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 1uf2_1_F DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSXXX DATA SEQUENCE XXXVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.818 176.300 0.863 0.000 1.140 1 M CA 0.000 55.692 55.300 0.653 0.000 0.988 1 M CB 0.000 32.746 32.600 0.243 0.000 1.302 2 S N 1.615 117.603 115.700 0.479 0.000 2.631 2 S HA -0.102 4.368 4.470 -0.000 0.000 0.311 2 S C 1.124 175.936 174.600 0.352 0.000 1.254 2 S CA 0.978 59.372 58.200 0.324 0.000 1.039 2 S CB 0.409 63.707 63.200 0.162 0.000 0.753 2 S HN 0.579 nan 8.310 nan 0.000 0.494 3 R N 2.880 123.332 120.500 -0.080 0.000 2.105 3 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 3 R C 2.123 178.412 176.300 -0.018 0.000 1.135 3 R CA 1.640 57.504 56.100 -0.394 0.000 0.967 3 R CB -0.600 29.086 30.300 -1.023 0.000 0.861 3 R HN 0.646 nan 8.270 nan 0.000 0.442 4 Q N 1.296 121.089 119.800 -0.012 0.000 2.030 4 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 4 Q C 2.221 178.302 176.000 0.136 0.000 0.986 4 Q CA 2.212 58.041 55.803 0.045 0.000 0.843 4 Q CB -0.217 28.534 28.738 0.022 0.000 0.904 4 Q HN 0.425 nan 8.270 nan 0.000 0.420 5 M N -1.686 118.005 119.600 0.152 0.000 2.082 5 M HA -0.247 4.233 4.480 -0.000 0.000 0.258 5 M C 1.788 178.193 176.300 0.174 0.000 1.069 5 M CA 1.876 57.251 55.300 0.124 0.000 1.102 5 M CB -0.588 32.068 32.600 0.092 0.000 1.336 5 M HN 0.312 nan 8.290 nan 0.000 0.404 6 W N 0.548 121.984 121.300 0.227 0.000 2.363 6 W HA -0.139 4.521 4.660 -0.000 0.000 0.296 6 W C 2.131 178.810 176.519 0.266 0.000 1.212 6 W CA 0.956 58.475 57.345 0.290 0.000 1.260 6 W CB -0.390 29.316 29.460 0.411 0.000 1.131 6 W HN 0.148 nan 8.180 nan 0.000 0.530 7 L N -0.365 121.112 121.223 0.424 0.000 2.005 7 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 7 L C 2.075 179.111 176.870 0.277 0.000 1.072 7 L CA 1.552 56.607 54.840 0.358 0.000 0.744 7 L CB -0.975 41.255 42.059 0.285 0.000 0.895 7 L HN -0.135 nan 8.230 nan 0.000 0.433 8 D N -0.391 120.115 120.400 0.177 0.000 2.127 8 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 8 D C 2.115 178.407 176.300 -0.013 0.000 1.000 8 D CA 2.015 56.032 54.000 0.030 0.000 0.839 8 D CB -0.365 40.445 40.800 0.016 0.000 0.955 8 D HN 0.205 nan 8.370 nan 0.000 0.446 9 T N -0.603 113.981 114.554 0.050 0.000 2.720 9 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 9 T C 1.999 176.684 174.700 -0.025 0.000 1.037 9 T CA 1.540 63.650 62.100 0.017 0.000 1.144 9 T CB -0.481 68.433 68.868 0.078 0.000 0.864 9 T HN 0.096 nan 8.240 nan 0.000 0.444 10 S N 1.157 116.949 115.700 0.153 0.000 2.365 10 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 10 S C 2.410 176.970 174.600 -0.066 0.000 1.039 10 S CA 1.569 59.816 58.200 0.077 0.000 1.033 10 S CB -0.622 62.781 63.200 0.338 0.000 0.887 10 S HN 0.535 nan 8.310 nan 0.000 0.447 11 A N 2.055 124.819 122.820 -0.094 0.000 1.908 11 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 11 A C 2.296 179.751 177.584 -0.216 0.000 1.181 11 A CA 1.653 53.523 52.037 -0.277 0.000 0.627 11 A CB -0.934 17.650 19.000 -0.693 0.000 0.818 11 A HN 0.603 nan 8.150 nan 0.000 0.445 12 L N -0.407 120.701 121.223 -0.191 0.000 2.017 12 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 12 L C 2.334 179.109 176.870 -0.158 0.000 1.073 12 L CA 1.837 56.573 54.840 -0.172 0.000 0.745 12 L CB -0.771 41.197 42.059 -0.151 0.000 0.894 12 L HN 0.452 nan 8.230 nan 0.000 0.432 13 L N -0.163 120.944 121.223 -0.194 0.000 2.083 13 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 13 L C 2.586 179.401 176.870 -0.090 0.000 1.083 13 L CA 1.286 56.012 54.840 -0.190 0.000 0.752 13 L CB -0.337 41.475 42.059 -0.412 0.000 0.899 13 L HN 0.355 nan 8.230 nan 0.000 0.433 14 E N -0.260 119.891 120.200 -0.083 0.000 2.150 14 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 14 E C 2.225 178.840 176.600 0.025 0.000 0.985 14 E CA 1.026 57.425 56.400 -0.001 0.000 0.814 14 E CB -0.012 29.701 29.700 0.022 0.000 0.752 14 E HN 0.500 nan 8.360 nan 0.000 0.466 15 A N 1.123 123.929 122.820 -0.023 0.000 1.898 15 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 15 A C 2.114 179.715 177.584 0.028 0.000 1.181 15 A CA 0.797 52.839 52.037 0.009 0.000 0.620 15 A CB -0.473 18.466 19.000 -0.103 0.000 0.819 15 A HN 0.136 nan 8.150 nan 0.000 0.442 16 I N -0.312 120.227 120.570 -0.052 0.000 2.208 16 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 16 I C 2.895 179.045 176.117 0.054 0.000 1.097 16 I CA 1.564 62.821 61.300 -0.072 0.000 1.363 16 I CB -0.205 37.764 38.000 -0.051 0.000 1.051 16 I HN 0.480 nan 8.210 nan 0.000 0.413 17 S N 0.501 116.263 115.700 0.103 0.000 2.343 17 S HA -0.290 4.180 4.470 -0.000 0.000 0.219 17 S C 2.061 176.733 174.600 0.119 0.000 1.033 17 S CA 1.897 60.179 58.200 0.138 0.000 1.014 17 S CB -0.385 62.889 63.200 0.123 0.000 0.915 17 S HN 0.471 nan 8.310 nan 0.000 0.435 18 E N -0.816 119.456 120.200 0.121 0.000 2.113 18 E HA -0.258 4.092 4.350 -0.000 0.000 0.210 18 E C 1.857 178.476 176.600 0.031 0.000 1.040 18 E CA 2.091 58.544 56.400 0.088 0.000 0.847 18 E CB -0.373 29.406 29.700 0.132 0.000 0.755 18 E HN 0.764 nan 8.360 nan 0.000 0.459 19 Y N -0.436 119.839 120.300 -0.040 0.000 2.373 19 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 19 Y C 2.230 178.114 175.900 -0.026 0.000 1.129 19 Y CA 0.626 58.693 58.100 -0.055 0.000 1.226 19 Y CB -0.087 38.295 38.460 -0.129 0.000 1.000 19 Y HN -0.018 nan 8.280 nan 0.000 0.549 20 V N -1.160 118.824 119.914 0.117 0.000 2.515 20 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 20 V C 2.053 178.201 176.094 0.090 0.000 1.058 20 V CA 1.423 63.797 62.300 0.124 0.000 1.064 20 V CB -0.572 31.353 31.823 0.170 0.000 0.675 20 V HN 0.226 nan 8.190 nan 0.000 0.461 21 V N -0.368 119.580 119.914 0.056 0.000 2.548 21 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 21 V C 2.453 178.544 176.094 -0.004 0.000 1.055 21 V CA 1.547 63.862 62.300 0.025 0.000 1.065 21 V CB -0.794 31.035 31.823 0.009 0.000 0.681 21 V HN 0.437 nan 8.190 nan 0.000 0.462 22 R N -0.740 119.734 120.500 -0.043 0.000 2.148 22 R HA -0.077 4.263 4.340 -0.000 0.000 0.227 22 R C 2.017 178.313 176.300 -0.007 0.000 1.103 22 R CA 1.533 57.586 56.100 -0.078 0.000 0.983 22 R CB -0.383 29.779 30.300 -0.231 0.000 0.874 22 R HN 0.467 nan 8.270 nan 0.000 0.451 23 C N -0.070 119.258 119.300 0.046 0.000 2.780 23 C HA 0.090 4.550 4.460 -0.000 0.000 0.267 23 C C 1.087 176.097 174.990 0.032 0.000 1.266 23 C CA -0.826 58.244 59.018 0.087 0.000 1.709 23 C CB -1.394 26.476 27.740 0.216 0.000 1.975 23 C HN 0.458 nan 8.230 nan 0.000 0.582 24 N N 0.903 119.618 118.700 0.024 0.000 2.411 24 N HA 0.222 4.962 4.740 -0.000 0.000 0.261 24 N C 1.203 176.683 175.510 -0.050 0.000 1.248 24 N CA 0.966 54.013 53.050 -0.005 0.000 0.885 24 N CB 0.201 38.694 38.487 0.009 0.000 1.062 24 N HN 0.533 nan 8.380 nan 0.000 0.471 25 G N 3.228 111.959 108.800 -0.115 0.000 2.187 25 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 25 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 25 G C -0.049 174.682 174.900 -0.280 0.000 1.000 25 G CA 0.417 45.405 45.100 -0.185 0.000 0.718 25 G HN 0.772 nan 8.290 nan 0.000 0.519 26 D N -0.016 120.226 120.400 -0.264 0.000 2.650 26 D HA 0.261 4.901 4.640 -0.000 0.000 0.265 26 D C 0.791 176.935 176.300 -0.261 0.000 1.339 26 D CA 0.703 54.626 54.000 -0.129 0.000 0.816 26 D CB 0.362 41.212 40.800 0.082 0.000 1.091 26 D HN 0.449 nan 8.370 nan 0.000 0.483 27 T N -1.085 113.116 114.554 -0.588 0.000 3.254 27 T HA 0.482 4.832 4.350 -0.000 0.000 0.385 27 T C 0.063 174.414 174.700 -0.581 0.000 1.528 27 T CA -0.672 61.136 62.100 -0.487 0.000 1.212 27 T CB -0.437 68.172 68.868 -0.431 0.000 1.145 27 T HN -0.220 nan 8.240 nan 0.000 0.631 28 F N 1.231 121.102 119.950 -0.132 0.000 2.380 28 F HA 0.449 4.976 4.527 -0.000 0.000 0.321 28 F C 2.055 177.792 175.800 -0.104 0.000 1.103 28 F CA -1.033 56.910 58.000 -0.094 0.000 1.067 28 F CB 1.122 40.086 39.000 -0.060 0.000 1.265 28 F HN 0.497 nan 8.300 nan 0.000 0.517 29 S N -0.136 115.636 115.700 0.120 0.000 2.371 29 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 29 S C 1.884 176.510 174.600 0.043 0.000 1.029 29 S CA 0.750 58.975 58.200 0.042 0.000 0.978 29 S CB -0.935 62.286 63.200 0.034 0.000 0.833 29 S HN 0.819 nan 8.310 nan 0.000 0.466 30 G N 1.175 110.010 108.800 0.059 0.000 2.920 30 G HA2 0.443 4.403 3.960 -0.000 0.000 0.208 30 G HA3 0.443 4.403 3.960 -0.000 0.000 0.208 30 G C 0.336 175.255 174.900 0.031 0.000 1.159 30 G CA -0.080 45.039 45.100 0.032 0.000 0.784 30 G HN 0.481 nan 8.290 nan 0.000 0.535 31 L N -1.294 119.960 121.223 0.053 0.000 2.283 31 L HA 0.683 5.023 4.340 -0.000 0.000 0.259 31 L C -0.725 176.180 176.870 0.058 0.000 1.027 31 L CA -0.988 53.884 54.840 0.053 0.000 0.828 31 L CB 2.171 44.267 42.059 0.062 0.000 1.380 31 L HN -0.312 nan 8.230 nan 0.000 0.425 32 T N -0.434 114.166 114.554 0.077 0.000 3.038 32 T HA 0.187 4.537 4.350 -0.000 0.000 0.344 32 T C -0.211 174.570 174.700 0.134 0.000 1.054 32 T CA -0.392 61.780 62.100 0.120 0.000 1.092 32 T CB 1.006 69.955 68.868 0.134 0.000 1.031 32 T HN 0.696 nan 8.240 nan 0.000 0.482 33 T N 1.976 116.623 114.554 0.155 0.000 2.888 33 T HA 0.295 4.645 4.350 -0.000 0.000 0.301 33 T C 1.879 176.678 174.700 0.165 0.000 1.001 33 T CA 0.417 62.607 62.100 0.150 0.000 1.147 33 T CB 0.502 69.469 68.868 0.163 0.000 0.931 33 T HN 0.653 nan 8.240 nan 0.000 0.541 34 G N 4.342 113.213 108.800 0.118 0.000 2.545 34 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.222 34 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.222 34 G C 1.199 176.187 174.900 0.147 0.000 1.126 34 G CA 1.183 46.349 45.100 0.109 0.000 0.754 34 G HN 0.819 nan 8.290 nan 0.000 0.583 35 D N -0.057 120.448 120.400 0.175 0.000 2.084 35 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 35 D C 2.008 178.462 176.300 0.257 0.000 0.990 35 D CA 0.679 54.827 54.000 0.247 0.000 0.826 35 D CB -0.581 40.297 40.800 0.131 0.000 0.971 35 D HN 0.304 nan 8.370 nan 0.000 0.453 36 F N 1.659 121.659 119.950 0.084 0.000 2.126 36 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 36 F C 2.045 177.854 175.800 0.015 0.000 1.096 36 F CA 1.411 59.439 58.000 0.047 0.000 1.255 36 F CB -0.382 38.646 39.000 0.046 0.000 0.997 36 F HN -0.131 nan 8.300 nan 0.000 0.479 37 N N 0.206 118.958 118.700 0.086 0.000 2.149 37 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 37 N C 1.820 177.238 175.510 -0.152 0.000 1.019 37 N CA 1.592 54.625 53.050 -0.029 0.000 0.857 37 N CB -0.371 38.142 38.487 0.044 0.000 0.997 37 N HN 0.340 nan 8.380 nan 0.000 0.426 38 A N 0.079 122.822 122.820 -0.128 0.000 1.897 38 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 38 A C 2.109 179.443 177.584 -0.415 0.000 1.181 38 A CA 1.033 52.917 52.037 -0.255 0.000 0.620 38 A CB -0.880 17.953 19.000 -0.279 0.000 0.821 38 A HN 0.378 nan 8.150 nan 0.000 0.443 39 L N 0.146 121.122 121.223 -0.412 0.000 2.012 39 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 39 L C 2.494 178.870 176.870 -0.824 0.000 1.073 39 L CA 2.628 57.087 54.840 -0.636 0.000 0.748 39 L CB -0.777 40.980 42.059 -0.502 0.000 0.891 39 L HN 0.294 nan 8.230 nan 0.000 0.431 40 S N -0.043 115.247 115.700 -0.684 0.000 2.359 40 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 40 S C 1.730 176.182 174.600 -0.247 0.000 1.035 40 S CA 1.729 59.667 58.200 -0.436 0.000 1.018 40 S CB -0.573 62.376 63.200 -0.418 0.000 0.876 40 S HN 0.564 nan 8.310 nan 0.000 0.448 41 N N 0.675 119.217 118.700 -0.263 0.000 2.381 41 N HA 0.117 4.857 4.740 -0.000 0.000 0.182 41 N C 1.559 176.951 175.510 -0.197 0.000 1.025 41 N CA 0.810 53.749 53.050 -0.186 0.000 0.888 41 N CB -0.178 38.206 38.487 -0.173 0.000 0.965 41 N HN 0.427 nan 8.380 nan 0.000 0.438 42 M N -1.283 118.135 119.600 -0.304 0.000 2.216 42 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 42 M C 1.390 177.611 176.300 -0.131 0.000 1.080 42 M CA 0.982 56.119 55.300 -0.273 0.000 1.153 42 M CB -0.363 31.998 32.600 -0.399 0.000 1.356 42 M HN 0.082 nan 8.290 nan 0.000 0.432 43 F N 0.302 120.154 119.950 -0.163 0.000 2.087 43 F HA -0.331 4.196 4.527 -0.000 0.000 0.299 43 F C 2.832 178.565 175.800 -0.111 0.000 1.100 43 F CA 1.424 59.341 58.000 -0.137 0.000 1.226 43 F CB -0.635 38.276 39.000 -0.148 0.000 0.983 43 F HN 0.184 nan 8.300 nan 0.000 0.479 44 T N -1.057 113.553 114.554 0.092 0.000 2.833 44 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 44 T C 1.759 176.447 174.700 -0.020 0.000 1.054 44 T CA 1.023 63.133 62.100 0.015 0.000 1.135 44 T CB -0.178 68.680 68.868 -0.016 0.000 0.869 44 T HN 0.146 nan 8.240 nan 0.000 0.466 45 Q N 0.158 119.934 119.800 -0.041 0.000 2.515 45 Q HA 0.053 4.393 4.340 -0.000 0.000 0.212 45 Q C 1.622 177.592 176.000 -0.050 0.000 0.970 45 Q CA 0.231 55.998 55.803 -0.062 0.000 0.941 45 Q CB 0.051 28.735 28.738 -0.091 0.000 0.998 45 Q HN 0.389 nan 8.270 nan 0.000 0.518 46 L N -0.782 120.432 121.223 -0.014 0.000 2.130 46 L HA 0.086 4.426 4.340 -0.000 0.000 0.200 46 L C 1.392 178.234 176.870 -0.046 0.000 1.075 46 L CA 0.970 55.819 54.840 0.016 0.000 0.768 46 L CB -0.774 41.339 42.059 0.090 0.000 0.933 46 L HN -0.045 nan 8.230 nan 0.000 0.451 55 S N -0.560 115.128 115.700 -0.021 0.000 2.402 55 S HA -0.023 4.447 4.470 -0.000 0.000 0.229 55 S C 0.631 175.217 174.600 -0.024 0.000 1.021 55 S CA 1.353 59.548 58.200 -0.008 0.000 0.974 55 S CB 0.322 63.517 63.200 -0.007 0.000 0.800 55 S HN 0.691 nan 8.310 nan 0.000 0.484 56 D N 1.173 121.534 120.400 -0.065 0.000 2.542 56 D HA 0.408 5.048 4.640 -0.000 0.000 0.252 56 D C -2.522 173.660 176.300 -0.197 0.000 1.222 56 D CA -2.162 51.781 54.000 -0.096 0.000 0.895 56 D CB 2.097 42.855 40.800 -0.071 0.000 1.207 56 D HN -0.108 nan 8.370 nan 0.000 0.558 57 P HA 0.047 nan 4.420 nan 0.000 0.223 57 P C 1.296 178.285 177.300 -0.519 0.000 1.151 57 P CA 0.555 63.251 63.100 -0.674 0.000 0.787 57 P CB 0.487 31.504 31.700 -1.138 0.000 0.788 58 R N -0.504 119.816 120.500 -0.300 0.000 2.091 58 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 58 R C 2.025 178.220 176.300 -0.174 0.000 1.136 58 R CA 1.303 57.278 56.100 -0.208 0.000 0.959 58 R CB -1.378 28.866 30.300 -0.094 0.000 0.856 58 R HN 0.091 nan 8.270 nan 0.000 0.437 59 V N 1.944 121.773 119.914 -0.142 0.000 2.214 59 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 59 V C -0.701 175.348 176.094 -0.075 0.000 1.051 59 V CA 2.325 64.573 62.300 -0.086 0.000 1.003 59 V CB -1.270 30.512 31.823 -0.068 0.000 0.635 59 V HN 0.328 nan 8.190 nan 0.000 0.447 60 P HA -0.175 nan 4.420 nan 0.000 0.215 60 P C 1.949 179.221 177.300 -0.047 0.000 1.153 60 P CA 1.509 64.580 63.100 -0.048 0.000 0.853 60 P CB -0.079 31.574 31.700 -0.079 0.000 0.788 61 L N -0.016 121.094 121.223 -0.188 0.000 2.042 61 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 61 L C 2.982 179.797 176.870 -0.092 0.000 1.076 61 L CA 1.821 56.498 54.840 -0.272 0.000 0.749 61 L CB -1.667 39.997 42.059 -0.658 0.000 0.893 61 L HN -0.020 nan 8.230 nan 0.000 0.432 62 Q N -1.454 118.327 119.800 -0.033 0.000 1.993 62 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 62 Q C 2.005 178.086 176.000 0.135 0.000 0.984 62 Q CA 2.463 58.327 55.803 0.102 0.000 0.837 62 Q CB -0.143 28.631 28.738 0.060 0.000 0.902 62 Q HN 0.460 nan 8.270 nan 0.000 0.423 63 T N 1.458 116.075 114.554 0.105 0.000 2.685 63 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 63 T C 1.605 176.421 174.700 0.194 0.000 1.034 63 T CA 1.607 63.800 62.100 0.156 0.000 1.149 63 T CB -0.255 68.706 68.868 0.155 0.000 0.860 63 T HN 0.322 nan 8.240 nan 0.000 0.449 64 M N 1.048 120.711 119.600 0.105 0.000 2.086 64 M HA -0.083 4.396 4.480 -0.000 0.000 0.261 64 M C 2.374 178.723 176.300 0.082 0.000 1.067 64 M CA 1.669 56.865 55.300 -0.173 0.000 1.116 64 M CB -0.878 31.496 32.600 -0.377 0.000 1.348 64 M HN 0.154 nan 8.290 nan 0.000 0.407 65 S N 1.447 117.272 115.700 0.208 0.000 2.359 65 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 65 S C 1.568 176.421 174.600 0.422 0.000 1.035 65 S CA 1.515 59.923 58.200 0.346 0.000 1.018 65 S CB -0.480 62.959 63.200 0.398 0.000 0.876 65 S HN 0.536 nan 8.310 nan 0.000 0.448 66 N N 1.354 120.294 118.700 0.400 0.000 2.043 66 N HA -0.065 4.675 4.740 -0.000 0.000 0.193 66 N C 1.681 177.384 175.510 0.321 0.000 1.037 66 N CA 1.199 54.505 53.050 0.426 0.000 0.851 66 N CB -0.438 38.219 38.487 0.283 0.000 1.027 66 N HN 0.375 nan 8.380 nan 0.000 0.422 67 M N -0.368 119.412 119.600 0.302 0.000 2.267 67 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 67 M C 1.806 178.166 176.300 0.101 0.000 1.063 67 M CA 1.029 56.510 55.300 0.302 0.000 1.090 67 M CB -0.154 32.754 32.600 0.513 0.000 1.392 67 M HN 0.064 nan 8.290 nan 0.000 0.422 68 F N 0.144 120.033 119.950 -0.103 0.000 2.098 68 F HA -0.126 4.401 4.527 -0.000 0.000 0.294 68 F C 1.962 177.655 175.800 -0.179 0.000 1.107 68 F CA 1.313 59.046 58.000 -0.446 0.000 1.234 68 F CB -0.635 38.284 39.000 -0.135 0.000 1.002 68 F HN -0.223 nan 8.300 nan 0.000 0.472 69 V N 0.808 120.605 119.914 -0.196 0.000 2.282 69 V HA -0.364 3.756 4.120 -0.000 0.000 0.249 69 V C 2.705 178.665 176.094 -0.223 0.000 1.057 69 V CA 2.369 64.486 62.300 -0.305 0.000 1.032 69 V CB -1.456 30.127 31.823 -0.401 0.000 0.645 69 V HN 0.625 nan 8.190 nan 0.000 0.447 70 S N -0.737 114.925 115.700 -0.064 0.000 2.500 70 S HA -0.176 4.294 4.470 -0.000 0.000 0.239 70 S C 1.734 176.290 174.600 -0.072 0.000 0.989 70 S CA 1.630 59.816 58.200 -0.022 0.000 0.951 70 S CB -0.568 62.677 63.200 0.075 0.000 0.759 70 S HN 0.640 nan 8.310 nan 0.000 0.523 71 F N 1.276 121.011 119.950 -0.359 0.000 2.222 71 F HA 0.368 4.895 4.527 -0.000 0.000 0.285 71 F C 1.692 177.241 175.800 -0.418 0.000 1.068 71 F CA 0.112 57.897 58.000 -0.360 0.000 1.265 71 F CB -0.470 38.224 39.000 -0.510 0.000 1.087 71 F HN 0.208 nan 8.300 nan 0.000 0.511 72 I N 0.356 120.521 120.570 -0.674 0.000 2.700 72 I HA -0.159 4.011 4.170 -0.000 0.000 0.261 72 I C 2.007 177.748 176.117 -0.627 0.000 1.219 72 I CA 1.510 62.346 61.300 -0.773 0.000 1.463 72 I CB -0.824 36.648 38.000 -0.880 0.000 1.092 72 I HN 0.302 nan 8.210 nan 0.000 0.452 73 T N -1.424 112.828 114.554 -0.504 0.000 3.129 73 T HA 0.117 4.467 4.350 -0.000 0.000 0.251 73 T C 0.646 175.139 174.700 -0.345 0.000 1.117 73 T CA 0.487 62.336 62.100 -0.418 0.000 1.034 73 T CB -0.249 68.458 68.868 -0.269 0.000 0.968 73 T HN 0.285 nan 8.240 nan 0.000 0.526 74 S N 0.170 115.646 115.700 -0.373 0.000 2.718 74 S HA 0.308 4.778 4.470 -0.000 0.000 0.294 74 S C 1.269 175.681 174.600 -0.313 0.000 1.157 74 S CA -0.587 57.442 58.200 -0.286 0.000 1.121 74 S CB 0.905 63.985 63.200 -0.201 0.000 1.015 74 S HN 0.297 nan 8.310 nan 0.000 0.479 75 T N 3.372 117.770 114.554 -0.260 0.000 2.680 75 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 75 T C 1.168 175.760 174.700 -0.179 0.000 1.033 75 T CA 2.043 64.007 62.100 -0.226 0.000 1.152 75 T CB -0.440 68.328 68.868 -0.166 0.000 0.859 75 T HN 0.692 nan 8.240 nan 0.000 0.452 76 D N 0.691 121.009 120.400 -0.136 0.000 2.182 76 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 76 D C 2.330 178.591 176.300 -0.065 0.000 0.986 76 D CA 1.078 55.029 54.000 -0.081 0.000 0.847 76 D CB -0.079 40.687 40.800 -0.056 0.000 0.942 76 D HN 0.469 nan 8.370 nan 0.000 0.467 77 R N 0.185 120.608 120.500 -0.129 0.000 2.041 77 R HA 0.025 4.365 4.340 -0.000 0.000 0.221 77 R C 2.603 178.826 176.300 -0.129 0.000 1.196 77 R CA 1.111 57.164 56.100 -0.078 0.000 0.969 77 R CB -0.554 29.691 30.300 -0.091 0.000 0.858 77 R HN 0.266 nan 8.270 nan 0.000 0.444 78 C N 0.591 119.508 119.300 -0.638 0.000 2.525 78 C HA 0.248 4.708 4.460 -0.000 0.000 0.279 78 C C 2.217 177.011 174.990 -0.326 0.000 1.437 78 C CA -0.609 58.013 59.018 -0.660 0.000 1.704 78 C CB -1.538 25.471 27.740 -1.217 0.000 1.672 78 C HN 0.565 nan 8.230 nan 0.000 0.582 79 G N 1.542 110.241 108.800 -0.169 0.000 2.476 79 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 79 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 79 G C 1.271 176.115 174.900 -0.095 0.000 1.164 79 G CA 1.368 46.394 45.100 -0.124 0.000 0.768 79 G HN 0.864 nan 8.290 nan 0.000 0.560 80 Y N 0.105 120.356 120.300 -0.082 0.000 2.228 80 Y HA -0.119 4.431 4.550 -0.000 0.000 0.285 80 Y C 2.577 178.409 175.900 -0.112 0.000 1.178 80 Y CA 1.761 59.845 58.100 -0.027 0.000 1.202 80 Y CB -0.311 38.183 38.460 0.057 0.000 0.974 80 Y HN 0.192 nan 8.280 nan 0.000 0.527 81 M N 0.185 119.057 119.600 -1.213 0.000 2.319 81 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 81 M C 1.606 177.533 176.300 -0.622 0.000 1.068 81 M CA 1.144 55.492 55.300 -1.586 0.000 1.118 81 M CB -0.128 31.411 32.600 -1.768 0.000 1.395 81 M HN 0.390 nan 8.290 nan 0.000 0.435 82 L N -0.944 120.083 121.223 -0.326 0.000 2.591 82 L HA 0.076 4.416 4.340 -0.000 0.000 0.228 82 L C 1.278 178.100 176.870 -0.081 0.000 1.133 82 L CA -0.066 54.715 54.840 -0.099 0.000 0.880 82 L CB -0.443 41.529 42.059 -0.145 0.000 1.033 82 L HN 0.198 nan 8.230 nan 0.000 0.450 83 R N 0.918 121.397 120.500 -0.036 0.000 2.679 83 R HA 0.001 4.341 4.340 -0.000 0.000 0.269 83 R C 1.454 177.735 176.300 -0.031 0.000 1.076 83 R CA 0.045 56.121 56.100 -0.040 0.000 1.160 83 R CB 0.799 31.121 30.300 0.037 0.000 1.054 83 R HN -0.083 nan 8.270 nan 0.000 0.507 84 K N 0.302 120.558 120.400 -0.240 0.000 2.063 84 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 84 K C 1.382 178.020 176.600 0.064 0.000 1.048 84 K CA 2.227 58.301 56.287 -0.355 0.000 0.928 84 K CB 0.040 32.251 32.500 -0.482 0.000 0.713 84 K HN 0.660 nan 8.250 nan 0.000 0.442 85 T N -0.112 114.510 114.554 0.112 0.000 2.746 85 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 85 T C 1.157 176.027 174.700 0.284 0.000 1.039 85 T CA 1.341 63.551 62.100 0.183 0.000 1.142 85 T CB -0.511 68.450 68.868 0.155 0.000 0.866 85 T HN 0.497 nan 8.240 nan 0.000 0.444 86 W N 1.135 122.540 121.300 0.176 0.000 2.290 86 W HA -0.238 4.422 4.660 -0.000 0.000 0.311 86 W C 1.835 178.467 176.519 0.189 0.000 1.238 86 W CA 1.056 58.504 57.345 0.172 0.000 1.255 86 W CB -0.712 28.806 29.460 0.097 0.000 1.145 86 W HN 0.273 nan 8.180 nan 0.000 0.506 87 F N 0.917 120.981 119.950 0.189 0.000 2.187 87 F HA -0.116 4.411 4.527 -0.000 0.000 0.295 87 F C 2.024 177.800 175.800 -0.041 0.000 1.091 87 F CA 2.158 60.151 58.000 -0.011 0.000 1.308 87 F CB -0.611 38.618 39.000 0.381 0.000 1.030 87 F HN -0.227 nan 8.300 nan 0.000 0.487 88 N N -0.122 118.790 118.700 0.352 0.000 2.106 88 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 88 N C 0.344 175.892 175.510 0.063 0.000 1.029 88 N CA 1.281 54.465 53.050 0.222 0.000 0.848 88 N CB -0.183 38.422 38.487 0.196 0.000 1.007 88 N HN 0.290 nan 8.380 nan 0.000 0.423 89 S N -1.295 114.421 115.700 0.026 0.000 2.638 89 S HA 0.364 4.834 4.470 -0.000 0.000 0.302 89 S C -0.423 174.143 174.600 -0.057 0.000 1.096 89 S CA -0.920 57.276 58.200 -0.007 0.000 0.953 89 S CB 1.923 65.144 63.200 0.035 0.000 1.107 89 S HN -0.026 nan 8.310 nan 0.000 0.503 90 D N 1.149 121.526 120.400 -0.038 0.000 2.370 90 D HA 0.119 4.759 4.640 -0.000 0.000 0.230 90 D C 0.100 176.410 176.300 0.017 0.000 1.143 90 D CA 0.330 54.309 54.000 -0.034 0.000 0.834 90 D CB 0.257 41.040 40.800 -0.028 0.000 0.944 90 D HN 0.515 nan 8.370 nan 0.000 0.504 91 T N 0.924 115.502 114.554 0.040 0.000 2.901 91 T HA -0.015 4.335 4.350 -0.000 0.000 0.301 91 T C 0.232 175.000 174.700 0.112 0.000 1.012 91 T CA -0.387 61.756 62.100 0.071 0.000 1.135 91 T CB 0.840 69.756 68.868 0.079 0.000 0.936 91 T HN -0.003 nan 8.240 nan 0.000 0.539 92 K N 5.263 125.721 120.400 0.096 0.000 2.491 92 K HA 0.081 4.401 4.320 -0.000 0.000 0.279 92 K C -2.298 174.383 176.600 0.135 0.000 1.026 92 K CA -0.913 55.437 56.287 0.106 0.000 1.070 92 K CB 0.113 32.653 32.500 0.067 0.000 0.887 92 K HN 0.333 nan 8.250 nan 0.000 0.481 93 P HA 0.069 nan 4.420 nan 0.000 0.282 93 P C -0.055 177.271 177.300 0.043 0.000 1.249 93 P CA -0.525 62.667 63.100 0.153 0.000 0.806 93 P CB 1.417 33.205 31.700 0.146 0.000 0.984 94 T N 0.580 115.153 114.554 0.031 0.000 3.067 94 T HA 0.073 4.423 4.350 -0.000 0.000 0.257 94 T C 0.575 175.251 174.700 -0.040 0.000 1.105 94 T CA 0.203 62.308 62.100 0.008 0.000 1.104 94 T CB -0.140 68.748 68.868 0.033 0.000 0.925 94 T HN 0.064 nan 8.240 nan 0.000 0.498 95 V N 2.301 122.140 119.914 -0.126 0.000 2.655 95 V HA 0.280 4.400 4.120 -0.000 0.000 0.300 95 V C 0.504 176.528 176.094 -0.116 0.000 1.044 95 V CA -0.073 62.129 62.300 -0.163 0.000 1.095 95 V CB 1.305 32.898 31.823 -0.383 0.000 0.952 95 V HN 0.298 nan 8.190 nan 0.000 0.485 96 S N 3.628 119.300 115.700 -0.047 0.000 2.542 96 S HA 0.287 4.756 4.470 -0.000 0.000 0.245 96 S C -0.839 173.773 174.600 0.019 0.000 1.325 96 S CA -0.689 57.499 58.200 -0.020 0.000 1.176 96 S CB -0.062 63.131 63.200 -0.011 0.000 1.045 96 S HN 0.913 nan 8.310 nan 0.000 0.481 97 D N 2.736 123.160 120.400 0.041 0.000 2.646 97 D HA 0.178 4.818 4.640 -0.000 0.000 0.245 97 D C 0.568 176.914 176.300 0.077 0.000 1.099 97 D CA -0.473 53.593 54.000 0.109 0.000 0.849 97 D CB 1.788 42.730 40.800 0.237 0.000 1.448 97 D HN 0.581 nan 8.370 nan 0.000 0.489 98 D N 2.792 123.243 120.400 0.085 0.000 2.264 98 D HA -0.185 4.454 4.640 -0.000 0.000 0.208 98 D C 1.641 177.965 176.300 0.041 0.000 0.966 98 D CA 0.286 54.310 54.000 0.041 0.000 0.864 98 D CB -0.354 40.471 40.800 0.042 0.000 0.933 98 D HN 0.410 nan 8.370 nan 0.000 0.499 99 F N 1.669 121.612 119.950 -0.011 0.000 2.134 99 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 99 F C 2.211 177.957 175.800 -0.090 0.000 1.097 99 F CA 0.946 58.943 58.000 -0.005 0.000 1.264 99 F CB -0.249 38.671 39.000 -0.133 0.000 1.001 99 F HN -0.188 nan 8.300 nan 0.000 0.479 100 I N -0.210 120.251 120.570 -0.181 0.000 2.179 100 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 100 I C 2.284 178.224 176.117 -0.294 0.000 1.088 100 I CA 1.896 63.027 61.300 -0.282 0.000 1.357 100 I CB -0.814 37.147 38.000 -0.066 0.000 1.051 100 I HN 0.159 nan 8.210 nan 0.000 0.409 101 T N -0.024 114.415 114.554 -0.191 0.000 2.746 101 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 101 T C 1.858 176.404 174.700 -0.256 0.000 1.039 101 T CA 2.026 64.020 62.100 -0.177 0.000 1.142 101 T CB -0.320 68.479 68.868 -0.114 0.000 0.866 101 T HN 0.381 nan 8.240 nan 0.000 0.444 102 T N 0.693 115.045 114.554 -0.336 0.000 2.643 102 T HA -0.061 4.289 4.350 -0.000 0.000 0.264 102 T C 1.560 175.849 174.700 -0.684 0.000 1.045 102 T CA 1.410 63.192 62.100 -0.530 0.000 1.155 102 T CB -0.369 68.099 68.868 -0.667 0.000 0.863 102 T HN 0.514 nan 8.240 nan 0.000 0.420 103 Y N -0.472 119.525 120.300 -0.506 0.000 2.522 103 Y HA 0.400 4.950 4.550 -0.000 0.000 0.277 103 Y C 0.492 176.132 175.900 -0.434 0.000 1.104 103 Y CA -0.648 57.168 58.100 -0.472 0.000 1.260 103 Y CB 0.280 38.389 38.460 -0.586 0.000 1.151 103 Y HN 0.062 nan 8.280 nan 0.000 0.539 104 I N 2.966 123.286 120.570 -0.417 0.000 2.301 104 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 104 I C -0.133 175.839 176.117 -0.242 0.000 1.046 104 I CA -0.322 60.735 61.300 -0.405 0.000 1.282 104 I CB 0.105 37.659 38.000 -0.743 0.000 1.409 104 I HN 0.162 nan 8.210 nan 0.000 0.484 105 R N 6.089 126.496 120.500 -0.155 0.000 2.753 105 R HA 0.482 4.822 4.340 -0.000 0.000 0.272 105 R C -3.196 173.068 176.300 -0.061 0.000 1.034 105 R CA -1.670 54.373 56.100 -0.094 0.000 0.869 105 R CB 0.804 31.041 30.300 -0.104 0.000 1.264 105 R HN 0.100 nan 8.270 nan 0.000 0.481 106 P HA -0.083 nan 4.420 nan 0.000 0.263 106 P C -0.540 176.733 177.300 -0.044 0.000 1.168 106 P CA 0.020 63.105 63.100 -0.026 0.000 0.759 106 P CB 0.644 32.333 31.700 -0.019 0.000 0.782 107 R N 1.539 122.012 120.500 -0.046 0.000 2.573 107 R HA 0.265 4.605 4.340 -0.000 0.000 0.224 107 R C 0.666 176.924 176.300 -0.071 0.000 0.904 107 R CA -0.042 56.018 56.100 -0.067 0.000 0.995 107 R CB 0.074 30.325 30.300 -0.083 0.000 1.430 107 R HN 0.415 nan 8.270 nan 0.000 0.631 108 L N 2.817 124.004 121.223 -0.059 0.000 2.349 108 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 108 L C 0.811 177.657 176.870 -0.039 0.000 1.115 108 L CA -0.160 54.645 54.840 -0.058 0.000 0.820 108 L CB 0.956 42.986 42.059 -0.047 0.000 1.135 108 L HN 0.040 nan 8.230 nan 0.000 0.445 109 Q N 2.195 121.970 119.800 -0.042 0.000 2.474 109 Q HA 0.364 4.704 4.340 -0.000 0.000 0.256 109 Q C -1.125 174.864 176.000 -0.019 0.000 1.048 109 Q CA -0.042 55.741 55.803 -0.032 0.000 0.922 109 Q CB 1.416 30.133 28.738 -0.035 0.000 1.288 109 Q HN 0.476 nan 8.270 nan 0.000 0.484 110 V N 3.522 123.427 119.914 -0.015 0.000 3.048 110 V HA 0.344 4.464 4.120 -0.000 0.000 0.303 110 V C -1.954 174.135 176.094 -0.008 0.000 1.214 110 V CA -1.077 61.218 62.300 -0.008 0.000 0.984 110 V CB 2.103 33.923 31.823 -0.005 0.000 1.054 110 V HN 1.068 nan 8.190 nan 0.000 0.430 111 P HA -0.019 nan 4.420 nan 0.000 0.236 111 P C 1.388 178.687 177.300 -0.001 0.000 1.177 111 P CA 0.502 63.601 63.100 -0.002 0.000 0.773 111 P CB 0.165 31.864 31.700 -0.002 0.000 0.878 112 M N 1.512 121.109 119.600 -0.005 0.000 2.124 112 M HA -0.211 4.269 4.480 -0.000 0.000 0.253 112 M C 2.008 178.307 176.300 -0.002 0.000 1.077 112 M CA 1.995 57.292 55.300 -0.005 0.000 1.085 