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 3fkv_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSRTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.435 177.584 -0.248 0.000 1.274 4 A CA 0.000 51.883 52.037 -0.257 0.000 0.836 4 A CB 0.000 18.845 19.000 -0.258 0.000 0.831 5 P HA 0.030 nan 4.420 nan 0.000 0.264 5 P C 0.753 177.938 177.300 -0.191 0.000 1.179 5 P CA 0.013 62.962 63.100 -0.252 0.000 0.763 5 P CB 0.602 32.099 31.700 -0.338 0.000 0.806 6 Q N 2.423 122.153 119.800 -0.116 0.000 2.181 6 Q HA -0.257 4.083 4.340 -0.000 0.000 0.205 6 Q C 1.731 177.679 176.000 -0.087 0.000 0.980 6 Q CA 1.797 57.556 55.803 -0.073 0.000 0.862 6 Q CB -0.087 28.624 28.738 -0.045 0.000 0.905 6 Q HN 0.541 nan 8.270 nan 0.000 0.429 7 Q N -0.215 119.506 119.800 -0.132 0.000 2.096 7 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 7 Q C 2.213 178.110 176.000 -0.170 0.000 0.982 7 Q CA 1.446 57.162 55.803 -0.145 0.000 0.850 7 Q CB -0.031 28.598 28.738 -0.182 0.000 0.901 7 Q HN 0.482 nan 8.270 nan 0.000 0.422 8 I N 0.697 121.122 120.570 -0.241 0.000 2.233 8 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 8 I C 1.917 177.984 176.117 -0.083 0.000 1.093 8 I CA 0.638 61.814 61.300 -0.207 0.000 1.380 8 I CB -0.415 37.414 38.000 -0.284 0.000 1.067 8 I HN 0.179 nan 8.210 nan 0.000 0.413 9 N N 0.960 119.662 118.700 0.003 0.000 2.104 9 N HA -0.237 4.503 4.740 -0.000 0.000 0.190 9 N C 1.527 177.075 175.510 0.063 0.000 1.024 9 N CA 1.790 54.905 53.050 0.108 0.000 0.853 9 N CB -0.508 38.038 38.487 0.098 0.000 1.008 9 N HN 0.383 nan 8.380 nan 0.000 0.424 10 D N 0.396 120.812 120.400 0.026 0.000 2.084 10 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 10 D C 1.877 178.192 176.300 0.026 0.000 0.990 10 D CA 0.604 54.630 54.000 0.043 0.000 0.826 10 D CB -0.199 40.607 40.800 0.009 0.000 0.971 10 D HN 0.095 nan 8.370 nan 0.000 0.453 11 I N -0.199 120.354 120.570 -0.027 0.000 2.315 11 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 11 I C 2.093 178.183 176.117 -0.044 0.000 1.117 11 I CA 0.777 62.054 61.300 -0.039 0.000 1.404 11 I CB -0.194 37.770 38.000 -0.059 0.000 1.071 11 I HN -0.015 nan 8.210 nan 0.000 0.419 12 V N 0.087 119.942 119.914 -0.099 0.000 2.358 12 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 12 V C 2.534 178.671 176.094 0.072 0.000 1.047 12 V CA 2.242 64.454 62.300 -0.146 0.000 1.035 12 V CB -1.057 30.393 31.823 -0.621 0.000 0.658 12 V HN 0.539 nan 8.190 nan 0.000 0.452 13 H N 0.680 119.766 119.070 0.028 0.000 2.395 13 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 13 H C 2.377 177.753 175.328 0.080 0.000 1.070 13 H CA 1.669 57.799 56.048 