0.475 0.000 1.188 227 A CA 1.585 53.123 52.037 -0.831 0.000 0.631 227 A CB -1.059 17.079 19.000 -1.437 0.000 0.822 227 A HN 0.562 nan 8.150 nan 0.000 0.447 228 Y N -0.411 119.594 120.300 -0.491 0.000 2.616 228 Y HA 0.043 4.592 4.550 -0.000 0.000 0.296 228 Y C 2.081 177.910 175.900 -0.119 0.000 1.154 228 Y CA 0.636 58.554 58.100 -0.303 0.000 1.325 228 Y CB -0.382 37.937 38.460 -0.236 0.000 1.007 228 Y HN 0.342 nan 8.280 nan 0.000 0.542 229 R N -1.316 119.189 120.500 0.008 0.000 2.437 229 R HA 0.179 4.519 4.340 -0.000 0.000 0.257 229 R C 0.039 176.346 176.300 0.012 0.000 0.927 229 R CA 0.106 56.212 56.100 0.009 0.000 1.078 229 R CB 0.452 30.740 30.300 -0.019 0.000 1.161 229 R HN -0.070 nan 8.270 nan 0.000 0.529 230 T N 0.837 115.400 114.554 0.014 0.000 2.738 230 T HA 0.267 4.617 4.350 -0.000 0.000 0.298 230 T C 1.162 175.861 174.700 -0.002 0.000 0.962 230 T CA -0.242 61.888 62.100 0.049 0.000 0.972 230 T CB 1.671 70.593 68.868 0.089 0.000 0.928 230 T HN 0.177 nan 8.240 nan 0.000 0.474 231 A N 3.737 126.528 122.820 -0.048 0.000 1.917 231 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 231 A C 2.541 179.780 177.584 -0.575 0.000 1.182 231 A CA 2.011 53.918 52.037 -0.216 0.000 0.633 231 A CB -0.964 17.994 19.000 -0.069 0.000 0.819 231 A HN 0.906 nan 8.150 nan 0.000 0.448 232 A N -1.270 121.275 122.820 -0.458 0.000 1.917 232 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 232 A C 2.073 179.417 177.584 -0.401 0.000 1.182 232 A CA 1.836 53.586 52.037 -0.478 0.000 0.633 232 A CB -0.712 18.259 19.000 -0.049 0.000 0.819 232 A HN 0.779 nan 8.150 nan 0.000 0.448 233 F N 0.385 120.129 119.950 -0.343 0.000 2.098 233 F HA -0.069 4.458 4.527 -0.000 0.000 0.294 233 F C 1.979 177.565 175.800 -0.356 0.000 1.107 233 F CA 1.614 59.424 58.000 -0.317 0.000 1.234 233 F CB -0.252 38.601 39.000 -0.245 0.000 1.002 233 F HN 0.168 nan 8.300 nan 0.000 0.472 234 I N 0.339 120.748 120.570 -0.268 0.000 2.163 234 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 234 I C 2.245 178.095 176.117 -0.444 0.000 1.085 234 I CA 1.320 62.470 61.300 -0.250 0.000 1.347 234 I CB -0.566 37.398 38.000 -0.061 0.000 1.044 234 I HN 0.119 nan 8.210 nan 0.000 0.408 235 E N 0.597 120.465 120.200 -0.553 0.000 2.204 235 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 235 E C 2.126 178.168 176.600 -0.930 0.000 0.989 235 E CA 1.518 57.581 56.400 -0.561 0.000 0.824 235 E CB -0.209 29.181 29.700 -0.517 0.000 0.756 235 E HN 0.544 nan 8.360 nan 0.000 0.477 236 S N -0.999 113.947 115.700 -1.256 0.000 2.557 236 S HA 0.084 4.554 4.470 -0.000 0.000 0.223 236 S C 0.865 174.875 174.600 -0.984 0.000 0.969 236 S CA -0.587 56.543 58.200 -1.784 0.000 0.927 236 S CB -0.398 61.869 63.200 -1.556 0.000 