112 M CB -1.357 31.237 32.600 -0.010 0.000 1.320 112 M HN -0.169 nan 8.290 nan 0.000 0.404 113 S N -0.132 115.567 115.700 -0.002 0.000 2.402 113 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 113 S C 1.586 176.201 174.600 0.024 0.000 1.030 113 S CA 1.717 59.920 58.200 0.005 0.000 1.003 113 S CB -0.609 62.591 63.200 -0.000 0.000 0.813 113 S HN 0.663 nan 8.310 nan 0.000 0.477 114 D N 0.450 120.863 120.400 0.021 0.000 2.144 114 D HA -0.047 4.593 4.640 -0.000 0.000 0.207 114 D C 2.268 178.573 176.300 0.010 0.000 0.970 114 D CA 1.599 55.613 54.000 0.023 0.000 0.853 114 D CB -0.212 40.597 40.800 0.015 0.000 1.007 114 D HN 0.473 nan 8.370 nan 0.000 0.469 115 T N -1.665 112.891 114.554 0.003 0.000 2.969 115 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 115 T C 1.805 176.502 174.700 -0.005 0.000 1.127 115 T CA 0.896 62.994 62.100 -0.003 0.000 1.102 115 T CB -0.456 68.410 68.868 -0.003 0.000 0.855 115 T HN -0.054 nan 8.240 nan 0.000 0.536 116 V N 2.476 122.391 119.914 0.001 0.000 2.341 116 V HA -0.018 4.102 4.120 -0.000 0.000 0.240 116 V C 2.829 178.923 176.094 0.000 0.000 1.035 116 V CA 1.556 63.857 62.300 0.001 0.000 1.033 116 V CB -0.553 31.274 31.823 0.007 0.000 0.678 116 V HN 0.581 nan 8.190 nan 0.000 0.464 117 R N 0.448 120.957 120.500 0.015 0.000 2.249 117 R HA -0.176 4.164 4.340 -0.000 0.000 0.230 117 R C 1.943 178.229 176.300 -0.023 0.000 1.121 117 R CA 1.635 57.744 56.100 0.015 0.000 0.997 117 R CB -0.407 29.922 30.300 0.049 0.000 0.867 117 R HN 0.524 nan 8.270 nan 0.000 0.465 118 Q N 0.334 120.117 119.800 -0.028 0.000 2.061 118 Q HA 0.005 4.345 4.340 -0.000 0.000 0.195 118 Q C 1.851 177.805 176.000 -0.076 0.000 0.967 118 Q CA 0.788 56.560 55.803 -0.052 0.000 0.829 118 Q CB -0.002 28.717 28.738 -0.032 0.000 0.900 118 Q HN 0.268 nan 8.270 nan 0.000 0.450 119 L N 1.756 122.948 121.223 -0.050 0.000 2.349 119 L HA -0.187 4.153 4.340 -0.000 0.000 0.220 119 L C 1.745 178.576 176.870 -0.065 0.000 1.130 119 L CA 1.300 56.109 54.840 -0.051 0.000 0.791 119 L CB -0.536 41.507 42.059 -0.027 0.000 0.918 119 L HN 0.224 nan 8.230 nan 0.000 0.444 120 N N -0.299 118.363 118.700 -0.064 0.000 2.081 120 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 120 N C 1.546 176.989 175.510 -0.112 0.000 1.053 120 N CA 1.588 54.603 53.050 -0.059 0.000 0.846 120 N CB -0.276 38.194 38.487 -0.029 0.000 1.032 120 N HN 0.218 nan 8.380 nan 0.000 0.431 121 N N 0.398 118.996 118.700 -0.171 0.000 2.249 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.201 121 N C 1.385 176.671 175.510 -0.373 0.000 0.970 121 N CA 1.428 54.286 53.050 -0.320 0.000 0.925 121 N CB -0.624 37.533 38.487 -0.550 0.000 1.046 121 N HN 0.449 nan 8.380 nan 0.000 0.526 122 L N 0.707 121.753 121.223 -0.295 0.000 2.591 122 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 122 L C 0.635 177.473 176.870 -0.055 0.000 1.133 122 L CA -0.143 54.600 54.840 -0.162 0.000 0.880 122 L CB -0.335 41.655 42.059 -0.114 0.000 1.033 122 L HN 0.024 nan 8.230 nan 0.000 0.450 123 S N -0.134 115.537 115.700 -0.049 0.000 2.576 123 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 123 S C 1.277 175.881 174.600 0.006 0.000 1.339 123 S CA -0.659 57.533 58.200 -0.014 0.000 1.039 123 S CB 1.335 64.528 63.200 -0.011 0.000 0.902 123 S HN 0.142 nan 8.310 nan 0.000 0.516 124 L N 0.679 121.910 121.223 0.012 0.000 2.012 124 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 124 L C 1.195 178.078 176.870 0.021 0.000 1.073 124 L CA 1.444 56.296 54.840 0.019 0.000 0.748 124 L CB -0.454 41.614 42.059 0.015 0.000 0.891 124 L HN 0.712 nan 8.230 nan 0.000 0.431 125 Q N -0.416 119.395 119.800 0.019 0.000 2.798 125 Q HA 0.318 4.658 4.340 -0.000 0.000 0.250 125 Q C -2.216 173.800 176.000 0.027 0.000 1.006 125 Q CA -1.503 54.313 55.803 0.023 0.000 0.759 125 Q CB 1.370 30.119 28.738 0.018 0.000 1.201 125 Q HN 0.105 nan 8.270 nan 0.000 0.486 126 P HA 0.054 nan 4.420 nan 0.000 0.274 126 P C -0.286 177.044 177.300 0.050 0.000 1.260 126 P CA -0.488 62.637 63.100 0.041 0.000 0.793 126 P CB 0.761 32.490 31.700 0.048 0.000 1.048 127 S N -0.506 115.230 115.700 0.060 0.000 2.549 127 S HA 0.285 4.755 4.470 -0.000 0.000 0.283 127 S C 1.348 175.995 174.600 0.079 0.000 1.320 127 S CA 0.059 58.299 58.200 0.067 0.000 1.058 127 S CB 0.076 63.324 63.200 0.080 0.000 0.882 127 S HN 0.456 nan 8.310 nan 0.000 0.498 128 A N 5.343 128.205 122.820 0.070 0.000 1.873 128 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 128 A C 0.824 178.467 177.584 0.099 0.000 1.186 128 A CA 1.155 53.237 52.037 0.075 0.000 0.616 128 A CB -0.068 18.966 19.000 0.057 0.000 0.823 128 A HN 0.649 nan 8.150 nan 0.000 0.442 129 K N 1.012 121.473 120.400 0.101 0.000 2.419 129 K HA 0.399 4.719 4.320 -0.000 0.000 0.244 129 K C -2.888 173.817 176.600 0.176 0.000 1.045 129 K CA -1.965 54.403 56.287 0.134 0.000 1.004 129 K CB 0.750 33.305 32.500 0.092 0.000 1.376 129 K HN 0.193 nan 8.250 nan 0.000 0.460 130 P HA 0.051 nan 4.420 nan 0.000 0.268 130 P C -0.091 177.381 177.300 0.286 0.000 1.208 130 P CA -0.109 63.118 63.100 0.211 0.000 0.777 130 P CB 0.797 32.610 31.700 0.189 0.000 0.875 131 K N 0.961 121.502 120.400 0.236 0.000 2.138 131 K HA 0.176 4.496 4.320 -0.000 0.000 0.251 131 K C 1.351 178.045 176.600 0.156 0.000 1.015 131 K CA -0.489 55.950 56.287 0.253 0.000 0.917 131 K CB 0.262 32.891 32.500 0.215 0.000 1.021 131 K HN 0.374 nan 8.250 nan 0.000 0.485 132 L N 1.014 122.250 121.223 0.022 0.000 2.201 132 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 132 L C 2.212 179.134 176.870 0.087 0.000 1.105 132 L CA 0.984 55.765 54.840 -0.098 0.000 0.775 132 L CB -0.433 41.447 42.059 -0.298 0.000 0.913 132 L HN 0.661 nan 8.230 nan 0.000 0.440 133 Y N 1.529 121.832 120.300 0.005 0.000 2.040 133 Y HA -0.394 4.156 4.550 -0.000 0.000 0.275 133 Y C 2.659 178.549 175.900 -0.017 0.000 1.171 133 Y CA 2.244 60.350 58.100 0.010 0.000 1.123 133 Y CB -0.464 38.004 38.460 0.014 0.000 0.963 133 Y HN 0.253 nan 8.280 nan 0.000 0.493 134 E N -0.189 119.968 120.200 -0.072 0.000 2.070 134 E HA -0.318 4.032 4.350 -0.000 0.000 0.197 134 E C 2.283 178.692 176.600 -0.318 0.000 1.004 134 E CA 1.995 58.268 56.400 -0.212 0.000 0.805 134 E CB -0.184 29.489 29.700 -0.045 0.000 0.744 134 E HN 0.539 nan 8.360 nan 0.000 0.451 135 R N 0.120 120.482 120.500 -0.230 0.000 2.073 135 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 135 R C 2.711 178.745 176.300 -0.443 0.000 1.134 135 R CA 1.842 57.676 56.100 -0.444 0.000 0.952 135 R CB -0.338 29.867 30.300 -0.159 0.000 0.850 135 R HN 0.303 nan 8.270 nan 0.000 0.433 136 Q N 0.431 120.174 119.800 -0.095 0.000 2.062 136 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 136 Q C 1.916 177.758 176.000 -0.262 0.000 0.996 136 Q CA 1.583 57.383 55.803 -0.005 0.000 0.859 136 Q CB -0.248 28.518 28.738 0.046 0.000 0.920 136 Q HN 0.366 nan 8.270 nan 0.000 0.415 137 N N 0.120 118.575 118.700 -0.407 0.000 2.104 137 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 137 N C 1.673 176.962 175.510 -0.367 0.000 1.024 137 N CA 1.391 54.191 53.050 -0.417 0.000 0.853 137 N CB -0.264 37.917 38.487 -0.509 0.000 1.008 137 N HN 0.258 nan 8.380 nan 0.000 0.424 138 A N 1.796 124.333 122.820 -0.472 0.000 1.835 138 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 138 A C 2.299 179.661 177.584 -0.369 0.000 1.199 138 A CA 0.993 52.748 52.037 -0.470 0.000 0.615 138 A CB -0.872 17.593 19.000 -0.891 0.000 0.838 138 A HN 0.216 nan 8.150 nan 0.000 0.444 139 I N -1.188 119.077 120.570 -0.509 0.000 2.399 139 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 139 I C 2.602 178.657 176.117 -0.104 0.000 1.146 139 I CA 1.944 63.033 61.300 -0.351 0.000 1.412 139 I CB -0.195 37.452 38.000 -0.589 0.000 1.076 139 I HN 0.518 nan 8.210 nan 0.000 0.432 140 M N -0.295 119.178 119.600 -0.212 0.000 2.906 140 M HA 0.009 4.489 4.480 -0.000 0.000 0.252 140 M C 1.763 177.912 176.300 -0.252 0.000 1.359 140 M CA 1.254 56.348 55.300 -0.344 0.000 1.239 140 M CB 0.337 32.595 32.600 -0.569 0.000 1.229 140 M HN -0.164 nan 8.290 nan 0.000 0.547 141 K N 0.056 120.323 120.400 -0.222 0.000 2.358 141 K HA 0.218 4.538 4.320 -0.000 0.000 0.197 141 K C 0.168 176.712 176.600 -0.094 0.000 1.025 141 K CA 0.492 56.689 56.287 -0.150 0.000 1.104 141 K CB 0.541 32.946 32.500 -0.159 0.000 0.855 141 K HN 0.600 nan 8.250 nan 0.000 0.531 142 G N 2.442 111.183 108.800 -0.100 0.000 2.351 142 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.297 142 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.297 142 G C -0.304 174.563 174.900 -0.055 0.000 1.054 142 G CA 0.006 45.073 45.100 -0.055 0.000 1.123 142 G HN 0.134 nan 8.290 nan 0.000 0.512 143 L N -0.041 121.120 121.223 -0.104 0.000 2.352 143 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 143 L C 0.544 177.382 176.870 -0.053 0.000 1.034 143 L CA -1.185 53.605 54.840 -0.084 0.000 0.806 143 L CB 0.926 42.906 42.059 -0.132 0.000 1.244 143 L HN 0.091 nan 8.230 nan 0.000 0.447 144 D N 1.457 121.854 120.400 -0.004 0.000 2.414 144 D HA 0.253 4.893 4.640 -0.000 0.000 0.242 144 D C -0.333 175.987 176.300 0.033 0.000 1.129 144 D CA 0.231 54.266 54.000 0.058 0.000 0.885 144 D CB 1.366 42.232 40.800 0.111 0.000 1.198 144 D HN 0.244 nan 8.370 nan 0.000 0.437 145 I N 2.717 123.348 120.570 0.101 0.000 2.664 145 I HA 0.250 4.420 4.170 -0.000 0.000 0.308 145 I C -2.177 174.016 176.117 0.126 0.000 0.984 145 I CA -2.553 58.804 61.300 0.096 0.000 1.213 145 I CB 1.793 39.902 38.000 0.182 0.000 1.379 145 I HN 0.115 nan 8.210 nan 0.000 0.501 146 P HA -0.003 nan 4.420 nan 0.000 0.263 146 P C -0.152 177.262 177.300 0.190 0.000 1.195 146 P CA 0.494 63.624 63.100 0.051 0.000 0.762 146 P CB 0.153 31.878 31.700 0.040 0.000 0.799 147 Y N 0.563 120.887 120.300 0.041 0.000 2.151 147 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 147 Y C 2.314 178.234 175.900 0.034 0.000 1.166 147 Y CA 0.834 58.956 58.100 0.037 0.000 1.163 147 Y CB -0.288 38.188 38.460 0.027 0.000 0.974 147 Y HN 0.308 nan 8.280 nan 0.000 0.511 148 S N -0.057 115.759 115.700 0.193 0.000 2.634 148 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 148 S C 0.213 174.868 174.600 0.093 0.000 0.952 148 S CA -0.317 57.952 58.200 0.115 0.000 0.930 148 S CB -0.470 62.780 63.200 0.083 0.000 0.780 148 S HN 0.307 nan 8.310 nan 0.000 0.498 149 E N 3.191 123.458 120.200 0.111 0.000 2.290 149 E HA 0.178 4.528 4.350 -0.000 0.000 0.277 149 E C -2.374 174.289 176.600 0.105 0.000 1.035 149 E CA -2.077 54.386 56.400 0.106 0.000 0.873 149 E CB 0.729 30.503 29.700 0.123 0.000 1.029 149 E HN 0.226 nan 8.360 nan 0.000 0.419 150 P HA 0.231 nan 4.420 nan 0.000 0.281 150 P C -0.802 176.564 177.300 0.110 0.000 1.249 150 P CA -0.368 62.794 63.100 0.103 0.000 0.810 150 P CB 0.899 32.652 31.700 0.088 0.000 1.008 151 I N -2.955 117.683 120.570 0.113 0.000 2.913 151 I HA 0.478 4.648 4.170 -0.000 0.000 0.302 151 I C -0.814 175.335 176.117 0.054 0.000 1.246 151 I CA -1.177 60.167 61.300 0.074 0.000 1.010 151 I CB 2.036 40.044 38.000 0.015 0.000 1.259 151 I HN 0.148 nan 8.210 nan 0.000 0.434 152 E N 5.298 125.507 120.200 0.015 0.000 2.152 152 E HA 0.248 4.598 4.350 -0.000 0.000 0.285 152 E C -1.872 174.674 176.600 -0.090 0.000 1.043 152 E CA -1.618 54.762 56.400 -0.033 0.000 0.839 152 E CB 0.959 30.658 29.700 -0.002 0.000 1.069 152 E HN 0.523 nan 8.360 nan 0.000 0.399 153 P HA -0.256 nan 4.420 nan 0.000 0.216 153 P C 1.547 178.817 177.300 -0.051 0.000 1.153 153 P CA 1.286 64.305 63.100 -0.135 0.000 0.858 153 P CB -0.137 31.376 31.700 -0.312 0.000 0.789 154 C N -0.654 118.614 119.300 -0.054 0.000 2.400 154 C HA -0.029 4.431 4.460 -0.000 0.000 0.291 154 C C 2.431 177.397 174.990 -0.041 0.000 1.372 154 C CA 0.385 59.380 59.018 -0.038 0.000 1.800 154 C CB -2.038 25.736 27.740 0.057 0.000 1.869 154 C HN 0.147 nan 8.230 nan 0.000 0.533 155 K N 0.378 120.756 120.400 -0.037 0.000 2.044 155 K HA 0.084 4.404 4.320 -0.000 0.000 0.204 155 K C 1.811 178.404 176.600 -0.011 0.000 1.049 155 K CA 0.890 57.171 56.287 -0.011 0.000 0.945 155 K CB -0.354 32.150 32.500 0.006 0.000 0.724 155 K HN 0.325 nan 8.250 nan 0.000 0.440 156 L N 0.947 122.097 121.223 -0.122 0.000 2.351 156 L HA -0.119 4.221 4.340 -0.000 0.000 0.220 156 L C 0.688 177.523 176.870 -0.060 0.000 1.127 156 L CA 0.927 55.706 54.840 -0.103 0.000 0.786 156 L CB -0.579 41.448 42.059 -0.053 0.000 0.914 156 L HN 0.048 nan 8.230 nan 0.000 0.443 157 F N 1.016 120.680 119.950 -0.476 0.000 2.572 157 F HA 0.213 4.740 4.527 -0.000 0.000 0.370 157 F C 0.838 176.315 175.800 -0.538 0.000 1.103 157 F CA 0.093 57.515 58.000 -0.963 0.000 1.286 157 F CB 0.085 38.520 39.000 -0.941 0.000 1.105 157 F HN -0.081 nan 8.300 nan 0.000 0.583 158 R N 2.735 122.290 120.500 -1.576 0.000 2.905 158 R HA 0.436 4.776 4.340 -0.000 0.000 0.260 158 R C -0.938 174.618 176.300 -1.240 0.000 1.086 158 R CA -1.155 54.395 56.100 -0.916 0.000 0.978 158 R CB 1.345 31.428 30.300 -0.362 0.000 1.215 158 R HN 0.570 nan 8.270 nan 0.000 0.480 159 S N 0.367 115.750 115.700 -0.530 0.000 2.562 159 S HA 0.547 5.017 4.470 -0.000 0.000 0.275 159 S C 0.306 174.828 174.600 -0.131 0.000 1.281 159 S CA -0.698 57.340 58.200 -0.270 0.000 1.045 159 S CB 1.067 64.217 63.200 -0.083 0.000 0.962 159 S HN 0.407 nan 8.310 nan 0.000 0.503 160 V N -0.637 119.270 119.914 -0.012 0.000 3.105 160 V HA 0.898 5.018 4.120 -0.000 0.000 0.311 160 V C 1.125 177.252 176.094 0.054 0.000 1.287 160 V CA -0.541 61.780 62.300 0.035 0.000 1.066 160 V CB 0.604 32.475 31.823 0.081 0.000 1.105 160 V HN 0.816 nan 8.190 nan 0.000 0.462 161 A N 0.822 123.667 122.820 0.042 0.000 1.891 161 A HA -0.146 4.174 4.320 -0.000 0.000 0.221 161 A C 2.138 179.757 177.584 0.059 0.000 1.394 161 A CA 3.563 55.624 52.037 0.040 0.000 0.730 161 A CB -1.823 17.194 19.000 0.029 0.000 0.845 161 A HN 1.962 nan 8.150 nan 0.000 0.471 162 G N -1.331 107.516 108.800 0.077 0.000 2.404 162 G HA2 0.040 4.000 3.960 -0.000 0.000 0.215 162 G HA3 0.040 4.000 3.960 -0.000 0.000 0.215 162 G C 0.961 175.932 174.900 0.119 0.000 1.174 162 G CA 0.837 45.992 45.100 0.092 0.000 0.780 162 G HN 0.682 nan 8.290 nan 0.000 0.537 163 Q N -0.286 119.615 119.800 0.169 0.000 2.256 163 Q HA 0.360 4.700 4.340 -0.000 0.000 0.254 163 Q C 1.105 177.223 176.000 0.196 0.000 0.916 163 Q CA -0.153 55.776 55.803 0.209 0.000 0.932 163 Q CB 1.812 30.748 28.738 0.331 0.000 1.207 163 Q HN 0.199 nan 8.270 nan 0.000 0.426 164 T N 1.211 115.856 114.554 0.153 0.000 2.732 164 T HA 0.087 4.437 4.350 -0.000 0.000 0.261 164 T C 0.643 175.459 174.700 0.194 0.000 1.040 164 T CA 1.319 63.493 62.100 0.123 0.000 