0.136 0.000 1.356 13 H CB -0.061 29.773 29.762 0.120 0.000 1.401 13 H HN 0.259 nan 8.280 nan 0.000 0.524 14 R N -1.018 119.460 120.500 -0.036 0.000 2.235 14 R HA -0.009 4.331 4.340 -0.000 0.000 0.213 14 R C 1.427 177.682 176.300 -0.075 0.000 1.059 14 R CA 1.482 57.518 56.100 -0.106 0.000 0.997 14 R CB 0.280 30.546 30.300 -0.057 0.000 0.884 14 R HN 0.339 nan 8.270 nan 0.000 0.462 15 T N 0.315 114.843 114.554 -0.042 0.000 3.053 15 T HA 0.120 4.470 4.350 -0.000 0.000 0.236 15 T C 1.727 176.381 174.700 -0.076 0.000 0.996 15 T CA 0.191 62.268 62.100 -0.037 0.000 1.185 15 T CB 0.213 69.077 68.868 -0.007 0.000 0.892 15 T HN -0.052 nan 8.240 nan 0.000 0.432 16 I N 2.212 122.724 120.570 -0.096 0.000 2.286 16 I HA -0.060 4.110 4.170 -0.000 0.000 0.245 16 I C 2.586 178.471 176.117 -0.387 0.000 1.104 16 I CA 1.371 62.507 61.300 -0.274 0.000 1.397 16 I CB -1.845 35.899 38.000 -0.426 0.000 1.072 16 I HN 0.251 nan 8.210 nan 0.000 0.417 17 T N 2.194 116.645 114.554 -0.172 0.000 2.684 17 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 17 T C -0.247 174.357 174.700 -0.159 0.000 1.036 17 T CA 1.671 63.705 62.100 -0.110 0.000 1.148 17 T CB -1.366 67.680 68.868 0.296 0.000 0.863 17 T HN 0.233 nan 8.240 nan 0.000 0.436 18 P HA 0.006 nan 4.420 nan 0.000 0.217 18 P C 1.657 178.877 177.300 -0.134 0.000 1.150 18 P CA 0.437 63.468 63.100 -0.116 0.000 0.832 18 P CB -0.183 31.460 31.700 -0.095 0.000 0.787 19 L N -0.402 120.723 121.223 -0.163 0.000 2.013 19 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 19 L C 2.157 178.869 176.870 -0.264 0.000 1.073 19 L CA 1.919 56.648 54.840 -0.186 0.000 0.753 19 L CB -1.187 40.760 42.059 -0.185 0.000 0.890 19 L HN -0.124 nan 8.230 nan 0.000 0.432 20 I N -0.622 119.749 120.570 -0.333 0.000 2.208 20 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 20 I C 2.462 178.458 176.117 -0.202 0.000 1.097 20 I CA 1.121 62.224 61.300 -0.329 0.000 1.363 20 I CB -0.493 37.258 38.000 -0.414 0.000 1.051 20 I HN 0.333 nan 8.210 nan 0.000 0.413 21 E N 0.704 120.813 120.200 -0.152 0.000 2.051 21 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 21 E C 2.175 178.725 176.600 -0.084 0.000 0.991 21 E CA 1.350 57.695 56.400 -0.092 0.000 0.799 21 E CB -0.426 29.236 29.700 -0.063 0.000 0.748 21 E HN 0.587 nan 8.360 nan 0.000 0.449 22 Q N 0.123 119.869 119.800 -0.090 0.000 2.135 22 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 22 Q C 1.903 177.863 176.000 -0.067 0.000 0.981 22 Q CA 1.110 56.873 55.803 -0.067 0.000 0.856 22 Q CB 0.077 28.780 28.738 -0.059 0.000 0.902 22 Q HN 0.180 nan 8.270 nan 0.000 0.425 23 Q N -0.061 119.670 119.800 -0.114 0.000 2.319 23 