0.806 236 S HN 0.150 nan 8.310 nan 0.000 0.489 237 C N 5.144 123.963 119.300 -0.802 0.000 2.347 237 C HA 0.607 5.067 4.460 -0.000 0.000 0.353 237 C C -2.266 172.543 174.990 -0.301 0.000 1.273 237 C CA -2.290 56.354 59.018 -0.623 0.000 1.861 237 C CB 0.340 27.590 27.740 -0.817 0.000 2.420 237 C HN 0.396 nan 8.230 nan 0.000 0.542 238 P HA 0.276 nan 4.420 nan 0.000 0.274 238 P C -0.536 176.750 177.300 -0.024 0.000 1.246 238 P CA -0.013 63.054 63.100 -0.055 0.000 0.795 238 P CB 0.669 32.365 31.700 -0.007 0.000 1.006 239 A N 1.693 124.496 122.820 -0.028 0.000 2.425 239 A HA 0.046 4.366 4.320 -0.000 0.000 0.242 239 A C 1.272 178.863 177.584 0.012 0.000 1.077 239 A CA -0.047 51.975 52.037 -0.024 0.000 0.781 239 A CB -0.483 18.495 19.000 -0.036 0.000 1.020 239 A HN 0.543 nan 8.150 nan 0.000 0.494 240 D N 0.893 121.302 120.400 0.014 0.000 2.149 240 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 240 D C 1.751 178.063 176.300 0.019 0.000 1.001 240 D CA 2.167 56.178 54.000 0.018 0.000 0.849 240 D CB -0.210 40.592 40.800 0.005 0.000 0.939 240 D HN 0.677 nan 8.370 nan 0.000 0.449 241 Q N 0.400 120.207 119.800 0.012 0.000 2.167 241 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 241 Q C 1.565 177.600 176.000 0.058 0.000 0.970 241 Q CA 0.976 56.794 55.803 0.025 0.000 0.855 241 Q CB -0.028 28.707 28.738 -0.005 0.000 0.911 241 Q HN 0.338 nan 8.270 nan 0.000 0.438 242 D N -0.386 120.040 120.400 0.042 0.000 2.234 242 D HA -0.020 4.619 4.640 -0.000 0.000 0.205 242 D C 1.720 178.081 176.300 0.101 0.000 0.962 242 D CA 0.613 54.656 54.000 0.072 0.000 0.855 242 D CB 0.127 40.947 40.800 0.034 0.000 0.951 242 D HN 0.288 nan 8.370 nan 0.000 0.500 243 I N 0.783 121.381 120.570 0.047 0.000 2.202 243 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 243 I C 2.383 178.619 176.117 0.198 0.000 1.091 243 I CA 0.715 62.023 61.300 0.012 0.000 1.368 243 I CB -0.118 37.815 38.000 -0.112 0.000 1.058 243 I HN -0.106 nan 8.210 nan 0.000 0.410 244 I N -0.007 120.655 120.570 0.153 0.000 2.163 244 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 244 I C 2.723 178.961 176.117 0.202 0.000 1.085 244 I CA 1.554 62.958 61.300 0.173 0.000 1.347 244 I CB -0.670 37.389 38.000 0.099 0.000 1.044 244 I HN 0.342 nan 8.210 nan 0.000 0.408 245 H N -0.212 118.911 119.070 0.088 0.000 2.421 245 H HA -0.243 4.313 4.556 -0.000 0.000 0.298 245 H C 2.292 177.664 175.328 0.072 0.000 1.087 245 H CA 2.134 58.215 56.048 0.055 0.000 1.330 245 H CB 0.000 29.775 29.762 0.021 0.000 1.388 245 H HN 0.465 nan 8.280 nan 0.000 0.526 246 H N -0.359 118.733 119.070 0.036 0.000 2.290 246 H HA -0.199 4.357 4.556 -0.000 0.000 0.298 246 H C 1.771 176.988 175.328 -0.185 0.000 1.087 246 H CA 2.457 58.448 