1.145 164 T CB 0.117 69.031 68.868 0.076 0.000 0.866 164 T HN 0.726 nan 8.240 nan 0.000 0.427 165 G N -0.661 108.275 108.800 0.225 0.000 2.975 165 G HA2 0.462 4.422 3.960 -0.000 0.000 0.291 165 G HA3 0.462 4.422 3.960 -0.000 0.000 0.291 165 G C 0.044 174.937 174.900 -0.011 0.000 1.334 165 G CA 0.053 45.326 45.100 0.288 0.000 0.843 165 G HN 0.263 nan 8.290 nan 0.000 0.548 166 N N -1.479 116.940 118.700 -0.468 0.000 2.652 166 N HA 0.084 4.824 4.740 -0.000 0.000 0.226 166 N C 2.086 177.477 175.510 -0.198 0.000 1.023 166 N CA 0.281 52.900 53.050 -0.719 0.000 1.126 166 N CB -0.095 37.590 38.487 -1.336 0.000 1.476 166 N HN 0.241 nan 8.380 nan 0.000 0.537 167 I N 2.232 122.689 120.570 -0.189 0.000 2.335 167 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 167 I C -1.039 175.049 176.117 -0.049 0.000 1.129 167 I CA 1.057 62.277 61.300 -0.134 0.000 1.402 167 I CB -1.174 36.651 38.000 -0.292 0.000 1.069 167 I HN 0.382 nan 8.210 nan 0.000 0.424 168 P HA -0.158 nan 4.420 nan 0.000 0.217 168 P C 1.772 179.058 177.300 -0.025 0.000 1.150 168 P CA 1.328 64.408 63.100 -0.034 0.000 0.832 168 P CB -0.128 31.559 31.700 -0.022 0.000 0.787 169 M N -1.289 118.286 119.600 -0.042 0.000 2.435 169 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 169 M C 2.244 178.473 176.300 -0.119 0.000 1.065 169 M CA 1.100 56.345 55.300 -0.093 0.000 1.076 169 M CB -1.188 31.316 32.600 -0.159 0.000 1.403 169 M HN 0.068 nan 8.290 nan 0.000 0.454 170 M N -0.079 119.524 119.600 0.005 0.000 2.065 170 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 170 M C 2.025 178.332 176.300 0.012 0.000 1.069 170 M CA 2.182 57.542 55.300 0.100 0.000 1.110 170 M CB -0.611 32.129 32.600 0.232 0.000 1.328 170 M HN 0.312 nan 8.290 nan 0.000 0.405 171 G N 0.324 109.123 108.800 -0.003 0.000 2.462 171 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 171 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 171 G C 1.393 176.276 174.900 -0.029 0.000 1.121 171 G CA 0.970 46.062 45.100 -0.013 0.000 0.758 171 G HN 0.525 nan 8.290 nan 0.000 0.559 172 I N 0.000 120.541 120.570 -0.049 0.000 2.277 172 I HA -0.013 4.157 4.170 -0.000 0.000 0.243 172 I C 2.410 178.473 176.117 -0.090 0.000 1.094 172 I CA 0.499 61.764 61.300 -0.058 0.000 1.393 172 I CB -0.157 37.809 38.000 -0.057 0.000 1.078 172 I HN 0.078 nan 8.210 nan 0.000 0.417 173 L N 0.739 121.866 121.223 -0.160 0.000 2.549 173 L HA -0.137 4.203 4.340 -0.000 0.000 0.230 173 L C 2.325 179.119 176.870 -0.127 0.000 1.162 173 L CA 0.733 55.435 54.840 -0.231 0.000 0.834 173 L CB -0.527 41.267 42.059 -0.441 0.000 0.947 173 L HN 0.232 nan 8.230 nan 0.000 0.452 174 A N -1.579 121.200 122.820 -0.069 0.000 2.220 174 A HA 0.124 4.444 4.320 -0.000 0.000 0.211 174 A C 1.005 178.576 177.584 -0.022 0.000 1.176 174 A CA 0.141 52.159 52.037 -0.031 0.000 0.834 174 A CB -0.085 18.910 19.000 -0.009 0.000 0.868 174 A HN 0.236 nan 8.150 nan 0.000 0.488 175 T N 2.960 117.498 114.554 -0.027 0.000 2.743 175 T HA 0.444 4.794 4.350 -0.000 0.000 0.293 175 T C -2.674 172.020 174.700 -0.010 0.000 0.945 175 T CA -1.034 61.057 62.100 -0.015 0.000 1.030 175 T CB 1.099 69.959 68.868 -0.013 0.000 0.912 175 T HN 0.054 nan 8.240 nan 0.000 0.483 176 P HA 0.094 nan 4.420 nan 0.000 0.264 176 P C -2.138 175.166 177.300 0.008 0.000 1.179 176 P CA -0.848 62.255 63.100 0.004 0.000 0.763 176 P CB -0.177 31.528 31.700 0.007 0.000 0.806 177 P HA 0.136 nan 4.420 nan 0.000 0.276 177 P C -0.308 177.005 177.300 0.022 0.000 1.244 177 P CA -0.238 62.875 63.100 0.021 0.000 0.801 177 P CB 1.171 32.891 31.700 0.033 0.000 1.006 178 A N 1.179 124.013 122.820 0.023 0.000 1.956 178 A HA 0.539 4.859 4.320 -0.000 0.000 0.212 178 A C 0.993 178.592 177.584 0.025 0.000 1.188 178 A CA 1.325 53.374 52.037 0.021 0.000 0.675 178 A CB -0.440 18.571 19.000 0.019 0.000 0.845 178 A HN 0.805 nan 8.150 nan 0.000 0.455 179 A N -1.498 121.341 122.820 0.031 0.000 2.564 179 A HA 0.552 4.872 4.320 -0.000 0.000 0.291 179 A C -0.705 176.906 177.584 0.045 0.000 1.102 179 A CA -0.316 51.742 52.037 0.035 0.000 0.660 179 A CB 0.011 19.029 19.000 0.031 0.000 1.283 179 A HN 0.239 nan 8.150 nan 0.000 0.430 180 Q N 0.762 120.593 119.800 0.051 0.000 2.239 180 Q HA 0.132 4.472 4.340 -0.000 0.000 0.286 180 Q C 0.145 176.182 176.000 0.062 0.000 1.102 180 Q CA 0.668 56.510 55.803 0.065 0.000 0.936 180 Q CB 0.218 28.999 28.738 0.072 0.000 1.127 180 Q HN 0.641 nan 8.270 nan 0.000 0.380 181 Q N 2.085 121.927 119.800 0.070 0.000 2.214 181 Q HA 0.235 4.575 4.340 -0.000 0.000 0.168 181 Q C -0.372 175.670 176.000 0.070 0.000 1.047 181 Q CA -0.509 55.335 55.803 0.069 0.000 1.102 181 Q CB 0.778 29.563 28.738 0.078 0.000 1.458 181 Q HN 0.641 nan 8.270 nan 0.000 0.561 182 Q N 0.355 120.201 119.800 0.076 0.000 2.204 182 Q HA 0.395 4.735 4.340 -0.000 0.000 0.254 182 Q C -2.284 173.767 176.000 0.085 0.000 0.981 182 Q CA -1.988 53.853 55.803 0.063 0.000 0.897 182 Q CB 0.567 29.341 28.738 0.060 0.000 1.273 182 Q HN 0.320 nan 8.270 nan 0.000 0.464 183 P HA -0.062 nan 4.420 nan 0.000 0.262 183 P C -1.121 176.267 177.300 0.146 0.000 1.182 183 P CA 0.396 63.516 63.100 0.034 0.000 0.761 183 P CB 0.074 31.749 31.700 -0.042 0.000 0.795 184 F N 1.472 121.511 119.950 0.148 0.000 2.492 184 F HA 0.728 5.255 4.527 -0.000 0.000 0.327 184 F C -1.192 174.725 175.800 0.195 0.000 1.079 184 F CA -1.806 56.269 58.000 0.126 0.000 0.967 184 F CB 1.181 40.177 39.000 -0.006 0.000 1.169 184 F HN 0.177 nan 8.300 nan 0.000 0.472 185 F N 4.478 124.673 119.950 0.407 0.000 2.959 185 F HA 0.532 5.059 4.527 -0.000 0.000 0.379 185 F C -0.872 175.201 175.800 0.454 0.000 1.215 185 F CA -0.856 57.363 58.000 0.364 0.000 1.190 185 F CB 1.149 40.301 39.000 0.253 0.000 1.574 185 F HN 0.673 nan 8.300 nan 0.000 0.575 186 V N 1.271 121.519 119.914 0.557 0.000 3.193 186 V HA 1.007 5.127 4.120 -0.000 0.000 0.320 186 V C -0.395 176.011 176.094 0.520 0.000 1.112 186 V CA -0.656 61.870 62.300 0.377 0.000 1.026 186 V CB 1.480 33.234 31.823 -0.115 0.000 1.128 186 V HN 0.678 nan 8.190 nan 0.000 0.452 187 A N 0.513 123.601 122.820 0.446 0.000 2.515 187 A HA 0.809 5.129 4.320 -0.000 0.000 0.298 187 A C -0.588 177.135 177.584 0.231 0.000 1.059 187 A CA -0.702 51.532 52.037 0.328 0.000 0.698 187 A CB 1.736 20.912 19.000 0.293 0.000 1.289 187 A HN 0.945 nan 8.150 nan 0.000 0.404 188 E N -0.091 120.087 120.200 -0.038 0.000 2.672 188 E HA 0.428 4.778 4.350 -0.000 0.000 0.235 188 E C 0.687 177.136 176.600 -0.252 0.000 0.906 188 E CA -0.940 55.195 56.400 -0.443 0.000 0.973 188 E CB 0.954 30.218 29.700 -0.727 0.000 1.478 188 E HN 0.603 nan 8.360 nan 0.000 0.430 189 R N 0.356 120.665 120.500 -0.318 0.000 2.062 189 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 189 R C 1.853 178.081 176.300 -0.119 0.000 1.125 189 R CA 0.983 57.003 56.100 -0.132 0.000 0.966 189 R CB 0.101 30.351 30.300 -0.083 0.000 0.861 189 R HN 0.199 nan 8.270 nan 0.000 0.433 190 R N 0.554 120.982 120.500 -0.120 0.000 2.509 190 R HA 0.102 4.442 4.340 -0.000 0.000 0.300 190 R C -0.710 175.639 176.300 0.081 0.000 0.985 190 R CA -0.057 56.044 56.100 0.001 0.000 1.092 190 R CB 0.413 30.732 30.300 0.032 0.000 1.237 190 R HN 0.082 nan 8.270 nan 0.000 0.546 191 R N -0.876 119.586 120.500 -0.064 0.000 2.664 191 R HA 0.296 4.636 4.340 -0.000 0.000 0.266 191 R C -1.443 174.835 176.300 -0.037 0.000 1.046 191 R CA -0.930 55.204 56.100 0.057 0.000 0.885 191 R CB 0.671 31.049 30.300 0.129 0.000 1.254 191 R HN -0.149 nan 8.270 nan 0.000 0.465 192 I N 3.062 123.703 120.570 0.119 0.000 2.336 192 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 192 I C -0.267 175.897 176.117 0.078 0.000 0.991 192 I CA -0.862 60.545 61.300 0.178 0.000 1.227 192 I CB 1.423 39.642 38.000 0.366 0.000 1.366 192 I HN 0.549 nan 8.210 nan 0.000 0.466 193 L N 7.752 129.018 121.223 0.072 0.000 2.341 193 L HA 0.554 4.894 4.340 -0.000 0.000 0.278 193 L C -0.872 175.866 176.870 -0.219 0.000 1.005 193 L CA -0.770 54.013 54.840 -0.095 0.000 0.818 193 L CB 1.737 43.841 42.059 0.075 0.000 1.259 193 L HN 0.468 nan 8.230 nan 0.000 0.418 194 F N 0.775 120.375 119.950 -0.583 0.000 2.619 194 F HA 0.980 5.507 4.527 -0.000 0.000 0.308 194 F C -0.253 174.801 175.800 -1.244 0.000 1.097 194 F CA -0.763 56.597 58.000 -1.066 0.000 0.953 194 F CB 1.746 39.831 39.000 -1.525 0.000 1.287 194 F HN 0.549 nan 8.300 nan 0.000 0.446 195 G N 1.454 109.357 108.800 -1.495 0.000 2.341 195 G HA2 0.542 4.502 3.960 -0.000 0.000 0.299 195 G HA3 0.542 4.502 3.960 -0.000 0.000 0.299 195 G C -2.387 171.908 174.900 -1.008 0.000 1.274 195 G CA -0.820 43.461 45.100 -1.363 0.000 0.853 195 G HN 0.867 nan 8.290 nan 0.000 0.493 196 I N 0.661 120.755 120.570 -0.792 0.000 2.534 196 I HA 0.376 4.546 4.170 -0.000 0.000 0.286 196 I C -0.244 175.876 176.117 0.005 0.000 1.094 196 I CA -0.804 60.377 61.300 -0.198 0.000 1.055 196 I CB 2.340 40.361 38.000 0.035 0.000 1.225 196 I HN 0.470 nan 8.210 nan 0.000 0.435 197 R N 3.542 124.130 120.500 0.148 0.000 2.549 197 R HA 0.843 5.183 4.340 -0.000 0.000 0.267 197 R C -0.323 176.046 176.300 0.115 0.000 1.045 197 R CA -0.813 55.372 56.100 0.141 0.000 1.115 197 R CB 1.358 31.735 30.300 0.127 0.000 1.121 197 R HN 0.547 nan 8.270 nan 0.000 0.543 198 S N -0.689 115.069 115.700 0.097 0.000 2.608 198 S HA 0.106 4.576 4.470 -0.000 0.000 0.285 198 S C -0.800 173.837 174.600 0.062 0.000 1.108 198 S CA -0.812 57.436 58.200 0.079 0.000 0.858 198 S CB 0.673 63.927 63.200 0.091 0.000 1.077 198 S HN 0.838 nan 8.310 nan 0.000 0.450 199 N N 1.873 120.602 118.700 0.048 0.000 2.412 199 N HA 0.283 5.023 4.740 -0.000 0.000 0.184 199 N C 0.075 175.605 175.510 0.035 0.000 1.101 199 N CA 0.543 53.615 53.050 0.037 0.000 0.881 199 N CB 0.148 38.653 38.487 0.029 0.000 0.969 199 N HN 0.714 nan 8.380 nan 0.000 0.459 200 A N 0.075 122.919 122.820 0.041 0.000 2.343 200 A HA 0.799 5.119 4.320 -0.000 0.000 0.308 200 A C -0.017 177.593 177.584 0.043 0.000 1.092 200 A CA -0.627 51.432 52.037 0.036 0.000 0.751 200 A CB 1.051 20.071 19.000 0.034 0.000 1.203 200 A HN 0.392 nan 8.150 nan 0.000 0.452 201 A N 1.623 124.462 122.820 0.033 0.000 2.624 201 A HA 0.319 4.639 4.320 -0.000 0.000 0.231 201 A C -0.107 177.498 177.584 0.036 0.000 1.034 201 A CA 0.664 52.718 52.037 0.028 0.000 0.754 201 A CB -0.513 18.495 19.000 0.013 0.000 0.953 201 A HN 0.794 nan 8.150 nan 0.000 0.509 202 I N 4.630 125.214 120.570 0.024 0.000 2.354 202 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 202 I C -1.624 174.508 176.117 0.024 0.000 0.989 202 I CA -1.967 59.351 61.300 0.029 0.000 1.188 202 I CB 1.452 39.432 38.000 -0.034 0.000 1.342 202 I HN 0.514 nan 8.210 nan 0.000 0.457 203 P HA 0.084 nan 4.420 nan 0.000 0.270 203 P C -0.781 176.595 177.300 0.127 0.000 1.227 203 P CA -0.396 62.760 63.100 0.093 0.000 0.788 203 P CB 0.586 32.346 31.700 0.099 0.000 0.926 204 A N 0.824 123.688 122.820 0.073 0.000 2.331 204 A HA 0.679 4.999 4.320 -0.000 0.000 0.283 204 A C 0.644 178.283 177.584 0.092 0.000 1.142 204 A CA 0.528 52.611 52.037 0.077 0.000 0.812 204 A CB -0.095 18.920 19.000 0.026 0.000 1.074 204 A HN 0.851 nan 8.150 nan 0.000 0.497 205 G N -0.456 108.422 108.800 0.131 0.000 2.404 205 G HA2 0.614 4.574 3.960 -0.000 0.000 0.253 205 G HA3 0.614 4.574 3.960 -0.000 0.000 0.253 205 G C -0.757 174.135 174.900 -0.014 0.000 1.253 205 G CA 0.136 45.235 45.100 -0.001 0.000 0.917 205 G HN 1.839 nan 8.290 nan 0.000 0.480 206 A N -0.614 122.074 122.820 -0.220 0.000 2.288 206 A HA 0.842 5.162 4.320 -0.000 0.000 0.320 206 A C -1.527 175.813 177.584 -0.408 0.000 1.217 206 A CA -0.403 51.550 52.037 -0.141 0.000 0.840 206 A CB 0.641 19.595 19.000 -0.076 0.000 1.179 206 A HN 0.851 nan 8.150 nan 0.000 0.504 207 Y N 0.595 120.956 120.300 0.101 0.000 2.409 207 Y HA 0.466 5.016 4.550 -0.000 0.000 0.343 207 Y C 0.276 176.231 175.900 0.092 0.000 0.973 207 Y CA -0.509 57.641 58.100 0.084 0.000 1.064 207 Y CB 2.057 40.628 38.460 0.185 0.000 1.207 207 Y HN 0.668 nan 8.280 nan 0.000 0.452 208 Q N 2.937 122.769 119.800 0.052 0.000 2.307 208 Q HA 0.509 4.849 4.340 -0.000 0.000 0.262 208 Q C -1.542 174.366 176.000 -0.154 0.000 0.961 208 Q CA -0.596 55.221 55.803 0.024 0.000 0.882 208 Q CB 1.680 30.406 28.738 -0.020 0.000 1.264 208 Q HN 0.495 nan 8.270 nan 0.000 0.446 209 F N 0.977 120.899 119.950 -0.048 0.000 2.492 209 F HA 0.468 4.995 4.527 -0.000 0.000 0.327 209 F C 0.098 175.843 175.800 -0.092 0.000 1.079 209 F CA -1.135 56.804 58.000 -0.102 0.000 0.967 209 F CB 1.588 40.410 39.000 -0.296 0.000 1.169 209 F HN 0.257 nan 8.300 nan 0.000 0.472 210 V N 0.689 120.659 119.914 0.092 0.000 2.435 210 V HA 0.665 4.785 4.120 -0.000 0.000 0.290 210 V C -0.598 175.476 176.094 -0.034 0.000 1.030 210 V CA -1.024 61.281 62.300 0.008 0.000 0.881 210 V CB 0.990 32.796 31.823 -0.030 0.000 0.983 210 V HN 0.486 nan 8.190 nan 0.000 0.445 211 V N 5.691 125.521 119.914 -0.140 0.000 2.455 211 V HA 0.285 4.405 4.120 -0.000 0.000 0.273 211 V C -1.820 173.951 176.094 -0.538 0.000 1.045 211 V CA -1.304 60.760 62.300 -0.394 0.000 0.976 211 V CB 0.357 32.008 31.823 -0.286 0.000 0.993 211 V HN 0.841 nan 8.190 nan 0.000 0.475 212 P HA 0.022 nan 4.420 nan 0.000 0.267 212 P C 0.870 177.775 177.300 -0.659 0.000 1.195 212 P CA 0.331 62.984 63.100 -0.745 0.000 0.773 212 P CB 0.626 31.654 31.700 -1.120 0.000 0.837 213 A N 3.559 126.176 122.820 -0.337 0.000 2.032 213 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 213 A C 1.821 179.323 177.584 -0.136 0.000 1.165 213 A CA 1.606 53.533 52.037 -0.184 0.000 0.645 213 A CB -1.340 17.623 19.000 -0.061 0.000 0.807 213 A HN 0.838 nan 8.150 nan 0.000 0.453 214 W N -1.692 119.524 121.300 -0.140 0.000 2.443 214 W HA 0.239 4.899 4.660 -0.000 0.000 0.296 214 W C 1.905 178.375 176.519 -0.081 0.000 1.202 214 W CA 0.815 58.096 57.345 -0.106 0.000 1.312 214 W CB -1.068 28.307 29.460 -0.143 0.000 1.120 214 W HN 0.334 nan 8.180 nan 0.000 0.536 215 A N 1.753 124.089 122.820 -0.806 0.000 2.168 215 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 215 A C 1.994 179.387 177.584 -0.318 0.000 1.152 215 A CA 1.531 53.192 52.037 -0.628 0.000 0.716 215 A CB -1.082 17.080 19.000 -1.396 0.000 0.794 215 A HN 0.347 nan 8.150 nan 0.000 0.465 216 S N -0.540 114.967 115.700 -0.322 0.000 2.723 216 S HA 0.061 4.531 4.470 -0.000 0.000 0.231 216 S C 1.005 175.565 174.600 -0.067 0.000 0.967 216 S CA 0.955 59.049 58.200 -0.175 0.000 0.958 216 S CB -0.408 62.690 63.200 -0.170 0.000 0.778 216 S HN 0.311 nan 8.310 nan 0.000 0.537 217 V N -0.182 119.715 119.914 -0.029 0.000 3.455 217 V HA 0.294 4.414 4.120 -0.000 0.000 0.250 217 V C 1.139 