Q HA 0.085 4.425 4.340 -0.000 0.000 0.202 23 Q C -0.256 175.687 176.000 -0.095 0.000 0.896 23 Q CA 0.159 55.896 55.803 -0.110 0.000 0.942 23 Q CB 0.760 29.352 28.738 -0.243 0.000 1.083 23 Q HN 0.228 nan 8.270 nan 0.000 0.510 24 K N 0.715 121.058 120.400 -0.096 0.000 3.077 24 K HA -0.173 4.147 4.320 -0.000 0.000 0.264 24 K C -0.542 176.012 176.600 -0.077 0.000 1.008 24 K CA 0.203 56.447 56.287 -0.072 0.000 0.740 24 K CB -1.790 30.685 32.500 -0.041 0.000 1.273 24 K HN 0.247 nan 8.250 nan 0.000 0.477 25 I N 1.138 121.633 120.570 -0.126 0.000 2.517 25 I HA -0.004 4.166 4.170 -0.000 0.000 0.285 25 I C -0.873 175.218 176.117 -0.043 0.000 1.106 25 I CA -1.838 59.401 61.300 -0.101 0.000 1.402 25 I CB 0.723 38.593 38.000 -0.217 0.000 1.399 25 I HN 0.044 nan 8.210 nan 0.000 0.535 26 P HA -0.000 nan 4.420 nan 0.000 0.219 26 P C 0.400 177.753 177.300 0.088 0.000 1.150 26 P CA 0.583 63.674 63.100 -0.014 0.000 0.814 26 P CB 0.307 31.913 31.700 -0.156 0.000 0.787 27 G N -1.309 107.601 108.800 0.184 0.000 2.742 27 G HA2 0.651 4.611 3.960 -0.000 0.000 0.296 27 G HA3 0.651 4.611 3.960 -0.000 0.000 0.296 27 G C -2.000 173.150 174.900 0.417 0.000 1.436 27 G CA -0.377 44.907 45.100 0.308 0.000 0.928 27 G HN 0.042 nan 8.290 nan 0.000 0.520 28 M N 1.183 121.072 119.600 0.481 0.000 2.413 28 M HA 0.714 5.194 4.480 -0.000 0.000 0.287 28 M C -1.270 175.370 176.300 0.568 0.000 1.186 28 M CA -0.503 55.048 55.300 0.419 0.000 0.927 28 M CB 2.263 34.953 32.600 0.150 0.000 1.715 28 M HN 1.048 nan 8.290 nan 0.000 0.478 29 A N 3.387 126.398 122.820 0.319 0.000 2.365 29 A HA 0.897 5.217 4.320 -0.000 0.000 0.318 29 A C -1.676 176.125 177.584 0.362 0.000 1.091 29 A CA -0.629 51.639 52.037 0.385 0.000 0.763 29 A CB 1.739 20.917 19.000 0.297 0.000 1.248 29 A HN 0.616 nan 8.150 nan 0.000 0.442 30 V N 0.948 121.195 119.914 0.555 0.000 2.709 30 V HA 0.760 4.880 4.120 -0.000 0.000 0.308 30 V C 0.115 176.549 176.094 0.567 0.000 1.062 30 V CA -0.258 62.350 62.300 0.513 0.000 0.901 30 V CB 1.820 33.981 31.823 0.564 0.000 1.003 30 V HN 1.372 nan 8.190 nan 0.000 0.425 31 A N 4.096 127.167 122.820 0.418 0.000 2.342 31 A HA 0.884 5.204 4.320 -0.000 0.000 0.323 31 A C -0.991 176.747 177.584 0.257 0.000 1.125 31 A CA -0.557 51.663 52.037 0.305 0.000 0.785 31 A CB 1.673 20.811 19.000 0.230 0.000 1.221 31 A HN 0.661 nan 8.150 nan 0.000 0.463 32 V N 3.341 123.426 119.914 0.285 0.000 2.417 32 V HA 0.366 4.486 4.120 -0.000 0.000 0.291 32 V C -0.745 175.464 176.094 0.191 0.000 1.024 32 V CA -0.246 62.202 62.300 0.246 0.000 0.861 32 V CB 1.328 33.330 31.823 0.299 0.000 0.985 32 V HN 0.720 nan 8.190 nan 0.000 0.436 33 I N 5.853 