56.048 -0.096 0.000 1.291 246 H CB -0.361 29.312 29.762 -0.148 0.000 1.369 246 H HN 0.290 nan 8.280 nan 0.000 0.492 247 Y N 0.568 120.914 120.300 0.076 0.000 2.263 247 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 247 Y C 2.547 178.397 175.900 -0.084 0.000 1.130 247 Y CA 1.091 59.201 58.100 0.016 0.000 1.179 247 Y CB -0.007 38.523 38.460 0.117 0.000 0.998 247 Y HN 0.152 nan 8.280 nan 0.000 0.532 248 K N 0.471 120.886 120.400 0.025 0.000 2.057 248 K HA -0.222 4.097 4.320 -0.000 0.000 0.207 248 K C 1.997 178.491 176.600 -0.177 0.000 1.049 248 K CA 1.825 58.064 56.287 -0.079 0.000 0.931 248 K CB -0.235 32.206 32.500 -0.098 0.000 0.714 248 K HN 0.552 nan 8.250 nan 0.000 0.440 249 E N 0.694 120.700 120.200 -0.324 0.000 2.204 249 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 249 E C 1.701 178.196 176.600 -0.175 0.000 0.989 249 E CA 0.892 57.114 56.400 -0.296 0.000 0.824 249 E CB 0.032 29.508 29.700 -0.373 0.000 0.756 249 E HN 0.223 nan 8.360 nan 0.000 0.477 250 Q N -0.111 119.579 119.800 -0.184 0.000 2.250 250 Q HA 0.122 4.461 4.340 -0.000 0.000 0.200 250 Q C 1.968 177.932 176.000 -0.061 0.000 0.941 250 Q CA 0.607 56.335 55.803 -0.127 0.000 0.872 250 Q CB 0.095 28.729 28.738 -0.173 0.000 0.965 250 Q HN 0.403 nan 8.270 nan 0.000 0.480 251 M N 0.612 120.187 119.600 -0.041 0.000 2.659 251 M HA 0.013 4.492 4.480 -0.000 0.000 0.243 251 M C -0.454 175.835 176.300 -0.018 0.000 1.111 251 M CA 0.216 55.505 55.300 -0.018 0.000 1.070 251 M CB -0.967 31.632 32.600 -0.001 0.000 1.525 251 M HN 0.139 nan 8.290 nan 0.000 0.517 252 N N 1.860 120.543 118.700 -0.028 0.000 2.650 252 N HA -0.171 4.569 4.740 -0.000 0.000 0.272 252 N C -1.386 174.133 175.510 0.016 0.000 1.058 252 N CA 0.406 53.450 53.050 -0.009 0.000 0.765 252 N CB -1.014 37.475 38.487 0.003 0.000 0.902 252 N HN 0.363 nan 8.380 nan 0.000 0.551 253 L N -0.017 121.212 121.223 0.010 0.000 2.333 253 L HA 0.622 4.962 4.340 -0.000 0.000 0.269 253 L C 0.170 177.086 176.870 0.077 0.000 1.010 253 L CA -1.073 53.797 54.840 0.051 0.000 0.818 253 L CB 0.984 43.060 42.059 0.030 0.000 1.306 253 L HN 0.048 nan 8.230 nan 0.000 0.430 254 F N 0.862 120.808 119.950 -0.006 0.000 2.427 254 F HA 0.326 4.853 4.527 -0.000 0.000 0.352 254 F C 0.124 175.941 175.800 0.029 0.000 1.100 254 F CA -0.029 57.976 58.000 0.008 0.000 1.191 254 F CB 1.133 40.138 39.000 0.008 0.000 1.128 254 F HN 0.300 nan 8.300 nan 0.000 0.533 255 T N 6.911 120.936 114.554 -0.882 0.000 2.821 255 T HA 0.207 4.557 4.350 -0.000 0.000 0.307 255 T C -0.150 173.951 174.700 -0.998 0.000 1.034 255 T CA -0.844 60.891 62.100 -0.608 0.000 0.953 255 T CB 0.078 68.828 68.868 -0.196 0.000 0.968 255 T HN 0.674 nan 8.240 nan 0.000 0.462 256 N N 2.477 120.863 118.700 -0.523 0.000 2.294 256 N HA 0.031 4.771 4.740 -0.000 0.000 0.248 256 N C 1.203 176.665 175.510 -0.080 0.000 1.300 256 N CA -0.479 52.493 53.050 -0.129 0.000 0.925 256 N CB 0.504 39.126 38.487 0.226 0.000 1.188 256 N HN 0.533 nan 8.380 nan 0.000 0.512 257 Q N -0.875 118.939 119.800 0.023 0.000 2.170 257 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 257 Q C 1.988 177.986 176.000 -0.005 0.000 0.976 257 Q CA 1.064 56.872 55.803 0.007 0.000 0.858 257 Q CB 0.033 28.792 28.738 0.036 0.000 0.907 257 Q HN 0.652 nan 8.270 nan 0.000 0.433 258 R N 0.458 120.963 120.500 0.009 0.000 2.064 258 R HA -0.147 4.193 4.340 -0.000 0.000 0.228 258 R C 2.126 178.420 176.300 -0.010 0.000 1.144 258 R CA 1.785 57.888 56.100 0.005 0.000 0.932 258 R CB -0.187 30.124 30.300 0.019 0.000 0.833 258 R HN 0.366 nan 8.270 nan 0.000 0.429 259 E N -0.509 119.682 120.200 -0.014 0.000 2.418 259 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 259 E C 1.195 177.769 176.600 -0.042 0.000 1.026 259 E CA 1.247 57.635 56.400 -0.020 0.000 0.862 259 E CB -0.042 29.653 29.700 -0.008 0.000 0.799 259 E HN 0.302 nan 8.360 nan 0.000 0.518 260 T N 1.442 115.960 114.554 -0.060 0.000 2.942 260 T HA 0.093 4.443 4.350 -0.000 0.000 0.265 260 T C 1.790 176.449 174.700 -0.068 0.000 1.062 260 T CA 0.511 62.557 62.100 -0.089 0.000 1.139 260 T CB 0.021 68.833 68.868 -0.093 0.000 0.883 260 T HN 0.139 nan 8.240 nan 0.000 0.468 261 L N 0.438 121.636 121.223 -0.042 0.000 2.607 261 L HA 0.238 4.578 4.340 -0.000 0.000 0.228 261 L C 0.864 177.718 176.870 -0.027 0.000 1.123 261 L CA -0.032 54.789 54.840 -0.032 0.000 0.890 261 L CB -0.138 41.910 42.059 -0.019 0.000 1.103 261 L HN 0.192 nan 8.230 nan 0.000 0.468 262 Q N 1.041 120.824 119.800 -0.027 0.000 2.269 262 Q HA 0.010 4.349 4.340 -0.000 0.000 0.300 262 Q C 0.103 176.086 176.000 -0.028 0.000 1.070 262 Q CA 0.008 55.798 55.803 -0.022 0.000 0.957 262 Q CB 0.619 29.346 28.738 -0.019 0.000 1.131 262 Q HN 0.202 nan 8.270 nan 0.000 0.377 263 S N 5.376 121.061 115.700 -0.024 0.000 2.549 263 S HA 0.191 4.661 4.470 -0.000 0.000 0.283 263 S C -2.055 172.527 174.600 -0.031 0.000 1.320 263 S CA -1.086 57.098 58.200 -0.027 0.000 1.058 263 S CB 0.361 63.547 63.200 -0.024 0.000 0.882 263 S HN 0.469 nan 8.310 nan 0.000 0.498 264 P HA 0.212 nan 4.420 nan 0.000 0.276 264 P C -0.465 176.806 177.300 -0.049 0.000 1.230 264 P CA -0.273 62.803 63.100 -0.040 0.000 0.776 264 P CB 0.624 32.300 31.700 -0.040 0.000 0.888 265 T N -0.494 114.028 114.554 -0.054 0.000 2.906 265 T HA 0.549 4.899 4.350 -0.000 0.000 0.295 265 T C -0.605 174.035 174.700 -0.101 0.000 1.075 265 T CA -0.997 61.057 62.100 -0.076 0.000 1.005 265 T CB 1.902 70.734 68.868 -0.060 0.000 1.136 265 T HN 0.229 