177.254 176.094 0.035 0.000 1.230 217 V CA -0.211 62.097 62.300 0.013 0.000 1.105 217 V CB -0.546 31.300 31.823 0.038 0.000 0.850 217 V HN 0.419 nan 8.190 nan 0.000 0.461 218 L N 1.085 122.348 121.223 0.067 0.000 2.473 218 L HA 0.224 4.564 4.340 -0.000 0.000 0.280 218 L C 0.450 177.362 176.870 0.069 0.000 1.266 218 L CA 1.129 56.049 54.840 0.133 0.000 0.824 218 L CB 0.166 42.388 42.059 0.271 0.000 1.091 218 L HN 0.368 nan 8.230 nan 0.000 0.534 219 S N 0.022 115.741 115.700 0.031 0.000 2.535 219 S HA 0.648 5.118 4.470 -0.000 0.000 0.272 219 S C -1.209 173.214 174.600 -0.295 0.000 1.149 219 S CA -0.702 57.429 58.200 -0.116 0.000 0.888 219 S CB 1.575 64.727 63.200 -0.080 0.000 1.110 219 S HN 0.274 nan 8.310 nan 0.000 0.463 220 V N 2.985 122.571 119.914 -0.548 0.000 2.823 220 V HA 0.878 4.998 4.120 -0.000 0.000 0.312 220 V C -0.010 175.773 176.094 -0.519 0.000 1.072 220 V CA -0.535 61.322 62.300 -0.738 0.000 0.937 220 V CB 1.926 33.069 31.823 -1.134 0.000 1.013 220 V HN 1.076 nan 8.190 nan 0.000 0.430 221 T N -1.329 112.990 114.554 -0.391 0.000 2.903 221 T HA 0.655 5.005 4.350 -0.000 0.000 0.299 221 T C 0.484 175.055 174.700 -0.215 0.000 1.093 221 T CA -0.028 61.935 62.100 -0.229 0.000 1.002 221 T CB 1.607 70.386 68.868 -0.148 0.000 1.127 221 T HN 2.203 nan 8.240 nan 0.000 0.488 222 G N 0.674 109.383 108.800 -0.151 0.000 2.338 222 G HA2 0.220 4.180 3.960 -0.000 0.000 0.296 222 G HA3 0.220 4.180 3.960 -0.000 0.000 0.296 222 G C 0.234 174.989 174.900 -0.243 0.000 1.040 222 G CA 0.008 45.001 45.100 -0.178 0.000 1.004 222 G HN 1.515 nan 8.290 nan 0.000 0.509 223 A N 0.228 122.959 122.820 -0.147 0.000 2.317 223 A HA 0.765 5.085 4.320 -0.000 0.000 0.327 223 A C -0.348 177.322 177.584 0.143 0.000 1.178 223 A CA -0.692 51.308 52.037 -0.060 0.000 0.817 223 A CB 1.001 19.987 19.000 -0.024 0.000 1.189 223 A HN 0.599 nan 8.150 nan 0.000 0.489 224 Y N 2.206 122.593 120.300 0.146 0.000 2.417 224 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 224 Y C -0.167 175.932 175.900 0.332 0.000 0.961 224 Y CA -0.824 57.377 58.100 0.168 0.000 1.215 224 Y CB 1.655 40.148 38.460 0.055 0.000 1.120 224 Y HN 0.371 nan 8.280 nan 0.000 0.499 225 V N 6.266 126.456 119.914 0.461 0.000 2.348 225 V HA 0.229 4.349 4.120 -0.000 0.000 0.270 225 V C -0.495 175.774 176.094 0.291 0.000 1.037 225 V CA -0.520 61.989 62.300 0.348 0.000 0.872 225 V CB -0.398 31.645 31.823 0.366 0.000 1.002 225 V HN 0.675 nan 8.190 nan 0.000 0.464 226 Y N 2.661 122.929 120.300 -0.054 0.000 2.818 226 Y HA 0.805 5.355 4.550 -0.000 0.000 0.322 226 Y C -1.170 174.603 175.900 -0.213 0.000 1.323 226 Y CA -1.872 56.175 58.100 -0.088 0.000 1.090 226 Y CB 1.245 39.720 38.460 0.025 0.000 1.328 226 Y HN 0.296 nan 8.280 nan 0.000 0.482 227 F N 0.783 120.738 119.950 0.007 0.000 2.404 227 F HA 0.657 5.184 4.527 -0.000 0.000 0.339 227 F C 0.515 176.273 175.800 -0.070 0.000 1.105 227 F CA -0.146 57.805 58.000 -0.082 0.000 1.087 227 F CB 1.990 41.007 39.000 0.029 0.000 1.143 227 F HN 0.681 nan 8.300 nan 0.000 0.491 228 T N 1.261 115.838 114.554 0.038 0.000 2.792 228 T HA 0.292 4.642 4.350 -0.000 0.000 0.303 228 T C -0.468 174.263 174.700 0.052 0.000 1.310 228 T CA -0.789 61.341 62.100 0.049 0.000 1.007 228 T CB 1.213 70.055 68.868 -0.042 0.000 1.335 228 T HN 0.787 nan 8.240 nan 0.000 0.504 229 N N 0.676 119.414 118.700 0.063 0.000 2.299 229 N HA 0.227 4.967 4.740 -0.000 0.000 0.246 229 N C -0.421 175.119 175.510 0.050 0.000 1.254 229 N CA -0.605 52.474 53.050 0.050 0.000 0.879 229 N CB 0.940 39.459 38.487 0.053 0.000 1.214 229 N HN 0.270 nan 8.380 nan 0.000 0.510 230 S N 0.585 116.323 115.700 0.062 0.000 2.536 230 S HA 0.648 5.118 4.470 -0.000 0.000 0.298 230 S C -1.754 172.937 174.600 0.153 0.000 1.083 230 S CA -0.574 57.678 58.200 0.087 0.000 0.995 230 S CB 1.168 64.409 63.200 0.069 0.000 1.058 230 S HN 0.310 nan 8.310 nan 0.000 0.488 231 F N 4.833 124.771 119.950 -0.020 0.000 2.831 231 F HA 0.508 5.035 4.527 -0.000 0.000 0.346 231 F C -0.593 175.282 175.800 0.126 0.000 1.224 231 F CA -1.037 56.963 58.000 -0.001 0.000 1.048 231 F CB 0.190 39.177 39.000 -0.021 0.000 1.339 231 F HN 0.773 nan 8.300 nan 0.000 0.514 232 F N 4.282 123.949 119.950 -0.471 0.000 3.057 232 F HA -0.160 4.367 4.527 -0.000 0.000 0.287 232 F C 1.404 177.084 175.800 -0.201 0.000 0.834 232 F CA 1.476 59.218 58.000 -0.429 0.000 1.147 232 F CB -0.996 37.610 39.000 -0.657 0.000 1.245 232 F HN 1.136 nan 8.300 nan 0.000 0.509 233 G N -0.330 108.467 108.800 -0.004 0.000 2.141 233 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.242 233 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.242 233 G C 0.078 175.005 174.900 0.044 0.000 0.982 233 G CA 0.217 45.331 45.100 0.023 0.000 0.662 233 G HN 0.567 nan 8.290 nan 0.000 0.527 234 T N 1.748 116.345 114.554 0.072 0.000 2.823 234 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 234 T C 0.636 175.391 174.700 0.091 0.000 0.998 234 T CA -0.618 61.531 62.100 0.081 0.000 0.994 234 T CB 1.394 70.324 68.868 0.103 0.000 0.960 234 T HN 0.197 nan 8.240 nan 0.000 0.448 235 I N 3.627 124.231 120.570 0.057 0.000 2.598 235 I HA 0.113 4.283 4.170 -0.000 0.000 0.284 235 I C 0.486 176.619 176.117 0.026 0.000 1.140 235 I CA -0.023 61.302 61.300 0.042 0.000 1.420 235 I CB -0.104 37.913 38.000 0.028 0.000 1.387 235 I HN 0.586 nan 8.210 nan 0.000 0.553 236 I N 6.280 126.856 120.570 0.011 0.000 2.287 236 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 236 I C 0.751 176.853 176.117 -0.026 0.000 1.069 236 I CA -0.277 60.996 61.300 -0.045 0.000 1.237 236 I CB 0.780 38.730 38.000 -0.084 0.000 1.418 236 I HN 0.643 nan 8.210 nan 0.000 0.481 237 A N 4.315 127.119 122.820 -0.027 0.000 2.287 237 A HA 0.682 5.002 4.320 -0.000 0.000 0.273 237 A C 1.172 178.755 177.584 -0.002 0.000 1.091 237 A CA 0.314 52.347 52.037 -0.006 0.000 0.817 237 A CB 0.448 19.445 19.000 -0.004 0.000 1.069 237 A HN 1.083 nan 8.150 nan 0.000 0.492 238 G N -1.560 107.251 108.800 0.017 0.000 2.137 238 G HA2 0.014 3.974 3.960 -0.000 0.000 0.237 238 G HA3 0.014 3.974 3.960 -0.000 0.000 0.237 238 G C -0.114 174.820 174.900 0.057 0.000 1.002 238 G CA 0.259 45.379 45.100 0.034 0.000 0.702 238 G HN 1.642 nan 8.290 nan 0.000 0.515 239 V N 0.022 119.969 119.914 0.054 0.000 2.969 239 V HA 0.810 4.930 4.120 -0.000 0.000 0.304 239 V C -0.148 175.985 176.094 0.064 0.000 1.192 239 V CA -0.050 62.298 62.300 0.081 0.000 0.962 239 V CB 2.478 34.355 31.823 0.089 0.000 1.045 239 V HN 1.123 nan 8.190 nan 0.000 0.428 240 T N 0.918 115.512 114.554 0.067 0.000 2.949 240 T HA 0.800 5.150 4.350 -0.000 0.000 0.300 240 T C -0.510 174.200 174.700 0.016 0.000 0.988 240 T CA -0.253 61.869 62.100 0.037 0.000 0.993 240 T CB 1.664 70.542 68.868 0.016 0.000 0.984 240 T HN 1.206 nan 8.240 nan 0.000 0.442 241 A N 3.477 126.312 122.820 0.026 0.000 2.294 241 A HA 0.717 5.037 4.320 -0.000 0.000 0.316 241 A C 0.191 177.757 177.584 -0.031 0.000 1.359 241 A CA -0.484 51.551 52.037 -0.003 0.000 0.956 241 A CB -0.007 19.063 19.000 0.116 0.000 1.155 241 A HN 0.916 nan 8.150 nan 0.000 0.544 242 T N 0.793 115.286 114.554 -0.101 0.000 2.923 242 T HA 0.784 5.134 4.350 -0.000 0.000 0.311 242 T C -0.235 174.397 174.700 -0.113 0.000 1.183 242 T CA 0.239 62.297 62.100 -0.071 0.000 1.020 242 T CB 1.872 70.711 68.868 -0.049 0.000 1.165 242 T HN 1.489 nan 8.240 nan 0.000 0.482 243 A N 1.261 124.038 122.820 -0.073 0.000 2.534 243 A HA 0.987 5.307 4.320 -0.000 0.000 0.300 243 A C -1.208 176.351 177.584 -0.042 0.000 1.223 243 A CA -0.805 51.188 52.037 -0.074 0.000 0.666 243 A CB 1.511 20.468 19.000 -0.073 0.000 1.316 243 A HN 0.727 nan 8.150 nan 0.000 0.468 244 T N -0.153 114.380 114.554 -0.035 0.000 2.982 244 T HA 0.532 4.882 4.350 -0.000 0.000 0.321 244 T C 0.760 175.450 174.700 -0.016 0.000 1.229 244 T CA 0.166 62.252 62.100 -0.023 0.000 1.044 244 T CB 1.605 70.459 68.868 -0.023 0.000 1.184 244 T HN 1.718 nan 8.240 nan 0.000 0.477 245 A N 1.399 124.213 122.820 -0.011 0.000 2.204 245 A HA 0.075 4.395 4.320 -0.000 0.000 0.220 245 A C 2.135 179.714 177.584 -0.007 0.000 1.165 245 A CA 2.085 54.117 52.037 -0.007 0.000 0.671 245 A CB -0.631 18.365 19.000 -0.007 0.000 0.792 245 A HN 0.944 nan 8.150 nan 0.000 0.473 246 A N -0.351 122.463 122.820 -0.010 0.000 1.911 246 A HA 0.205 4.525 4.320 -0.000 0.000 0.212 246 A C 0.601 178.179 177.584 -0.010 0.000 1.189 246 A CA 0.383 52.414 52.037 -0.010 0.000 0.639 246 A CB -0.358 18.636 19.000 -0.011 0.000 0.839 246 A HN 0.417 nan 8.150 nan 0.000 0.449 247 D N 0.772 121.162 120.400 -0.016 0.000 2.844 247 D HA 0.241 4.881 4.640 -0.000 0.000 0.217 247 D C 0.481 176.777 176.300 -0.007 0.000 1.121 247 D CA 1.221 55.209 54.000 -0.020 0.000 0.829 247 D CB 0.320 41.099 40.800 -0.034 0.000 1.194 247 D HN 0.530 nan 8.370 nan 0.000 0.513 248 A N 1.587 124.404 122.820 -0.005 0.000 2.386 248 A HA 0.553 4.872 4.320 -0.000 0.000 0.248 248 A C 0.312 177.907 177.584 0.019 0.000 1.082 248 A CA -0.118 51.922 52.037 0.005 0.000 0.789 248 A CB 0.375 19.378 19.000 0.005 0.000 1.025 248 A HN 0.672 nan 8.150 nan 0.000 0.490 249 A N 1.588 124.421 122.820 0.022 0.000 2.524 249 A HA 0.479 4.799 4.320 -0.000 0.000 0.250 249 A C 0.521 178.139 177.584 0.056 0.000 1.078 249 A CA 0.374 52.432 52.037 0.035 0.000 0.761 249 A CB -0.537 18.473 19.000 0.017 0.000 1.012 249 A HN 0.798 nan 8.150 nan 0.000 0.500 250 T N 2.981 117.595 114.554 0.100 0.000 2.743 250 T HA 0.571 4.921 4.350 -0.000 0.000 0.292 250 T C 0.523 175.288 174.700 0.107 0.000 0.972 250 T CA 0.176 62.366 62.100 0.149 0.000 0.967 250 T CB 0.795 69.847 68.868 0.306 0.000 0.926 250 T HN 0.962 nan 8.240 nan 0.000 0.459 251 T N 0.313 114.912 114.554 0.075 0.000 2.858 251 T HA 0.894 5.244 4.350 -0.000 0.000 0.285 251 T C -0.985 173.766 174.700 0.085 0.000 1.052 251 T CA -0.959 61.129 62.100 -0.020 0.000 1.009 251 T CB 1.551 70.365 68.868 -0.089 0.000 1.241 251 T HN 0.489 nan 8.240 nan 0.000 0.542 252 F N -1.442 118.495 119.950 -0.021 0.000 2.686 252 F HA 0.853 5.380 4.527 -0.000 0.000 0.311 252 F C -0.968 174.790 175.800 -0.070 0.000 1.128 252 F CA -0.879 57.101 58.000 -0.033 0.000 0.946 252 F CB 1.293 40.261 39.000 -0.053 0.000 1.336 252 F HN 1.009 nan 8.300 nan 0.000 0.457 253 T N -0.157 114.589 114.554 0.320 0.000 2.883 253 T HA 0.788 5.138 4.350 -0.000 0.000 0.301 253 T C -1.200 173.602 174.700 0.169 0.000 1.158 253 T CA -0.464 61.740 62.100 0.173 0.000 1.007 253 T CB 1.301 70.209 68.868 0.067 0.000 1.186 253 T HN 1.770 nan 8.240 nan 0.000 0.499 254 V N -1.224 118.763 119.914 0.122 0.000 2.925 254 V HA 0.609 4.729 4.120 -0.000 0.000 0.311 254 V C -2.410 173.726 176.094 0.070 0.000 1.104 254 V CA -2.606 59.749 62.300 0.091 0.000 0.954 254 V CB 1.473 33.369 31.823 0.122 0.000 1.022 254 V HN 0.602 nan 8.190 nan 0.000 0.427 255 P HA -0.152 nan 4.420 nan 0.000 0.218 255 P C 1.567 178.892 177.300 0.041 0.000 1.150 255 P CA 2.334 65.456 63.100 0.036 0.000 0.841 255 P CB -0.014 31.701 31.700 0.025 0.000 0.784 256 T N -1.525 113.063 114.554 0.057 0.000 2.622 256 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 256 T C 0.797 175.533 174.700 0.059 0.000 1.047 256 T CA 1.412 63.549 62.100 0.061 0.000 1.159 256 T CB -0.797 68.125 68.868 0.090 0.000 0.863 256 T HN 0.127 nan 8.240 nan 0.000 0.422 257 D N 0.334 120.779 120.400 0.074 0.000 2.233 257 D HA 0.530 5.170 4.640 -0.000 0.000 0.240 257 D C 0.408 176.730 176.300 0.037 0.000 1.074 257 D CA -0.491 53.545 54.000 0.059 0.000 0.838 257 D CB 1.386 42.234 40.800 0.080 0.000 1.124 257 D HN 0.157 nan 8.370 nan 0.000 0.475 258 A N 4.174 127.009 122.820 0.025 0.000 2.239 258 A HA -0.002 4.318 4.320 -0.000 0.000 0.209 258 A C 0.685 178.270 177.584 0.003 0.000 1.171 258 A CA 0.333 52.378 52.037 0.014 0.000 0.768 258 A CB -0.358 18.649 19.000 0.012 0.000 0.790 258 A HN 0.589 nan 8.150 nan 0.000 0.478 259 N N 0.021 118.719 118.700 -0.005 0.000 2.362 259 N HA 0.162 4.902 4.740 -0.000 0.000 0.299 259 N C -1.214 174.259 175.510 -0.063 0.000 1.170 259 N CA -0.774 52.260 53.050 -0.026 0.000 0.825 259 N CB 0.739 39.212 38.487 -0.024 0.000 1.299 259 N HN 0.131 nan 8.380 nan 0.000 0.502 260 N N 1.132 119.782 118.700 -0.084 0.000 2.497 260 N HA 0.161 4.901 4.740 -0.000 0.000 0.268 260 N C -0.949 174.410 175.510 -0.252 0.000 1.171 260 N CA 0.001 52.962 53.050 -0.148 0.000 0.948 260 N CB 0.698 39.122 38.487 -0.106 0.000 1.069 260 N HN 0.285 nan 8.380 nan 0.000 0.460 261 L N 5.789 126.707 121.223 -0.509 0.000 2.276 261 L HA 0.377 4.717 4.340 -0.000 0.000 0.286 261 L C -1.813 174.585 176.870 -0.787 0.000 1.024 261 L CA -1.662 52.745 54.840 -0.722 0.000 0.826 261 L CB 1.375 42.746 42.059 -1.146 0.000 1.211 261 L HN 0.347 nan 8.230 nan 0.000 0.422 262 P HA 0.072 nan 4.420 nan 0.000 0.268 262 P C -0.824 176.404 177.300 -0.119 0.000 1.208 262 P CA -0.073 62.911 63.100 -0.193 0.000 0.777 262 P CB 1.341 32.989 31.700 -0.087 0.000 0.875 263 V N 2.971 122.881 119.914 -0.007 0.000 2.680 263 V HA 0.256 4.376 4.120 -0.000 0.000 0.309 263 V C 0.529 176.697 176.094 0.124 0.000 1.052 263 V CA -0.360 61.976 62.300 0.060 0.000 0.908 263 V CB 1.068 32.898 31.823 0.012 0.000 1.001 263 V HN 0.666 nan 8.190 nan 0.000 0.431 264 Q N 1.286 121.179 119.800 0.154 0.000 2.504 264 Q HA -0.147 4.193 4.340 -0.000 0.000 0.274 264 Q C -0.083 175.958 176.000 0.068 0.000 1.103 264 Q CA 1.126 57.034 55.803 0.175 0.000 0.962 264 Q CB -1.424 27.471 28.738 0.261 0.000 1.322 264 Q HN 1.026 nan 8.270 nan 0.000 0.500 265 T N -0.676 113.898 114.554 0.033 0.000 2.885 265 T HA 0.390 4.740 4.350 -0.000 0.000 0.285 265 T C -0.161 174.486 174.700 -0.089 0.000 1.019 265 T CA -0.742 61.350 62.100 -0.013 0.000 1.010 265 T CB 1.324 70.199 68.868 0.011 0.000 1.022 265 T HN -0.044 nan 8.240 nan 0.000 0.466 266 D N 2.030 122.360 120.400 -0.116 0.000 3.008 266 D HA 0.249 4.889 4.640 -0.000 0.000 0.242 266 D C -0.235 176.058 176.300 -0.011 0.000 1.222 266 D CA 0.224 54.106 54.000 -0.198 0.000 0.883 266 D CB -0.167 40.546 40.800 -0.146 0.000 1.110 266 D HN 0.292 nan 8.370 nan 0.000 0.455 267 S N 0.341 116.092 115.700 0.085 0.000 2.513 267 S HA 0.421 4.891 4.470 -0.000 0.000 0.299 267 S C 0.058 174.835 174.600 0.295 0.000 1.087 267 S CA -0.939 57.361 58.200 0.167 0.000 1.012 267 S CB 2.124 65.377 63.200 0.089 0.000 1.044 267 S HN 0.046 nan 8.310 nan 0.000 0.485 268 R N 2.523 123.153 120.500 0.216 0.000 2.210 268 R HA 0.368 4.708 4.340 -0.000 0.000 0.338 268 R C -0.709 175.653 176.300 0.103 0.000 1.062 268 R CA -0.108 56.063 56.100 0.119 0.000 0.902 268 R CB -0.455 29.860 30.300 0.026 0.000 1.050 268 R HN 0.550 nan 8.270 nan 