126.497 120.570 0.124 0.000 2.312 33 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 33 I C -0.775 175.445 176.117 0.173 0.000 1.008 33 I CA -0.202 61.142 61.300 0.074 0.000 1.226 33 I CB 0.911 38.891 38.000 -0.034 0.000 1.371 33 I HN 0.596 nan 8.210 nan 0.000 0.468 34 Y N 5.290 125.650 120.300 0.100 0.000 2.346 34 Y HA 0.333 4.883 4.550 0.000 0.000 0.332 34 Y C 0.146 176.097 175.900 0.086 0.000 0.985 34 Y CA -0.918 57.246 58.100 0.107 0.000 1.112 34 Y CB 1.237 39.800 38.460 0.171 0.000 1.170 34 Y HN 0.675 nan 8.280 nan 0.000 0.447 35 Q N 4.605 124.131 119.800 -0.456 0.000 2.434 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.299 35 Q C 1.126 177.035 176.000 -0.152 0.000 1.286 35 Q CA 1.286 56.885 55.803 -0.339 0.000 0.872 35 Q CB -1.521 26.982 28.738 -0.392 0.000 1.193 35 Q HN 1.393 nan 8.270 nan 0.000 0.466 36 G N -0.820 107.906 108.800 -0.124 0.000 2.205 36 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 36 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 36 G C 0.042 174.884 174.900 -0.097 0.000 0.980 36 G CA 0.709 45.744 45.100 -0.108 0.000 0.632 36 G HN 0.313 nan 8.290 nan 0.000 0.533 37 K N 1.367 121.722 120.400 -0.075 0.000 2.164 37 K HA 0.537 4.857 4.320 -0.000 0.000 0.258 37 K C -2.719 173.671 176.600 -0.350 0.000 0.951 37 K CA -1.914 54.258 56.287 -0.192 0.000 0.844 37 K CB 2.704 35.084 32.500 -0.199 0.000 1.099 37 K HN 0.078 nan 8.250 nan 0.000 0.435 38 P HA 0.225 nan 4.420 nan 0.000 0.290 38 P C -1.508 175.133 177.300 -1.098 0.000 1.276 38 P CA -0.381 62.343 63.100 -0.626 0.000 0.808 38 P CB 0.551 31.961 31.700 -0.483 0.000 0.966 39 Y N 1.474 121.477 120.300 -0.495 0.000 2.425 39 Y HA 0.487 5.037 4.550 -0.000 0.000 0.344 39 Y C -0.042 175.437 175.900 -0.702 0.000 0.969 39 Y CA -0.431 57.371 58.100 -0.496 0.000 1.052 39 Y CB 1.891 40.258 38.460 -0.155 0.000 1.215 39 Y HN 0.302 nan 8.280 nan 0.000 0.451 40 Y N 2.144 122.216 120.300 -0.379 0.000 2.468 40 Y HA 0.715 5.265 4.550 -0.000 0.000 0.342 40 Y C -1.099 174.331 175.900 -0.783 0.000 1.021 40 Y CA -1.293 56.611 58.100 -0.327 0.000 1.079 40 Y CB 1.743 40.120 38.460 -0.137 0.000 1.226 40 Y HN 0.391 nan 8.280 nan 0.000 0.460 41 F N 0.207 120.258 119.950 0.169 0.000 2.581 41 F HA 0.657 5.184 4.527 -0.000 0.000 0.311 41 F C -0.394 175.292 175.800 -0.191 0.000 1.113 41 F CA -0.922 56.987 58.000 -0.151 0.000 0.935 41 F CB 2.522 41.439 39.000 -0.137 0.000 1.232 41 F HN 0.384 nan 8.300 nan 0.000 0.445 42 T N -1.503 112.829 114.554 -0.369 0.000 2.916 42 T HA 0.657 5.007 4.350 -0.000 0.000 0.305 42 T C -1.673 172.869 174.700 -0.264 0.000 1.119 42 T CA -0.770 61.287 62.100 -0.073 0.000 1.008 