nan 8.240 nan 0.000 0.498 266 K N 1.603 121.897 120.400 -0.177 0.000 2.572 266 K HA 0.385 4.705 4.320 -0.000 0.000 0.244 266 K C -0.872 175.504 176.600 -0.374 0.000 0.965 266 K CA -0.606 55.505 56.287 -0.294 0.000 0.943 266 K CB 1.667 33.864 32.500 -0.503 0.000 1.154 266 K HN 0.650 nan 8.250 nan 0.000 0.447 267 T N 2.796 117.267 114.554 -0.139 0.000 2.782 267 T HA 0.150 4.499 4.350 -0.000 0.000 0.298 267 T C -0.095 174.624 174.700 0.032 0.000 0.944 267 T CA -0.047 62.023 62.100 -0.051 0.000 1.001 267 T CB -0.257 68.633 68.868 0.037 0.000 0.932 267 T HN 0.413 nan 8.240 nan 0.000 0.524 268 H N 2.096 120.989 119.070 -0.294 0.000 2.328 268 H HA 0.306 4.861 4.556 -0.000 0.000 0.230 268 H C -0.160 174.985 175.328 -0.305 0.000 1.481 268 H CA -0.677 54.906 56.048 -0.776 0.000 1.306 268 H CB 0.498 29.763 29.762 -0.827 0.000 1.531 268 H HN 0.383 nan 8.280 nan 0.000 0.533 269 T N 3.135 117.737 114.554 0.082 0.000 2.840 269 T HA 0.246 4.596 4.350 -0.000 0.000 0.287 269 T C 0.076 174.894 174.700 0.197 0.000 0.991 269 T CA -0.704 61.471 62.100 0.124 0.000 0.964 269 T CB 1.328 70.229 68.868 0.054 0.000 0.954 269 T HN 0.239 nan 8.240 nan 0.000 0.438 270 I N 4.516 125.163 120.570 0.127 0.000 2.428 270 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 270 I C -1.928 174.023 176.117 -0.276 0.000 1.019 270 I CA -3.080 58.188 61.300 -0.055 0.000 1.351 270 I CB 0.267 38.249 38.000 -0.030 0.000 1.412 270 I HN 0.344 nan 8.210 nan 0.000 0.513 271 P HA 0.026 nan 4.420 nan 0.000 0.268 271 P C 0.877 177.943 177.300 -0.390 0.000 1.208 271 P CA -0.048 62.732 63.100 -0.534 0.000 0.777 271 P CB 0.924 32.019 31.700 -1.009 0.000 0.875 272 E N 1.907 121.961 120.200 -0.244 0.000 2.031 272 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 272 E C 1.600 178.100 176.600 -0.167 0.000 0.994 272 E CA 1.392 57.695 56.400 -0.162 0.000 0.800 272 E CB -0.081 29.558 29.700 -0.100 0.000 0.752 272 E HN 0.126 nan 8.360 nan 0.000 0.447 273 K N 0.201 120.496 120.400 -0.174 0.000 2.148 273 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 273 K C 1.837 178.331 176.600 -0.177 0.000 1.050 273 K CA 1.037 57.243 56.287 -0.134 0.000 0.942 273 K CB -0.283 32.164 32.500 -0.087 0.000 0.724 273 K HN 0.098 nan 8.250 nan 0.000 0.446 274 V N 0.806 120.533 119.914 -0.310 0.000 2.427 274 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 274 V C 2.164 178.121 176.094 -0.228 0.000 1.051 274 V CA 1.370 63.461 62.300 -0.348 0.000 1.048 274 V CB -0.474 30.906 31.823 -0.739 0.000 0.666 274 V HN 0.258 nan 8.190 nan 0.000 0.456 275 L N 0.088 121.181 121.223 -0.216 0.000 2.093 275 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 275 L C 2.515 179.328 176.870 -0.094 0.000 1.085 275 L CA 1.924 56.686 