0.000 0.461 269 L N 1.253 122.561 121.223 0.143 0.000 2.334 269 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 269 L C 0.236 177.193 176.870 0.144 0.000 1.036 269 L CA -0.547 54.414 54.840 0.201 0.000 0.807 269 L CB 1.635 43.915 42.059 0.369 0.000 1.231 269 L HN 0.399 nan 8.230 nan 0.000 0.438 270 S N 2.820 118.622 115.700 0.170 0.000 2.707 270 S HA 0.753 5.223 4.470 -0.000 0.000 0.312 270 S C -0.896 173.818 174.600 0.189 0.000 1.116 270 S CA -0.571 57.656 58.200 0.045 0.000 1.078 270 S CB 0.876 64.084 63.200 0.014 0.000 0.997 270 S HN 0.473 nan 8.310 nan 0.000 0.477 271 F N -0.336 119.632 119.950 0.030 0.000 2.693 271 F HA 0.836 5.363 4.527 -0.000 0.000 0.309 271 F C -0.582 175.240 175.800 0.037 0.000 1.129 271 F CA -1.079 56.957 58.000 0.061 0.000 0.948 271 F CB 0.874 39.965 39.000 0.151 0.000 1.315 271 F HN 0.389 nan 8.300 nan 0.000 0.447 272 S N 1.627 117.466 115.700 0.232 0.000 2.503 272 S HA 0.607 5.077 4.470 -0.000 0.000 0.301 272 S C -0.320 174.400 174.600 0.201 0.000 1.087 272 S CA -0.871 57.393 58.200 0.106 0.000 1.042 272 S CB 1.613 64.836 63.200 0.039 0.000 1.043 272 S HN 0.895 nan 8.310 nan 0.000 0.489 273 L N 2.747 124.055 121.223 0.143 0.000 2.645 273 L HA 0.256 4.596 4.340 -0.000 0.000 0.234 273 L C 2.072 178.964 176.870 0.036 0.000 1.165 273 L CA 0.080 54.992 54.840 0.121 0.000 0.944 273 L CB -0.836 41.288 42.059 0.107 0.000 1.149 273 L HN 1.018 nan 8.230 nan 0.000 0.446 274 G N -0.018 108.803 108.800 0.034 0.000 2.776 274 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.209 274 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.209 274 G C 1.455 176.354 174.900 -0.001 0.000 1.145 274 G CA 0.575 45.677 45.100 0.003 0.000 0.791 274 G HN 0.488 nan 8.290 nan 0.000 0.530 275 G N 0.032 108.841 108.800 0.014 0.000 2.422 275 G HA2 0.282 4.242 3.960 -0.000 0.000 0.218 275 G HA3 0.282 4.242 3.960 -0.000 0.000 0.218 275 G C 1.398 176.289 174.900 -0.015 0.000 1.140 275 G CA 0.852 45.958 45.100 0.008 0.000 0.775 275 G HN 1.382 nan 8.290 nan 0.000 0.545 276 G N -0.596 108.181 108.800 -0.037 0.000 2.195 276 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.224 276 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.224 276 G C 0.032 174.895 174.900 -0.062 0.000 0.990 276 G CA 0.620 45.681 45.100 -0.064 0.000 0.639 276 G HN 1.407 nan 8.290 nan 0.000 0.514 277 N N -1.210 117.468 118.700 -0.037 0.000 2.598 277 N HA 0.651 5.391 4.740 -0.000 0.000 0.263 277 N C -1.353 174.139 175.510 -0.029 0.000 1.254 277 N CA -0.908 52.128 53.050 -0.024 0.000 0.863 277 N CB 1.610 40.092 38.487 -0.009 0.000 1.586 277 N HN 0.624 nan 8.380 nan 0.000 0.491 278 I N 0.403 120.943 120.570 -0.049 0.000 2.439 278 I HA 0.428 4.598 4.170 -0.000 0.000 0.283 278 I C -1.285 174.828 176.117 -0.007 0.000 1.023 278 I CA -0.412 60.810 61.300 -0.130 0.000 1.100 278 I CB 1.098 38.822 38.000 -0.460 0.000 1.238 278 I HN 0.677 nan 8.210 nan 0.000 0.445 279 N N 6.864 125.605 118.700 0.067 0.000 2.415 279 N HA 0.326 5.066 4.740 -0.000 0.000 0.246 279 N C -1.045 174.592 175.510 0.212 0.000 1.078 279 N CA -0.534 52.601 53.050 0.142 0.000 0.942 279 N CB 0.768 39.317 38.487 0.103 0.000 1.140 279 N HN 0.460 nan 8.380 nan 0.000 0.501 280 L N 2.702 124.105 121.223 0.299 0.000 2.325 280 L HA 0.324 4.664 4.340 -0.000 0.000 0.279 280 L C -0.395 176.663 176.870 0.313 0.000 1.054 280 L CA -0.152 54.894 54.840 0.343 0.000 0.804 280 L CB 1.072 43.388 42.059 0.428 0.000 1.200 280 L HN 0.436 nan 8.230 nan 0.000 0.436 281 E N 4.831 125.180 120.200 0.248 0.000 2.207 281 E HA 0.236 4.586 4.350 -0.000 0.000 0.250 281 E C -1.340 175.365 176.600 0.175 0.000 0.890 281 E CA -0.779 55.733 56.400 0.187 0.000 0.749 281 E CB 1.592 31.359 29.700 0.112 0.000 1.193 281 E HN 0.369 nan 8.360 nan 0.000 0.423 282 L N 2.390 123.724 121.223 0.186 0.000 2.369 282 L HA 0.250 4.590 4.340 -0.000 0.000 0.279 282 L C 1.222 178.131 176.870 0.065 0.000 1.108 282 L CA 0.647 55.537 54.840 0.083 0.000 0.852 282 L CB 0.895 42.901 42.059 -0.089 0.000 1.169 282 L HN 0.659 nan 8.230 nan 0.000 0.452 283 G N 4.079 112.910 108.800 0.052 0.000 2.880 283 G HA2 0.247 4.207 3.960 -0.000 0.000 0.209 283 G HA3 0.247 4.207 3.960 -0.000 0.000 0.209 283 G C -0.010 174.889 174.900 -0.003 0.000 1.157 283 G CA 0.282 45.400 45.100 0.029 0.000 0.779 283 G HN 0.415 nan 8.290 nan 0.000 0.539 284 V N -0.264 119.630 119.914 -0.033 0.000 2.932 284 V HA 0.673 4.793 4.120 -0.000 0.000 0.307 284 V C -0.033 176.010 176.094 -0.086 0.000 1.147 284 V CA -1.275 60.991 62.300 -0.056 0.000 0.951 284 V CB 1.618 33.395 31.823 -0.078 0.000 1.031 284 V HN 0.306 nan 8.190 nan 0.000 0.426 285 A N 3.711 126.493 122.820 -0.063 0.000 2.445 285 A HA 0.650 4.970 4.320 -0.000 0.000 0.242 285 A C -0.055 177.472 177.584 -0.095 0.000 1.075 285 A CA 0.123 52.119 52.037 -0.069 0.000 0.777 285 A CB 0.232 19.214 19.000 -0.029 0.000 1.013 285 A HN 0.789 nan 8.150 nan 0.000 0.493 286 K N 0.964 121.301 120.400 -0.105 0.000 2.501 286 K HA 0.329 4.649 4.320 -0.000 0.000 0.252 286 K C -0.780 175.819 176.600 -0.000 0.000 0.934 286 K CA -0.493 55.748 56.287 -0.076 0.000 0.797 286 K CB 2.041 34.469 32.500 -0.120 0.000 1.270 286 K HN 0.581 nan 8.250 nan 0.000 0.431 287 T N 1.373 115.936 114.554 0.014 0.000 4.029 287 T HA 0.243 4.593 4.350 -0.000 0.000 0.226 287 T C 0.369 175.117 174.700 0.079 0.000 0.838 287 T CA -0.119 62.005 62.100 0.041 0.000 0.907 287 T CB -0.535 68.347 68.868 0.024 0.000 1.296 287 T HN 0.893 nan 8.240 nan 0.000 0.711 288 G N 2.245 111.130 108.800 0.142 0.000 3.438 288 G HA2 0.137 4.097 3.960 -0.000 0.000 0.684 288 G HA3 0.137 4.097 3.960 -0.000 0.000 0.684 288 G C -0.762 174.303 174.900 0.276 0.000 1.192 288 G CA -1.176 44.041 45.100 0.196 0.000 1.013 288 G HN 0.583 nan 8.290 nan 0.000 0.530 289 F N 0.598 120.587 119.950 0.065 0.000 2.556 289 F HA 0.802 5.329 4.527 -0.000 0.000 0.314 289 F C -0.117 175.752 175.800 0.116 0.000 1.106 289 F CA -1.495 56.574 58.000 0.116 0.000 0.911 289 F CB 1.829 40.917 39.000 0.147 0.000 1.190 289 F HN 0.759 nan 8.300 nan 0.000 0.448 290 C N 5.877 125.186 119.300 0.016 0.000 2.381 290 C HA 0.798 5.258 4.460 -0.000 0.000 0.328 290 C C -0.643 174.150 174.990 -0.329 0.000 1.190 290 C CA -0.400 58.502 59.018 -0.194 0.000 1.369 290 C CB 0.334 28.114 27.740 0.066 0.000 2.029 290 C HN 0.858 nan 8.230 nan 0.000 0.448 291 V N 5.624 125.067 119.914 -0.785 0.000 2.567 291 V HA 0.736 4.856 4.120 -0.000 0.000 0.289 291 V C 0.740 176.230 176.094 -1.006 0.000 1.049 291 V CA 0.039 61.701 62.300 -1.064 0.000 0.969 291 V CB 1.403 32.290 31.823 -1.559 0.000 0.995 291 V HN 1.102 nan 8.190 nan 0.000 0.471 292 A N 5.600 127.937 122.820 -0.805 0.000 2.355 292 A HA 0.852 5.172 4.320 -0.000 0.000 0.317 292 A C -0.791 176.595 177.584 -0.331 0.000 1.094 292 A CA -0.560 51.121 52.037 -0.592 0.000 0.764 292 A CB 0.931 19.477 19.000 -0.757 0.000 1.230 292 A HN 0.752 nan 8.150 nan 0.000 0.448 293 I N 2.069 122.606 120.570 -0.055 0.000 2.359 293 I HA 0.298 4.468 4.170 -0.000 0.000 0.284 293 I C -0.102 176.211 176.117 0.327 0.000 1.018 293 I CA -0.009 61.419 61.300 0.213 0.000 1.173 293 I CB 1.386 39.612 38.000 0.376 0.000 1.326 293 I HN 0.803 nan 8.210 nan 0.000 0.462 294 E N 5.569 125.960 120.200 0.319 0.000 2.155 294 E HA 0.690 5.040 4.350 -0.000 0.000 0.264 294 E C -0.366 176.317 176.600 0.138 0.000 0.886 294 E CA -0.387 56.198 56.400 0.309 0.000 0.752 294 E CB 1.587 31.501 29.700 0.357 0.000 1.133 294 E HN 0.800 nan 8.360 nan 0.000 0.414 295 G N 3.374 112.209 108.800 0.058 0.000 2.635 295 G HA2 0.133 4.093 3.960 -0.000 0.000 0.194 295 G HA3 0.133 4.093 3.960 -0.000 0.000 0.194 295 G C -1.311 173.495 174.900 -0.157 0.000 1.198 295 G CA -0.646 44.355 45.100 -0.166 0.000 0.972 295 G HN 0.417 nan 8.290 nan 0.000 0.520 296 E N -0.109 119.913 120.200 -0.296 0.000 2.113 296 E HA 0.644 4.994 4.350 -0.000 0.000 0.273 296 E C -1.477 174.954 176.600 -0.282 0.000 0.924 296 E CA -0.491 55.821 56.400 -0.147 0.000 0.764 296 E CB 0.810 30.447 29.700 -0.105 0.000 1.104 296 E HN 0.181 nan 8.360 nan 0.000 0.406 297 F N 2.390 122.323 119.950 -0.029 0.000 2.415 297 F HA 0.383 4.910 4.527 -0.000 0.000 0.348 297 F C 0.916 176.709 175.800 -0.012 0.000 1.119 297 F CA -0.543 57.441 58.000 -0.027 0.000 1.069 297 F CB 1.634 40.634 39.000 0.000 0.000 1.124 297 F HN 0.291 nan 8.300 nan 0.000 0.472 298 T N 2.200 116.823 114.554 0.116 0.000 2.927 298 T HA 0.696 5.046 4.350 -0.000 0.000 0.286 298 T C -0.633 174.120 174.700 0.089 0.000 1.040 298 T CA -0.874 61.280 62.100 0.090 0.000 1.010 298 T CB 1.264 70.161 68.868 0.048 0.000 1.177 298 T HN 0.255 nan 8.240 nan 0.000 0.546 299 I N 2.412 123.030 120.570 0.080 0.000 2.336 299 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 299 I C 0.547 176.691 176.117 0.044 0.000 0.991 299 I CA -1.011 60.328 61.300 0.065 0.000 1.227 299 I CB 1.123 39.171 38.000 0.080 0.000 1.366 299 I HN 0.759 nan 8.210 nan 0.000 0.466 300 L N 4.821 126.052 121.223 0.013 0.000 2.559 300 L HA 0.014 4.354 4.340 -0.000 0.000 0.282 300 L C 1.070 177.888 176.870 -0.086 0.000 1.232 300 L CA -0.038 54.777 54.840 -0.042 0.000 0.885 300 L CB 0.586 42.624 42.059 -0.036 0.000 1.131 300 L HN 0.784 nan 8.230 nan 0.000 0.498 301 A N 3.850 126.518 122.820 -0.253 0.000 2.613 301 A HA -0.074 4.246 4.320 -0.000 0.000 0.230 301 A C 1.057 178.528 177.584 -0.189 0.000 1.051 301 A CA 0.927 52.676 52.037 -0.481 0.000 0.754 301 A CB -0.329 18.043 19.000 -1.046 0.000 0.979 301 A HN 1.084 nan 8.150 nan 0.000 0.510 302 N N -0.459 118.215 118.700 -0.044 0.000 2.815 302 N HA -0.219 4.521 4.740 -0.000 0.000 0.247 302 N C 0.572 176.106 175.510 0.040 0.000 1.030 302 N CA 1.419 54.488 53.050 0.032 0.000 0.881 302 N CB -0.450 38.037 38.487 -0.000 0.000 1.134 302 N HN 0.756 nan 8.380 nan 0.000 0.582 303 R N -0.282 120.244 120.500 0.043 0.000 2.565 303 R HA 0.121 4.461 4.340 -0.000 0.000 0.347 303 R C 1.474 177.837 176.300 0.104 0.000 1.010 303 R CA 0.556 56.691 56.100 0.059 0.000 1.126 303 R CB 0.487 30.804 30.300 0.029 0.000 1.331 303 R HN 0.234 nan 8.270 nan 0.000 0.552 304 S N 0.083 115.871 115.700 0.148 0.000 2.423 304 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 304 S C 1.650 176.417 174.600 0.278 0.000 1.014 304 S CA 0.577 58.917 58.200 0.235 0.000 0.965 304 S CB 0.070 63.456 63.200 0.309 0.000 0.785 304 S HN 0.106 nan 8.310 nan 0.000 0.495 305 Q N 2.496 122.415 119.800 0.197 0.000 2.012 305 Q HA -0.138 4.202 4.340 -0.000 0.000 0.211 305 Q C 2.564 178.658 176.000 0.157 0.000 1.009 305 Q CA 2.268 58.169 55.803 0.162 0.000 0.866 305 Q CB -1.415 27.383 28.738 0.100 0.000 0.945 305 Q HN 0.696 nan 8.270 nan 0.000 0.414 306 A N -0.346 122.553 122.820 0.131 0.000 1.909 306 A HA -0.315 4.005 4.320 -0.000 0.000 0.221 306 A C 2.049 179.721 177.584 0.146 0.000 1.223 306 A CA 2.171 54.279 52.037 0.117 0.000 0.658 306 A CB -1.306 17.756 19.000 0.105 0.000 0.831 306 A HN 0.565 nan 8.150 nan 0.000 0.462 307 Y N -0.972 119.337 120.300 0.016 0.000 2.070 307 Y HA -0.264 4.286 4.550 -0.000 0.000 0.280 307 Y C 2.215 178.111 175.900 -0.006 0.000 1.148 307 Y CA 1.947 60.015 58.100 -0.053 0.000 1.125 307 Y CB -0.813 37.526 38.460 -0.202 0.000 0.975 307 Y HN 0.409 nan 8.280 nan 0.000 0.492 308 Y N -0.720 119.551 120.300 -0.048 0.000 2.439 308 Y HA -0.108 4.442 4.550 -0.000 0.000 0.292 308 Y C 2.279 178.022 175.900 -0.261 0.000 1.130 308 Y CA 1.378 59.254 58.100 -0.374 0.000 1.254 308 Y CB -0.311 37.922 38.460 -0.379 0.000 1.000 308 Y HN 0.044 nan 8.280 nan 0.000 0.554 309 T N 0.179 114.758 114.554 0.042 0.000 3.148 309 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 309 T C 1.041 175.762 174.700 0.035 0.000 1.134 309 T CA 0.289 62.412 62.100 0.038 0.000 1.051 309 T CB -0.202 68.699 68.868 0.055 0.000 0.959 309 T HN 0.328 nan 8.240 nan 0.000 0.525 310 L N 1.180 122.426 121.223 0.040 0.000 4.429 310 L HA -0.243 4.097 4.340 -0.000 0.000 0.422 310 L C 1.386 178.271 176.870 0.026 0.000 1.149 310 L CA 0.422 55.286 54.840 0.041 0.000 0.972 310 L CB -1.564 40.528 42.059 0.054 0.000 2.059 310 L HN 0.419 nan 8.230 nan 0.000 0.870 311 N N -0.352 118.368 118.700 0.035 0.000 2.461 311 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 311 N C 1.450 176.980 175.510 0.032 0.000 1.134 311 N CA 0.837 53.905 53.050 0.030 0.000 0.878 311 N CB 0.316 38.825 38.487 0.037 0.000 0.972 311 N HN 0.366 nan 8.380 nan 0.000 0.456 312 S N 0.048 115.773 115.700 0.042 0.000 2.522 312 S HA 0.171 4.641 4.470 -0.000 0.000 0.227 312 S C 0.789 175.399 174.600 0.016 0.000 0.986 312 S CA -0.053 58.179 58.200 0.054 0.000 0.929 312 S CB 0.118 63.375 63.200 0.095 0.000 0.769 312 S HN 0.235 nan 8.310 nan 0.000 0.529 313 I N 1.616 122.184 120.570 -0.004 0.000 2.396 313 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 313 I C 1.165 177.270 176.117 -0.019 0.000 0.999 313 I CA -0.212 61.072 61.300 -0.028 0.000 1.310 313 I CB 1.832 39.811 38.000 -0.035 0.000 1.404 313 I HN 0.152 nan 8.210 nan 0.000 0.496 314 T N 0.325 114.863 114.554 -0.026 0.000 3.010 314 T HA 0.167 4.517 4.350 -0.000 0.000 0.253 314 T C 0.512 175.200 174.700 -0.020 0.000 0.939 314 T CA -0.245 61.844 62.100 -0.018 0.000 0.910 314 T CB 0.272 69.133 68.868 -0.012 0.000 1.226 314 T HN 0.417 nan 8.240 nan 0.000 0.508 315 Q N 1.663 121.447 119.800 -0.027 0.000 2.180 315 Q HA 0.705 5.045 4.340 -0.000 0.000 0.241 315 Q C -1.186 174.798 176.000 -0.027 0.000 0.970 315 Q CA -0.069 55.720 55.803 -0.023 0.000 0.919 315 Q CB 1.657 30.384 28.738 -0.019 0.000 1.222 315 Q HN 0.392 nan 8.270 nan 0.000 0.482 316 T N 1.452 115.993 114.554 -0.022 0.000 3.109 316 T HA 0.459 4.809 4.350 -0.000 0.000 0.311 316 T C -2.287 172.399 174.700 -0.023 0.000 1.011 316 T CA -1.135 60.949 62.100 -0.027 0.000 1.026 316 T CB 1.036 69.887 68.868 -0.028 0.000 1.047 316 T HN 0.585 nan 8.240 nan 0.000 0.448 317 P HA 0.561 nan 4.420 nan 0.000 0.288 317 P C -0.443 176.839 177.300 -0.029 0.000 1.291 317 P CA -0.151 62.930 63.100 -0.031 0.000 0.766 317 P CB 0.708 32.390 31.700 -0.030 0.000 1.242 318 T N -2.361 112.172 114.554 -0.034 0.000 2.792 318 T HA 0.415 4.765 4.350 -0.000 0.000 0.303 318 T C -1.010 173.670 174.700 -0.033 0.000 1.310 318 T CA -0.522 61.553 62.100 -0.042 0.000 1.007 318 T CB 0.837 69.666 68.868 -0.066 0.000 1.335 318 T HN 0.339 nan 8.240 nan 0.000 0.504 319 S N 1.516 117.198 115.700 -0.030 0.000 2.541 319 S HA 0.822 5.292 4.470 -0.000 0.000 0.283 319 S C -0.784 173.793 174.600 -0.038 0.000 1.196 319 S CA -0.651 57.555 58.200 0.009 0.000 1.062 319 S CB 0.628 63.909 63.200 0.134 0.000 1.009 319 S HN 0.651 nan 8.310 nan 0.000 0.502 