42 T CB 1.855 70.759 68.868 0.059 0.000 1.129 42 T HN 0.636 nan 8.240 nan 0.000 0.480 43 W N 0.506 121.893 121.300 0.145 0.000 3.138 43 W HA 0.505 5.165 4.660 -0.000 0.000 0.331 43 W C 0.765 177.310 176.519 0.042 0.000 1.166 43 W CA -0.227 57.164 57.345 0.076 0.000 1.212 43 W CB 1.800 31.303 29.460 0.073 0.000 1.399 43 W HN 1.414 nan 8.180 nan 0.000 0.514 44 G N 1.492 110.373 108.800 0.135 0.000 2.562 44 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.250 44 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.250 44 G C -1.580 173.279 174.900 -0.067 0.000 1.269 44 G CA -0.358 44.685 45.100 -0.096 0.000 0.919 44 G HN 0.566 nan 8.290 nan 0.000 0.574 45 Y N 0.196 120.585 120.300 0.147 0.000 2.393 45 Y HA 0.550 5.100 4.550 -0.000 0.000 0.341 45 Y C 1.338 177.339 175.900 0.167 0.000 0.988 45 Y CA -0.415 57.762 58.100 0.128 0.000 1.078 45 Y CB 2.028 40.530 38.460 0.071 0.000 1.203 45 Y HN 0.823 nan 8.280 nan 0.000 0.453 46 A N 1.195 124.215 122.820 0.333 0.000 1.970 46 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 46 A C 0.306 178.090 177.584 0.335 0.000 1.170 46 A CA 1.399 53.577 52.037 0.235 0.000 0.645 46 A CB 0.026 19.096 19.000 0.117 0.000 0.816 46 A HN 0.672 nan 8.150 nan 0.000 0.447 47 D N -1.120 119.472 120.400 0.320 0.000 2.476 47 D HA 0.400 5.040 4.640 -0.000 0.000 0.251 47 D C 0.610 176.968 176.300 0.097 0.000 1.291 47 D CA -0.445 53.758 54.000 0.339 0.000 0.939 47 D CB 0.750 41.735 40.800 0.308 0.000 1.221 47 D HN 0.135 nan 8.370 nan 0.000 0.567 48 I N 2.227 122.855 120.570 0.096 0.000 2.163 48 I HA -0.204 3.966 4.170 -0.000 0.000 0.240 48 I C 2.484 178.457 176.117 -0.240 0.000 1.081 48 I CA 1.189 62.393 61.300 -0.160 0.000 1.353 48 I CB -0.100 37.760 38.000 -0.232 0.000 1.054 48 I HN 0.447 nan 8.210 nan 0.000 0.407 49 A N 0.821 123.572 122.820 -0.116 0.000 1.908 49 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 49 A C 2.199 179.700 177.584 -0.138 0.000 1.181 49 A CA 1.740 53.704 52.037 -0.122 0.000 0.627 49 A CB -0.456 18.481 19.000 -0.105 0.000 0.818 49 A HN 0.374 nan 8.150 nan 0.000 0.445 50 K N -0.773 119.557 120.400 -0.118 0.000 2.444 50 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 50 K C -0.309 176.178 176.600 -0.188 0.000 1.024 50 K CA 0.174 56.400 56.287 -0.101 0.000 1.077 50 K CB 0.100 32.590 32.500 -0.015 0.000 0.833 50 K HN 0.418 nan 8.250 nan 0.000 0.517 51 K N 1.883 122.028 120.400 -0.426 0.000 3.071 51 K HA -0.187 4.133 4.320 -0.000 0.000 0.262 51 K C -0.814 175.609 176.600 -0.295 0.000 0.977 51 K CA 0.548 56.347 56.287 -0.814 0.000 0.721 51 K CB -1.055 31.141 32.500 -0.507 0.000 1.293 51 K HN 0.265 nan 8.250 nan 