54.840 -0.131 0.000 0.755 275 L CB -0.748 41.243 42.059 -0.112 0.000 0.904 275 L HN 0.277 nan 8.230 nan 0.000 0.435 276 S N -0.280 115.363 115.700 -0.095 0.000 2.356 276 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 276 S C 1.565 176.129 174.600 -0.061 0.000 1.032 276 S CA 1.368 59.527 58.200 -0.068 0.000 1.005 276 S CB -0.449 62.714 63.200 -0.062 0.000 0.867 276 S HN 0.515 nan 8.310 nan 0.000 0.449 277 D N 1.381 121.739 120.400 -0.070 0.000 2.123 277 D HA -0.066 4.574 4.640 -0.000 0.000 0.196 277 D C 1.817 178.080 176.300 -0.061 0.000 0.992 277 D CA 0.860 54.828 54.000 -0.054 0.000 0.833 277 D CB -0.408 40.363 40.800 -0.048 0.000 0.954 277 D HN 0.350 nan 8.370 nan 0.000 0.455 278 I N 0.609 121.136 120.570 -0.072 0.000 2.179 278 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 278 I C 2.524 178.601 176.117 -0.066 0.000 1.088 278 I CA 1.068 62.321 61.300 -0.078 0.000 1.357 278 I CB -0.078 37.883 38.000 -0.065 0.000 1.051 278 I HN -0.081 nan 8.210 nan 0.000 0.409 279 R N 0.238 120.705 120.500 -0.054 0.000 2.096 279 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 279 R C 2.160 178.438 176.300 -0.036 0.000 1.127 279 R CA 1.779 57.853 56.100 -0.042 0.000 0.968 279 R CB -0.516 29.761 30.300 -0.038 0.000 0.861 279 R HN 0.422 nan 8.270 nan 0.000 0.440 280 V N -1.045 118.848 119.914 -0.036 0.000 3.510 280 V HA 0.011 4.131 4.120 -0.000 0.000 0.270 280 V C 0.985 177.065 176.094 -0.023 0.000 1.201 280 V CA 1.224 63.508 62.300 -0.026 0.000 1.166 280 V CB -0.253 31.556 31.823 -0.022 0.000 0.825 280 V HN 0.157 nan 8.190 nan 0.000 0.484 281 K N 0.808 121.187 120.400 -0.035 0.000 2.374 281 K HA 0.445 4.765 4.320 -0.000 0.000 0.202 281 K C 1.210 177.790 176.600 -0.032 0.000 1.040 281 K CA 0.363 56.631 56.287 -0.032 0.000 1.085 281 K CB 0.792 33.259 32.500 -0.055 0.000 0.873 281 K HN 0.630 nan 8.250 nan 0.000 0.539 282 G N 2.249 111.029 108.800 -0.035 0.000 2.295 282 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.287 282 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.287 282 G C 0.362 175.238 174.900 -0.040 0.000 1.055 282 G CA 0.018 45.100 45.100 -0.030 0.000 0.922 282 G HN 0.301 nan 8.290 nan 0.000 0.503 283 L N -0.958 120.226 121.223 -0.065 0.000 2.629 283 L HA 0.519 4.859 4.340 -0.000 0.000 0.230 283 L C 1.464 178.292 176.870 -0.070 0.000 1.151 283 L CA 0.641 55.431 54.840 -0.083 0.000 0.924 283 L CB -0.258 41.706 42.059 -0.158 0.000 1.137 283 L HN 0.591 nan 8.230 nan 0.000 0.457 284 A N 0.000 122.786 122.820 -0.056 0.000 2.254 284 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 284 A CA 0.000 52.004 52.037 -0.055 0.000 0.836 284 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 284 A HN 0.000 nan 8.150 nan 0.000 0.486