320 I N 2.335 122.885 120.570 -0.033 0.000 2.841 320 I HA 0.322 4.492 4.170 -0.000 0.000 0.298 320 I C -1.470 174.610 176.117 -0.061 0.000 1.304 320 I CA -0.679 60.577 61.300 -0.073 0.000 1.019 320 I CB 1.923 39.871 38.000 -0.086 0.000 1.282 320 I HN 0.723 nan 8.210 nan 0.000 0.432 321 D N 3.782 124.108 120.400 -0.123 0.000 2.539 321 D HA 0.202 4.842 4.640 -0.000 0.000 0.276 321 D C -0.517 175.716 176.300 -0.112 0.000 1.206 321 D CA -0.222 53.725 54.000 -0.087 0.000 1.081 321 D CB 1.165 41.917 40.800 -0.081 0.000 1.142 321 D HN 0.575 nan 8.370 nan 0.000 0.595 322 D N -2.336 118.075 120.400 0.018 0.000 2.462 322 D HA 0.120 4.760 4.640 -0.000 0.000 0.221 322 D C 0.024 176.492 176.300 0.280 0.000 1.173 322 D CA -0.804 53.334 54.000 0.230 0.000 0.831 322 D CB -1.013 40.032 40.800 0.408 0.000 1.001 322 D HN 0.431 nan 8.370 nan 0.000 0.499 323 F N 0.800 120.859 119.950 0.181 0.000 3.084 323 F HA -0.312 4.215 4.527 -0.000 0.000 0.286 323 F C 0.176 176.184 175.800 0.346 0.000 0.855 323 F CA 0.716 58.808 58.000 0.153 0.000 1.091 323 F CB -1.748 37.097 39.000 -0.259 0.000 1.177 323 F HN -0.006 nan 8.300 nan 0.000 0.542 324 D N -2.370 118.285 120.400 0.424 0.000 2.946 324 D HA -0.215 4.425 4.640 -0.000 0.000 0.202 324 D C 1.515 178.126 176.300 0.518 0.000 1.068 324 D CA 0.969 55.232 54.000 0.438 0.000 1.011 324 D CB -1.416 39.678 40.800 0.490 0.000 1.105 324 D HN 0.425 nan 8.370 nan 0.000 0.425 325 V N 1.445 121.668 119.914 0.515 0.000 2.317 325 V HA -0.357 3.763 4.120 -0.000 0.000 0.251 325 V C 2.540 178.825 176.094 0.320 0.000 1.065 325 V CA 3.618 66.111 62.300 0.322 0.000 1.049 325 V CB -0.497 31.367 31.823 0.068 0.000 0.651 325 V HN 0.567 nan 8.190 nan 0.000 0.450 326 S N -0.569 115.299 115.700 0.280 0.000 2.420 326 S HA -0.267 4.203 4.470 -0.000 0.000 0.237 326 S C 1.447 176.159 174.600 0.185 0.000 1.023 326 S CA 1.930 60.256 58.200 0.210 0.000 0.991 326 S CB -0.835 62.479 63.200 0.190 0.000 0.792 326 S HN 0.755 nan 8.310 nan 0.000 0.488 327 D N 0.384 120.934 120.400 0.250 0.000 2.317 327 D HA 0.137 4.777 4.640 -0.000 0.000 0.211 327 D C 0.910 177.192 176.300 -0.030 0.000 0.966 327 D CA 0.695 54.750 54.000 0.092 0.000 0.876 327 D CB -0.232 40.594 40.800 0.043 0.000 0.927 327 D HN 0.529 nan 8.370 nan 0.000 0.519 328 F N -0.304 119.683 119.950 0.061 0.000 2.656 328 F HA 0.125 4.652 4.527 -0.000 0.000 0.291 328 F C 1.786 177.609 175.800 0.040 0.000 1.122 328 F CA 0.031 58.059 58.000 0.046 0.000 1.427 328 F CB 0.045 39.075 39.000 0.050 0.000 1.125 328 F HN -0.080 nan 8.300 nan 0.000 0.583 329 L N -0.049 121.302 121.223 0.213 0.000 2.141 329 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 329 L C 2.209 179.112 176.870 0.055 0.000 1.094 329 L CA 1.451 56.386 54.840 0.158 0.000 0.763 329 L CB -2.180 39.924 42.059 0.076 0.000 0.908 329 L HN 0.185 nan 8.230 nan 0.000 0.437 330 T N -0.089 114.455 114.554 -0.016 0.000 2.656 330 T HA -0.334 4.016 4.350 -0.000 0.000 0.262 330 T C 1.859 176.517 174.700 -0.070 0.000 1.070 330 T CA 2.670 64.722 62.100 -0.080 0.000 1.160 330 T CB -0.943 67.880 68.868 -0.074 0.000 0.855 330 T HN 0.588 nan 8.240 nan 0.000 0.456 331 T N 0.870 115.414 114.554 -0.017 0.000 2.643 331 T HA -0.113 4.237 4.350 -0.000 0.000 0.264 331 T C 1.680 176.400 174.700 0.033 0.000 1.045 331 T CA 1.287 63.381 62.100 -0.010 0.000 1.155 331 T CB -1.015 67.845 68.868 -0.013 0.000 0.863 331 T HN 0.250 nan 8.240 nan 0.000 0.420 332 F N 2.506 122.419 119.950 -0.062 0.000 2.147 332 F HA -0.033 4.494 4.527 -0.000 0.000 0.301 332 F C 1.995 177.759 175.800 -0.060 0.000 1.084 332 F CA 0.677 58.650 58.000 -0.046 0.000 1.268 332 F CB -0.791 38.214 39.000 0.007 0.000 1.009 332 F HN 0.112 nan 8.300 nan 0.000 0.486 333 L N -0.937 120.157 121.223 -0.215 0.000 1.994 333 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 333 L C 2.653 179.316 176.870 -0.344 0.000 1.071 333 L CA 1.646 56.245 54.840 -0.401 0.000 0.745 333 L CB -1.183 40.596 42.059 -0.467 0.000 0.892 333 L HN 0.008 nan 8.230 nan 0.000 0.431 334 S N -0.801 114.761 115.700 -0.230 0.000 2.392 334 S HA -0.308 4.162 4.470 -0.000 0.000 0.232 334 S C 1.945 176.464 174.600 -0.135 0.000 1.041 334 S CA 1.552 59.650 58.200 -0.170 0.000 1.026 334 S CB -0.199 62.935 63.200 -0.111 0.000 0.845 334 S HN 0.340 nan 8.310 nan 0.000 0.465 335 Q N 0.571 120.300 119.800 -0.118 0.000 2.123 335 Q HA 0.150 4.490 4.340 -0.000 0.000 0.199 335 Q C 2.023 177.981 176.000 -0.071 0.000 0.966 335 Q CA 0.984 56.757 55.803 -0.050 0.000 0.845 335 Q CB -0.255 28.518 28.738 0.058 0.000 0.907 335 Q HN 0.496 nan 8.270 nan 0.000 0.439 336 L N -0.232 120.859 121.223 -0.221 0.000 2.046 336 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 336 L C 2.345 179.190 176.870 -0.041 0.000 1.077 336 L CA 1.165 55.909 54.840 -0.160 0.000 0.747 336 L CB -0.314 41.539 42.059 -0.343 0.000 0.896 336 L HN 0.159 nan 8.230 nan 0.000 0.432 337 R N -0.133 120.294 120.500 -0.120 0.000 2.115 337 R HA -0.068 4.272 4.340 -0.000 0.000 0.230 337 R C 2.271 178.552 176.300 -0.032 0.000 1.111 337 R CA 1.219 57.270 56.100 -0.081 0.000 0.976 337 R CB -0.412 29.784 30.300 -0.174 0.000 0.870 337 R HN 0.344 nan 8.270 nan 0.000 0.445 338 A N 0.853 123.647 122.820 -0.042 0.000 2.015 338 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 338 A C 1.884 179.459 177.584 -0.014 0.000 1.163 338 A CA 1.277 53.298 52.037 -0.027 0.000 0.646 338 A CB -0.259 18.722 19.000 -0.032 0.000 0.806 338 A HN 0.589 nan 8.150 nan 0.000 0.448 339 C N -3.602 115.696 119.300 -0.004 0.000 2.741 339 C HA 0.639 5.099 4.460 -0.000 0.000 0.267 339 C C 1.539 176.554 174.990 0.041 0.000 1.549 339 C CA -0.427 58.589 59.018 -0.002 0.000 1.772 339 C CB -0.818 26.887 27.740 -0.058 0.000 2.962 339 C HN 1.442 nan 8.230 nan 0.000 0.514 340 G N 1.600 110.436 108.800 0.061 0.000 2.219 340 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.271 340 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.271 340 G C 0.973 175.950 174.900 0.128 0.000 0.991 340 G CA 1.216 46.371 45.100 0.092 0.000 0.685 340 G HN 0.626 nan 8.290 nan 0.000 0.531 341 Q N -1.210 118.682 119.800 0.154 0.000 2.436 341 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 341 Q C 1.864 178.004 176.000 0.234 0.000 0.965 341 Q CA 1.036 56.958 55.803 0.197 0.000 0.910 341 Q CB -0.258 28.651 28.738 0.285 0.000 0.980 341 Q HN 0.755 nan 8.270 nan 0.000 0.491 342 Y N 2.572 122.921 120.300 0.081 0.000 2.096 342 Y HA -0.319 4.231 4.550 -0.000 0.000 0.278 342 Y C 1.636 177.651 175.900 0.193 0.000 1.192 342 Y CA 2.122 60.295 58.100 0.122 0.000 1.143 342 Y CB -0.030 38.483 38.460 0.088 0.000 0.963 342 Y HN 0.086 nan 8.280 nan 0.000 0.505 343 E N 0.093 120.274 120.200 -0.032 0.000 2.015 343 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 343 E C 2.405 178.978 176.600 -0.044 0.000 0.991 343 E CA 1.765 58.079 56.400 -0.143 0.000 0.802 343 E CB -0.536 29.130 29.700 -0.057 0.000 0.759 343 E HN 0.538 nan 8.360 nan 0.000 0.447 344 I N 0.260 120.847 120.570 0.028 0.000 2.145 344 I HA -0.310 3.860 4.170 -0.000 0.000 0.244 344 I C 2.208 178.331 176.117 0.011 0.000 1.075 344 I CA 1.288 62.604 61.300 0.026 0.000 1.332 344 I CB -0.359 37.683 38.000 0.070 0.000 1.033 344 I HN 0.078 nan 8.210 nan 0.000 0.410 345 F N 1.217 121.124 119.950 -0.073 0.000 2.102 345 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 345 F C 2.923 178.579 175.800 -0.240 0.000 1.105 345 F CA 1.975 59.883 58.000 -0.154 0.000 1.239 345 F CB -0.395 38.529 39.000 -0.126 0.000 0.991 345 F HN -0.041 nan 8.300 nan 0.000 0.474 346 S N -0.158 115.533 115.700 -0.015 0.000 2.359 346 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 346 S C 1.926 176.424 174.600 -0.170 0.000 1.035 346 S CA 1.816 59.981 58.200 -0.058 0.000 1.018 346 S CB -0.625 62.635 63.200 0.101 0.000 0.876 346 S HN 0.451 nan 8.310 nan 0.000 0.448 347 D N 1.116 121.430 120.400 -0.144 0.000 2.123 347 D HA -0.079 4.561 4.640 -0.000 0.000 0.196 347 D C 2.178 178.352 176.300 -0.209 0.000 0.992 347 D CA 1.335 55.252 54.000 -0.140 0.000 0.833 347 D CB -0.476 40.263 40.800 -0.102 0.000 0.954 347 D HN 0.512 nan 8.370 nan 0.000 0.455 348 A N 0.828 123.471 122.820 -0.296 0.000 1.933 348 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 348 A C 2.175 179.475 177.584 -0.473 0.000 1.175 348 A CA 1.133 52.942 52.037 -0.379 0.000 0.628 348 A CB -0.314 18.410 19.000 -0.460 0.000 0.814 348 A HN 0.090 nan 8.150 nan 0.000 0.444 349 M N -0.016 119.215 119.600 -0.614 0.000 2.175 349 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 349 M C 1.409 177.518 176.300 -0.318 0.000 1.063 349 M CA 1.253 56.208 55.300 -0.575 0.000 1.119 349 M CB -1.366 30.789 32.600 -0.741 0.000 1.377 349 M HN 0.381 nan 8.290 nan 0.000 0.415 350 D N 0.230 120.482 120.400 -0.246 0.000 2.149 350 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 350 D C 2.034 178.249 176.300 -0.142 0.000 0.990 350 D CA 1.283 55.177 54.000 -0.177 0.000 0.839 350 D CB -0.136 40.595 40.800 -0.116 0.000 0.948 350 D HN 0.527 nan 8.370 nan 0.000 0.460 351 Q N -0.056 119.647 119.800 -0.162 0.000 2.083 351 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 351 Q C 2.265 178.176 176.000 -0.148 0.000 0.969 351 Q CA 0.230 55.953 55.803 -0.134 0.000 0.838 351 Q CB -0.013 28.636 28.738 -0.149 0.000 0.900 351 Q HN 0.185 nan 8.270 nan 0.000 0.436 352 L N 1.026 122.123 121.223 -0.211 0.000 1.990 352 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 352 L C 1.870 178.662 176.870 -0.129 0.000 1.072 352 L CA 2.240 56.953 54.840 -0.212 0.000 0.755 352 L CB -1.234 40.651 42.059 -0.291 0.000 0.889 352 L HN 0.281 nan 8.230 nan 0.000 0.432 353 T N 0.147 114.631 114.554 -0.116 0.000 2.701 353 T HA -0.148 4.202 4.350 -0.000 0.000 0.263 353 T C 1.698 176.404 174.700 0.011 0.000 1.040 353 T CA 1.567 63.635 62.100 -0.053 0.000 1.147 353 T CB -0.279 68.500 68.868 -0.150 0.000 0.865 353 T HN 0.314 nan 8.240 nan 0.000 0.426 354 N N 0.834 119.541 118.700 0.010 0.000 2.018 354 N HA -0.096 4.644 4.740 -0.000 0.000 0.196 354 N C 2.126 177.643 175.510 0.012 0.000 1.043 354 N CA 1.520 54.599 53.050 0.048 0.000 0.856 354 N CB -0.611 37.892 38.487 0.026 0.000 1.042 354 N HN 0.183 nan 8.380 nan 0.000 0.423 355 S N -0.330 115.351 115.700 -0.031 0.000 2.370 355 S HA -0.104 4.366 4.470 -0.000 0.000 0.226 355 S C 1.810 176.391 174.600 -0.031 0.000 1.033 355 S CA 0.874 59.048 58.200 -0.044 0.000 1.011 355 S CB -0.444 62.708 63.200 -0.081 0.000 0.852 355 S HN 0.324 nan 8.310 nan 0.000 0.457 356 L N 1.718 122.925 121.223 -0.026 0.000 2.046 356 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 356 L C 1.953 178.867 176.870 0.074 0.000 1.077 356 L CA 1.751 56.589 54.840 -0.003 0.000 0.747 356 L CB -0.689 41.373 42.059 0.005 0.000 0.896 356 L HN 0.399 nan 8.230 nan 0.000 0.432 357 I N -0.963 119.649 120.570 0.071 0.000 2.179 357 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 357 I C 2.284 178.461 176.117 0.100 0.000 1.088 357 I CA 1.634 62.989 61.300 0.092 0.000 1.357 357 I CB -0.954 37.087 38.000 0.067 0.000 1.051 357 I HN 0.292 nan 8.210 nan 0.000 0.409 358 T N 1.422 116.004 114.554 0.046 0.000 2.592 358 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 358 T C 1.499 176.201 174.700 0.004 0.000 1.060 358 T CA 2.083 64.193 62.100 0.018 0.000 1.167 358 T CB -0.664 68.200 68.868 -0.006 0.000 0.863 358 T HN 0.444 nan 8.240 nan 0.000 0.431 359 N N -0.001 118.681 118.700 -0.030 0.000 2.519 359 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 359 N C 1.268 176.655 175.510 -0.206 0.000 1.062 359 N CA 0.876 53.856 53.050 -0.117 0.000 0.910 359 N CB -0.212 38.170 38.487 -0.174 0.000 0.958 359 N HN 0.523 nan 8.380 nan 0.000 0.445 360 Y N 0.577 120.837 120.300 -0.066 0.000 2.490 360 Y HA 0.220 4.770 4.550 -0.000 0.000 0.285 360 Y C 0.906 176.781 175.900 -0.042 0.000 1.117 360 Y CA 0.328 58.390 58.100 -0.063 0.000 1.262 360 Y CB 0.375 38.784 38.460 -0.084 0.000 1.043 360 Y HN -0.075 nan 8.280 nan 0.000 0.553 361 M N 0.073 119.716 119.600 0.072 0.000 2.243 361 M HA 0.237 4.717 4.480 -0.000 0.000 0.324 361 M C -1.466 174.838 176.300 0.007 0.000 1.031 361 M CA -0.579 54.743 55.300 0.038 0.000 0.949 361 M CB 1.662 34.281 32.600 0.033 0.000 1.615 361 M HN -0.181 nan 8.290 nan 0.000 0.430 362 D N 5.313 125.714 120.400 0.002 0.000 2.232 362 D HA 0.437 5.077 4.640 -0.000 0.000 0.242 362 D C -2.106 174.192 176.300 -0.003 0.000 1.093 362 D CA -0.972 53.024 54.000 -0.006 0.000 0.845 362 D CB 1.521 42.317 40.800 -0.007 0.000 1.124 362 D HN 0.465 nan 8.370 nan 0.000 0.467 363 P HA 0.326 nan 4.420 nan 0.000 0.279 363 P C -2.623 174.671 177.300 -0.010 0.000 1.239 363 P CA -1.430 61.665 63.100 -0.009 0.000 0.789 363 P CB 0.152 31.847 31.700 -0.008 0.000 0.933 364 P HA 0.134 nan 4.420 nan 0.000 0.208 364 P C -0.770 176.522 177.300 -0.013 0.000 1.341 364 P CA 0.950 64.040 63.100 -0.015 0.000 1.235 364 P CB -0.737 30.951 31.700 -0.020 0.000 1.764 365 A N 2.437 125.252 122.820 -0.010 0.000 2.488 365 A HA 0.465 4.785 4.320 -0.000 0.000 0.298 365 A C -0.272 177.307 177.584 -0.009 0.000 1.044 365 A CA -0.801 51.230 52.037 -0.011 0.000 0.693 365 A CB 0.982 19.975 19.000 -0.012 0.000 1.272 365 A HN 0.167 nan 8.150 nan 0.000 0.402 366 I N 3.899 124.463 120.570 -0.009 0.000 2.821 366 I HA 0.061 4.231 4.170 -0.000 0.000 0.294 366 I C -1.406 174.700 176.117 -0.019 0.000 1.210 366 I CA -0.417 60.877 61.300 -0.009 0.000 1.430 366 I CB 0.324 38.319 38.000 -0.008 0.000 1.356 366 I HN 0.486 nan 8.210 nan 0.000 0.563 367 P HA 0.114 nan 4.420 nan 0.000 0.271 367 P C -0.520 176.753 177.300 -0.045 0.000 1.218 367 P CA -0.434 62.646 63.100 -0.033 0.000 0.780 367 P CB 0.839 32.516 31.700 -0.038 0.000 0.901 368 A N 2.174 124.970 122.820 -0.040 0.000 2.498 368 A HA 0.432 4.752 4.320 -0.000 0.000 0.239 368 A C 1.367 178.917 177.584 -0.058 0.000 1.068 368 A CA 0.554 52.565 52.037 -0.043 0.000 0.766 368 A CB -1.232 17.747 19.000 -0.035 0.000 1.003 368 A HN 0.971 nan 8.150 nan 0.000 0.497 369 G N -0.070 108.692 108.800 -0.063 0.000 2.212 369 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.255 369 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.255 369 G C -0.327 174.504 174.900 -0.116 0.000 1.062 369 G CA 0.369 45.422 45.100 -0.078 0.000 0.815 369 G HN 1.740 nan 8.290 nan 0.000 0.497 370 L N 0.486 121.630 121.223 -0.131 0.000 2.318 370 L HA 0.862 5.202 4.340 -0.000 0.000 0.277 370 L C 0.041 176.775 176.870 -0.227 0.000 1.008 370 L CA -0.318 54.391 54.840 -0.218 0.000 0.846 370 L CB 1.214 43.151 42.059 -0.203 0.000 1.220 370 L HN 0.996 nan 8.230 nan 0.000 0.423 371 A N 4.825 127.476 