0.000 0.475 52 Q N 0.658 120.396 119.800 -0.104 0.000 2.294 52 Q HA 0.196 4.536 4.340 -0.000 0.000 0.257 52 Q C -2.067 174.098 176.000 0.275 0.000 0.955 52 Q CA -1.693 54.168 55.803 0.096 0.000 0.936 52 Q CB 0.978 29.774 28.738 0.097 0.000 1.188 52 Q HN 0.163 nan 8.270 nan 0.000 0.420 53 P HA 0.068 nan 4.420 nan 0.000 0.274 53 P C -0.100 177.332 177.300 0.219 0.000 1.237 53 P CA -0.365 62.915 63.100 0.300 0.000 0.793 53 P CB 0.838 32.652 31.700 0.190 0.000 0.977 54 V N 2.355 122.409 119.914 0.232 0.000 2.540 54 V HA 0.157 4.277 4.120 -0.000 0.000 0.297 54 V C 1.303 177.504 176.094 0.179 0.000 1.024 54 V CA 0.858 63.304 62.300 0.242 0.000 1.105 54 V CB -0.109 31.941 31.823 0.379 0.000 0.938 54 V HN 0.874 nan 8.190 nan 0.000 0.482 55 T N 1.422 116.065 114.554 0.148 0.000 2.831 55 T HA 0.359 4.709 4.350 -0.000 0.000 0.287 55 T C 0.532 175.275 174.700 0.072 0.000 1.070 55 T CA -0.738 61.409 62.100 0.079 0.000 1.010 55 T CB 1.589 70.476 68.868 0.031 0.000 1.264 55 T HN 0.420 nan 8.240 nan 0.000 0.532 56 Q N -0.371 119.412 119.800 -0.029 0.000 2.439 56 Q HA -0.069 4.271 4.340 -0.000 0.000 0.211 56 Q C 1.548 177.487 176.000 -0.101 0.000 0.978 56 Q CA 1.259 56.991 55.803 -0.118 0.000 0.897 56 Q CB -0.181 28.397 28.738 -0.267 0.000 0.956 56 Q HN 0.575 nan 8.270 nan 0.000 0.483 57 Q N -0.823 118.930 119.800 -0.079 0.000 2.319 57 Q HA 0.083 4.423 4.340 -0.000 0.000 0.209 57 Q C -0.149 175.826 176.000 -0.042 0.000 0.884 57 Q CA 0.275 55.996 55.803 -0.136 0.000 0.938 57 Q CB 0.974 29.621 28.738 -0.151 0.000 1.098 57 Q HN 0.063 nan 8.270 nan 0.000 0.517 58 T N 1.236 115.819 114.554 0.047 0.000 2.834 58 T HA 0.224 4.574 4.350 -0.000 0.000 0.298 58 T C -0.286 174.464 174.700 0.082 0.000 0.966 58 T CA -0.150 61.974 62.100 0.040 0.000 1.141 58 T CB 0.295 69.184 68.868 0.036 0.000 0.905 58 T HN 0.022 nan 8.240 nan 0.000 0.535 59 L N 4.347 125.578 121.223 0.014 0.000 2.290 59 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 59 L C -0.378 176.497 176.870 0.009 0.000 1.078 59 L CA -0.004 54.862 54.840 0.044 0.000 0.815 59 L CB 0.269 42.280 42.059 -0.080 0.000 1.162 59 L HN 0.535 nan 8.230 nan 0.000 0.435 60 F N 0.867 120.866 119.950 0.082 0.000 2.492 60 F HA 0.394 4.921 4.527 -0.000 0.000 0.327 60 F C 0.561 176.168 175.800 -0.321 0.000 1.079 60 F CA -0.905 57.113 58.000 0.030 0.000 0.967 60 F CB 1.215 40.364 39.000 0.249 0.000 1.169 60 F HN 0.405 nan 8.300 nan 0.000 0.472 61 E N 2.814 122.546 120.200 -0.780 0.000 2.324 61 E HA 0.099 4.449 4.350 -0.000 0.000 0.271 61 E C 0.502 177.040 176.600 -0.103 0.000 1.028 61 E CA 0.015 56.119 56.400 -0.493 0.000 0.890 61 E CB 0.737 30.038 29.700 -0.664 0.000 1.004 61 E HN 0.618 nan 8.360 nan 0.000 0.431 62 L N 2.935 124.167 121.223 0.016 0.000 2.418 62 L HA 0.050 4.390 4.340 -0.000 0.000 0.218 62 L C 1.474 178.449 176.870 0.176 0.000 1.125 62 L CA 0.476 55.394 54.840 0.130 0.000 0.835 62 L CB -0.838 41.303 42.059 0.135 0.000 0.953 62 L HN 0.911 nan 8.230 nan 0.000 0.454 63 G N 0.510 109.415 108.800 0.175 0.000 2.614 63 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.303 63 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.303 63 G C 0.837 175.891 174.900 0.257 0.000 1.270 63 G CA 0.428 45.669 45.100 0.235 0.000 0.988 63 G HN 0.231 nan 8.290 nan 0.000 0.551 64 S N -0.016 115.837 115.700 0.256 0.000 2.547 64 S HA 0.065 4.535 4.470 -0.000 0.000 0.235 64 S C 2.382 177.114 174.600 0.219 0.000 0.980 64 S CA 1.158 59.518 58.200 0.267 0.000 0.941 64 S CB -0.027 63.372 63.200 0.333 0.000 0.763 64 S HN 0.742 nan 8.310 nan 0.000 0.532 65 V N 1.958 121.993 119.914 0.201 0.000 2.546 65 V HA -0.209 3.911 4.120 -0.000 0.000 0.254 65 V C 2.226 178.432 176.094 0.188 0.000 1.076 65 V CA 1.732 64.129 62.300 0.162 0.000 1.087 65 V CB -0.970 30.974 31.823 0.201 0.000 0.674 65 V HN 0.479 nan 8.190 nan 0.000 0.470 66 S N -0.229 115.613 115.700 0.237 0.000 2.400 66 S HA -0.237 4.233 4.470 -0.000 0.000 0.232 66 S C 2.001 176.760 174.600 0.265 0.000 1.025 66 S CA 1.433 59.809 58.200 0.292 0.000 0.993 66 S CB -0.360 62.945 63.200 0.176 0.000 0.808 66 S HN 0.622 nan 8.310 nan 0.000 0.478 67 R N 0.936 121.536 120.500 0.167 0.000 2.159 67 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 67 R C 2.699 179.015 176.300 0.027 0.000 1.131 67 R CA 1.657 57.829 56.100 0.120 0.000 0.982 67 R CB -0.937 29.439 30.300 0.126 0.000 0.868 67 R HN 0.663 nan 8.270 nan 0.000 0.453 68 T N -1.364 113.105 114.554 -0.142 0.000 2.821 68 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 68 T C 1.685 176.380 174.700 -0.008 0.000 1.046 68 T CA 0.954 62.798 62.100 -0.427 0.000 1.139 68 T CB -0.332 67.861 68.868 -1.125 0.000 0.871 68 T HN 0.082 nan 8.240 nan 0.000 0.454 69 F N 2.180 122.177 119.950 0.078 0.000 2.146 69 F HA 0.022 4.549 4.527 0.000 0.000 0.298 69 F C 3.036 178.887 175.800 0.084 0.000 1.096 69 F CA 1.402 59.398 58.000 -0.007 0.000 1.275 69 F CB -1.226 37.656 39.000 -0.198 0.000 1.008 69 F HN 0.143 nan 8.300 nan 0.000 0.480 70 T N -0.478 114.269 114.554 0.321 0.000 2.746 70 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 70 T C 2.383 177.275 174.700 0.321 0.000 1.039 70 T CA 1.447 63.754 62.100 0.345 0.000 1.142 70 T CB -1.065 68.000 68.868 0.327 0.000 0.866 70 T HN 0.443 nan 8.240 nan 0.000 0.444 71 G N 0.996 109.947 108.800 