122.820 -0.282 0.000 2.402 371 A HA 0.645 4.965 4.320 -0.000 0.000 0.291 371 A C -1.199 176.240 177.584 -0.242 0.000 1.051 371 A CA -0.389 51.538 52.037 -0.184 0.000 0.716 371 A CB 0.389 19.335 19.000 -0.091 0.000 1.223 371 A HN 0.494 nan 8.150 nan 0.000 0.425 372 F N 1.575 121.499 119.950 -0.044 0.000 2.443 372 F HA 0.301 4.828 4.527 -0.000 0.000 0.353 372 F C 1.966 177.735 175.800 -0.051 0.000 1.101 372 F CA 1.019 58.988 58.000 -0.052 0.000 1.226 372 F CB 1.606 40.576 39.000 -0.050 0.000 1.140 372 F HN 0.665 nan 8.300 nan 0.000 0.557 373 T N -2.548 112.077 114.554 0.117 0.000 3.060 373 T HA 0.169 4.519 4.350 -0.000 0.000 0.249 373 T C 0.338 175.058 174.700 0.033 0.000 1.079 373 T CA 0.295 62.422 62.100 0.046 0.000 1.013 373 T CB -0.238 68.634 68.868 0.006 0.000 0.975 373 T HN 0.462 nan 8.240 nan 0.000 0.518 374 S N 0.363 116.093 115.700 0.050 0.000 2.627 374 S HA 0.768 5.238 4.470 -0.000 0.000 0.283 374 S C -3.330 171.196 174.600 -0.124 0.000 1.127 374 S CA -1.664 56.505 58.200 -0.052 0.000 0.863 374 S CB 1.675 64.828 63.200 -0.079 0.000 1.121 374 S HN -0.043 nan 8.310 nan 0.000 0.479 375 P HA 0.161 nan 4.420 nan 0.000 0.275 375 P C 1.029 178.096 177.300 -0.389 0.000 1.266 375 P CA -0.697 62.188 63.100 -0.360 0.000 0.793 375 P CB 0.211 31.510 31.700 -0.668 0.000 1.074 376 W N 1.366 122.513 121.300 -0.255 0.000 2.387 376 W HA -0.132 4.528 4.660 -0.000 0.000 0.272 376 W C 0.533 177.104 176.519 0.086 0.000 1.224 376 W CA 0.839 58.123 57.345 -0.101 0.000 1.210 376 W CB -1.498 27.977 29.460 0.025 0.000 1.125 376 W HN 0.288 nan 8.180 nan 0.000 0.572 377 F N 0.699 120.118 119.950 -0.885 0.000 2.639 377 F HA 0.499 5.026 4.527 -0.000 0.000 0.300 377 F C 1.135 176.772 175.800 -0.272 0.000 1.109 377 F CA -1.066 56.441 58.000 -0.822 0.000 1.335 377 F CB -0.679 37.504 39.000 -1.363 0.000 1.014 377 F HN -0.316 nan 8.300 nan 0.000 0.537 378 R N 0.228 120.552 120.500 -0.293 0.000 2.935 378 R HA 0.120 4.460 4.340 -0.000 0.000 0.354 378 R C 0.779 177.106 176.300 0.045 0.000 1.206 378 R CA -0.352 55.691 56.100 -0.095 0.000 1.082 378 R CB -0.736 29.432 30.300 -0.221 0.000 1.431 378 R HN 0.356 nan 8.270 nan 0.000 0.582 379 F N 2.453 122.404 119.950 0.001 0.000 2.101 379 F HA -0.440 4.087 4.527 -0.000 0.000 0.298 379 F C 2.348 178.206 175.800 0.097 0.000 1.076 379 F CA 2.540 60.594 58.000 0.089 0.000 1.248 379 F CB -0.044 39.065 39.000 0.182 0.000 0.999 379 F HN 0.193 nan 8.300 nan 0.000 0.488 380 S N -0.708 115.153 115.700 0.268 0.000 2.392 380 S HA -0.294 4.176 4.470 -0.000 0.000 0.232 380 S C 1.734 176.339 174.600 0.008 0.000 1.041 380 S CA 1.729 60.012 58.200 0.137 0.000 1.026 380 S CB -0.795 62.470 63.200 0.109 0.000 0.845 380 S HN 0.701 nan 8.310 nan 0.000 0.465 381 E N 1.117 121.310 120.200 -0.011 0.000 2.042 381 E HA 0.058 4.408 4.350 -0.000 0.000 0.189 381 E C 2.549 179.126 176.600 -0.039 0.000 0.974 381 E CA 0.434 56.818 56.400 -0.027 0.000 0.806 381 E CB -0.169 29.519 29.700 -0.020 0.000 0.769 381 E HN 0.436 nan 8.360 nan 0.000 0.451 382 R N 0.776 121.240 120.500 -0.059 0.000 2.127 382 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 382 R C 2.315 178.548 176.300 -0.112 0.000 1.134 382 R CA 1.025 57.138 56.100 0.021 0.000 0.975 382 R CB -0.317 29.921 30.300 -0.104 0.000 0.865 382 R HN 0.115 nan 8.270 nan 0.000 0.447 383 A N 1.203 123.819 122.820 -0.341 0.000 1.933 383 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 383 A C 2.158 179.665 177.584 -0.127 0.000 1.175 383 A CA 1.299 53.147 52.037 -0.315 0.000 0.628 383 A CB -0.428 18.407 19.000 -0.274 0.000 0.814 383 A HN 0.243 nan 8.150 nan 0.000 0.444 384 R N -0.741 119.704 120.500 -0.092 0.000 2.061 384 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 384 R C 2.219 178.474 176.300 -0.075 0.000 1.140 384 R CA 2.125 58.185 56.100 -0.067 0.000 0.940 384 R CB -0.828 29.442 30.300 -0.050 0.000 0.839 384 R HN 0.441 nan 8.270 nan 0.000 0.429 385 T N 1.610 116.118 114.554 -0.076 0.000 2.649 385 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 385 T C 1.833 176.436 174.700 -0.163 0.000 1.036 385 T CA 1.913 63.932 62.100 -0.135 0.000 1.157 385 T CB -0.232 68.523 68.868 -0.187 0.000 0.861 385 T HN 0.257 nan 8.240 nan 0.000 0.445 386 I N 0.319 120.820 120.570 -0.114 0.000 2.315 386 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 386 I C 1.954 178.018 176.117 -0.090 0.000 1.117 386 I CA 1.122 62.362 61.300 -0.101 0.000 1.404 386 I CB -0.296 37.680 38.000 -0.039 0.000 1.071 386 I HN 0.206 nan 8.210 nan 0.000 0.419 387 L N 0.479 121.655 121.223 -0.078 0.000 2.610 387 L HA 0.020 4.360 4.340 -0.000 0.000 0.232 387 L C 2.123 178.954 176.870 -0.065 0.000 1.149 387 L CA 0.114 54.915 54.840 -0.065 0.000 0.872 387 L CB -0.267 41.759 42.059 -0.055 0.000 0.992 387 L HN 0.182 nan 8.230 nan 0.000 0.447 388 A N -0.644 122.129 122.820 -0.079 0.000 2.303 388 A HA 0.266 4.586 4.320 -0.000 0.000 0.217 388 A C 0.896 178.434 177.584 -0.077 0.000 1.205 388 A CA -0.317 51.675 52.037 -0.074 0.000 0.875 388 A CB 0.104 19.056 19.000 -0.081 0.000 0.910 388 A HN 0.211 nan 8.150 nan 0.000 0.501 389 L N 1.117 122.289 121.223 -0.085 0.000 2.500 389 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 389 L C 1.364 178.199 176.870 -0.058 0.000 1.149 389 L CA -0.515 54.277 54.840 -0.080 0.000 0.897 389 L CB 0.485 42.492 42.059 -0.086 0.000 1.178 389 L HN 0.378 nan 8.230 nan 0.000 0.473 390 Q N 2.637 122.406 119.800 -0.051 0.000 2.049 390 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 390 Q C 1.710 177.691 176.000 -0.033 0.000 0.971 390 Q CA 1.404 57.184 55.803 -0.039 0.000 0.833 390 Q CB -0.089 28.628 28.738 -0.035 0.000 0.896 390 Q HN 0.799 nan 8.270 nan 0.000 0.434 391 N N 0.323 119.002 118.700 -0.035 0.000 2.573 391 N HA -0.055 4.685 4.740 -0.000 0.000 0.187 391 N C 0.334 175.829 175.510 -0.025 0.000 1.107 391 N CA 0.270 53.303 53.050 -0.028 0.000 0.918 391 N CB -0.075 38.395 38.487 -0.029 0.000 0.966 391 N HN -0.051 nan 8.380 nan 0.000 0.448 392 V N 1.396 121.293 119.914 -0.029 0.000 2.481 392 V HA 0.097 4.217 4.120 -0.000 0.000 0.286 392 V C 0.630 176.711 176.094 -0.020 0.000 1.042 392 V CA -1.205 61.081 62.300 -0.023 0.000 0.928 392 V CB 1.597 33.401 31.823 -0.032 0.000 0.986 392 V HN 0.127 nan 8.190 nan 0.000 0.462 393 D N 1.681 122.075 120.400 -0.011 0.000 2.370 393 D HA -0.059 4.581 4.640 -0.000 0.000 0.235 393 D C 0.782 177.072 176.300 -0.017 0.000 1.228 393 D CA 0.062 54.056 54.000 -0.009 0.000 0.884 393 D CB 1.136 41.937 40.800 0.002 0.000 1.201 393 D HN 0.460 nan 8.370 nan 0.000 0.456 394 L N 3.417 124.630 121.223 -0.016 0.000 2.068 394 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 394 L C 1.947 178.802 176.870 -0.025 0.000 1.076 394 L CA 1.086 55.913 54.840 -0.023 0.000 0.753 394 L CB -0.589 41.459 42.059 -0.018 0.000 0.910 394 L HN 0.390 nan 8.230 nan 0.000 0.439 395 N N 0.788 119.479 118.700 -0.015 0.000 2.018 395 N HA -0.231 4.509 4.740 -0.000 0.000 0.196 395 N C 1.984 177.476 175.510 -0.031 0.000 1.043 395 N CA 2.345 55.387 53.050 -0.014 0.000 0.856 395 N CB -0.642 37.847 38.487 0.003 0.000 1.042 395 N HN 0.678 nan 8.380 nan 0.000 0.423 396 I N -0.913 119.649 120.570 -0.015 0.000 2.657 396 I HA -0.137 4.033 4.170 -0.000 0.000 0.261 396 I C 2.383 178.425 176.117 -0.124 0.000 1.212 396 I CA 1.128 62.413 61.300 -0.024 0.000 1.453 396 I CB -0.220 37.817 38.000 0.062 0.000 1.092 396 I HN -0.007 nan 8.210 nan 0.000 0.452 397 R N 1.686 122.133 120.500 -0.089 0.000 2.073 397 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 397 R C 2.320 178.548 176.300 -0.119 0.000 1.120 397 R CA 1.384 57.423 56.100 -0.102 0.000 0.967 397 R CB -0.009 30.251 30.300 -0.066 0.000 0.862 397 R HN 0.410 nan 8.270 nan 0.000 0.436 398 K N 0.323 120.668 120.400 -0.092 0.000 2.026 398 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 398 K C 2.110 178.637 176.600 -0.122 0.000 1.048 398 K CA 1.280 57.525 56.287 -0.070 0.000 0.929 398 K CB -0.140 32.336 32.500 -0.040 0.000 0.713 398 K HN 0.170 nan 8.250 nan 0.000 0.439 399 L N 0.965 122.060 121.223 -0.213 0.000 2.012 399 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 399 L C 2.439 179.009 176.870 -0.500 0.000 1.073 399 L CA 1.354 55.966 54.840 -0.380 0.000 0.748 399 L CB -0.732 41.089 42.059 -0.396 0.000 0.891 399 L HN 0.216 nan 8.230 nan 0.000 0.431 400 I N -0.388 119.826 120.570 -0.594 0.000 2.248 400 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 400 I C 2.445 178.491 176.117 -0.118 0.000 1.107 400 I CA 1.238 62.231 61.300 -0.511 0.000 1.373 400 I CB -0.289 37.486 38.000 -0.375 0.000 1.055 400 I HN 0.090 nan 8.210 nan 0.000 0.418 401 V N 0.388 120.287 119.914 -0.026 0.000 2.302 401 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 401 V C 2.527 178.850 176.094 0.382 0.000 1.036 401 V CA 1.482 63.897 62.300 0.192 0.000 1.020 401 V CB -0.713 31.205 31.823 0.159 0.000 0.657 401 V HN 0.327 nan 8.190 nan 0.000 0.453 402 R N -0.413 120.205 120.500 0.198 0.000 2.112 402 R HA -0.271 4.069 4.340 -0.000 0.000 0.242 402 R C 2.312 178.863 176.300 0.419 0.000 1.137 402 R CA 2.491 58.733 56.100 0.237 0.000 0.944 402 R CB -0.725 29.611 30.300 0.061 0.000 0.857 402 R HN 0.680 nan 8.270 nan 0.000 0.435 403 H N 0.283 119.383 119.070 0.050 0.000 2.293 403 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 403 H C 2.081 177.635 175.328 0.377 0.000 1.082 403 H CA 1.725 57.933 56.048 0.266 0.000 1.308 403 H CB -0.092 29.644 29.762 -0.043 0.000 1.375 403 H HN 0.064 nan 8.280 nan 0.000 0.495 404 L N -0.261 121.275 121.223 0.522 0.000 2.127 404 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 404 L C 2.082 179.274 176.870 0.537 0.000 1.089 404 L CA 1.667 56.804 54.840 0.496 0.000 0.757 404 L CB -0.612 41.711 42.059 0.439 0.000 0.899 404 L HN 0.484 nan 8.230 nan 0.000 0.434 405 W N -0.795 120.733 121.300 0.380 0.000 2.353 405 W HA -0.195 4.465 4.660 -0.000 0.000 0.319 405 W C 2.372 178.889 176.519 -0.003 0.000 1.207 405 W CA 2.471 59.793 57.345 -0.039 0.000 1.291 405 W CB -0.526 28.901 29.460 -0.054 0.000 1.159 405 W HN -0.077 nan 8.180 nan 0.000 0.478 406 V N 1.389 121.508 119.914 0.342 0.000 2.250 406 V HA -0.402 3.718 4.120 -0.000 0.000 0.250 406 V C 2.297 178.364 176.094 -0.045 0.000 1.060 406 V CA 2.120 64.501 62.300 0.136 0.000 1.030 406 V CB -1.206 30.762 31.823 0.242 0.000 0.643 406 V HN 0.200 nan 8.190 nan 0.000 0.445 407 I N 0.246 120.830 120.570 0.022 0.000 2.151 407 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 407 I C 2.534 178.617 176.117 -0.058 0.000 1.080 407 I CA 2.330 63.591 61.300 -0.064 0.000 1.339 407 I CB -1.806 36.178 38.000 -0.027 0.000 1.039 407 I HN 0.387 nan 8.210 nan 0.000 0.409 408 T N 0.990 115.509 114.554 -0.058 0.000 2.674 408 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 408 T C 2.105 176.696 174.700 -0.182 0.000 1.039 408 T CA 2.154 64.238 62.100 -0.026 0.000 1.150 408 T CB -0.468 68.355 68.868 -0.075 0.000 0.864 408 T HN 0.573 nan 8.240 nan 0.000 0.427 409 S N 2.353 117.722 115.700 -0.552 0.000 2.365 409 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 409 S C 2.128 176.617 174.600 -0.186 0.000 1.039 409 S CA 1.213 59.069 58.200 -0.574 0.000 1.033 409 S CB -1.088 61.534 63.200 -0.964 0.000 0.887 409 S HN 0.459 nan 8.310 nan 0.000 0.447 410 L N 0.810 121.986 121.223 -0.079 0.000 2.013 410 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 410 L C 2.760 179.706 176.870 0.126 0.000 1.073 410 L CA 1.844 56.751 54.840 0.110 0.000 0.753 410 L CB -0.721 41.348 42.059 0.016 0.000 0.890 410 L HN 0.366 nan 8.230 nan 0.000 0.432 411 I N -0.147 120.485 120.570 0.103 0.000 2.127 411 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 411 I C 2.826 178.874 176.117 -0.115 0.000 1.075 411 I CA 1.258 62.617 61.300 0.098 0.000 1.334 411 I CB -0.523 37.566 38.000 0.150 0.000 1.040 411 I HN 0.229 nan 8.210 nan 0.000 0.405 412 A N 0.223 123.046 122.820 0.005 0.000 1.997 412 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 412 A C 2.391 179.975 177.584 -0.001 0.000 1.172 412 A CA 2.097 54.161 52.037 0.046 0.000 0.645 412 A CB -0.862 18.192 19.000 0.090 0.000 0.813 412 A HN 0.303 nan 8.150 nan 0.000 0.454 413 V N -2.089 117.818 119.914 -0.012 0.000 2.331 413 V HA -0.087 4.033 4.120 -0.000 0.000 0.242 413 V C 2.169 178.156 176.094 -0.178 0.000 1.034 413 V CA 1.647 63.916 62.300 -0.052 0.000 1.027 413 V CB -0.834 30.977 31.823 -0.021 0.000 0.667 413 V HN 0.538 nan 8.190 nan 0.000 0.457 414 F N 1.368 121.093 119.950 -0.375 0.000 2.325 414 F HA 0.090 4.617 4.527 -0.000 0.000 0.299 414 F C 2.294 177.825 175.800 -0.449 0.000 1.090 414 F CA 1.295 58.951 58.000 -0.574 0.000 1.392 414 F CB -0.891 37.257 39.000 -1.421 0.000 1.053 414 F HN 0.208 nan 8.300 nan 0.000 0.521 415 G N -0.542 108.082 108.800 -0.293 0.000 2.551 415 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 415 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 415 G C 1.678 176.599 174.900 0.035 0.000 1.137 415 G CA 0.034 44.983 45.100 -0.253 0.000 0.798 415 G HN 0.173 nan 8.290 nan 0.000 0.536 416 R N -0.393 120.049 120.500 -0.097 0.000 2.190 416 R HA -0.241 4.099 4.340 -0.000 0.000 0.255 416 R C 1.507 177.674 176.300 -0.222 0.000 1.143 416 R CA 2.000 57.986 56.100 -0.190 0.000 0.965 416 R CB -0.620 29.362 30.300 -0.531 0.000 0.889 416 R HN 0.562 nan 8.270 nan 0.000 0.448 417 Y N -1.279 119.121 120.300 0.166 0.000 2.470 417 Y HA 0.045 4.595 4.550 -0.000 0.000 0.302 417 Y C 0.180 176.210 175.900 0.216 0.000 1.194 417 Y CA -0.802 57.388 58.100 0.151 0.000 1.271 417 Y CB -0.385 38.127 38.460 0.087 0.000 1.092 417 Y HN 0.050 nan 8.280 nan 0.000 0.513 418 Y N 2.913 123.340 120.300 0.213 0.000 2.721 418 Y HA 0.164 4.714 4.550 -0.000 0.000 0.329 418 Y C 0.371 176.352 175.900 0.134 0.000 1.211 418 Y CA -0.504 57.716 58.100 0.200 0.000 1.512 418 Y CB 0.160 38.777 38.460 0.263 0.000 1.249 418 Y HN 0.214 nan 8.280 nan 0.000 0.549 419 R N 7.635 127.993 120.500 -0.235 0.000 3.090 419 R HA 0.220 4.560 4.340 -0.000 0.000 0.279 419 R C -2.737 173.409 176.300 -0.256 0.000 1.462 419 R CA -1.058 54.881 56.100 -0.267 0.000 1.044 419 R CB 0.926 31.186 30.300 -0.067 0.000 1.365 419 R HN 0.422 nan 8.270 nan 0.000 0.399 420 P HA -0.088 nan 4.420 nan 0.000 0.213 420 P C -0.431 176.815 177.300 -0.090 0.000 1.176 420 P CA 0.479 63.461 63.100 -0.197 0.000 0.894 420 P CB -0.097 31.469 31.700 -0.222 0.000 0.771 421 N N 0.000 118.647 118.700 -0.089 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.023 53.050 -0.045 0.000 0.885 421 N CB 0.000 38.460 38.487 -0.044 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667