0.251 0.000 2.446 71 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 71 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 71 G C 1.706 176.765 174.900 0.266 0.000 1.168 71 G CA 0.896 46.137 45.100 0.235 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.551 72 V N 0.599 120.680 119.914 0.278 0.000 2.358 72 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 72 V C 2.680 178.898 176.094 0.206 0.000 1.047 72 V CA 1.553 64.027 62.300 0.290 0.000 1.035 72 V CB -0.366 31.730 31.823 0.454 0.000 0.658 72 V HN 0.346 nan 8.190 nan 0.000 0.452 73 L N 1.277 122.596 121.223 0.161 0.000 2.046 73 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 73 L C 2.338 179.226 176.870 0.029 0.000 1.077 73 L CA 2.442 57.300 54.840 0.030 0.000 0.747 73 L CB -1.194 40.801 42.059 -0.107 0.000 0.896 73 L HN 0.275 nan 8.230 nan 0.000 0.432 74 G N -1.209 107.663 108.800 0.119 0.000 2.418 74 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 74 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 74 G C 1.527 176.523 174.900 0.161 0.000 1.158 74 G CA 0.560 45.730 45.100 0.117 0.000 0.771 74 G HN 0.591 nan 8.290 nan 0.000 0.545 75 G N 0.687 109.603 108.800 0.193 0.000 2.440 75 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 75 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 75 G C 1.450 176.408 174.900 0.096 0.000 1.154 75 G CA 1.411 46.603 45.100 0.153 0.000 0.767 75 G HN 0.510 nan 8.290 nan 0.000 0.552 76 D N 0.527 120.972 120.400 0.075 0.000 2.117 76 D HA 0.027 4.667 4.640 -0.000 0.000 0.197 76 D C 2.647 178.953 176.300 0.009 0.000 0.987 76 D CA 1.487 55.509 54.000 0.037 0.000 0.829 76 D CB -0.276 40.537 40.800 0.021 0.000 0.961 76 D HN 0.250 nan 8.370 nan 0.000 0.460 77 A N -0.080 122.734 122.820 -0.011 0.000 1.969 77 A HA -0.062 4.257 4.320 -0.000 0.000 0.218 77 A C 2.298 179.876 177.584 -0.011 0.000 1.169 77 A CA 0.997 53.011 52.037 -0.038 0.000 0.635 77 A CB -0.711 18.230 19.000 -0.098 0.000 0.810 77 A HN 0.386 nan 8.150 nan 0.000 0.445 78 I N -0.067 120.515 120.570 0.020 0.000 2.179 78 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 78 I C 2.932 179.072 176.117 0.038 0.000 1.088 78 I CA 1.174 62.498 61.300 0.041 0.000 1.357 78 I CB -0.400 37.645 38.000 0.074 0.000 1.051 78 I HN 0.318 nan 8.210 nan 0.000 0.409 79 A N 0.731 123.574 122.820 0.037 0.000 1.978 79 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 79 A C 2.323 179.918 177.584 0.018 0.000 1.170 79 A CA 1.425 53.480 52.037 0.029 0.000 0.636 79 A CB -0.592 18.426 19.000 0.029 0.000 0.810 79 A HN 0.357 nan 8.150 nan 0.000 0.448 80 R N -1.383 119.123 120.500 0.011 0.000 2.307 80 R HA 0.131 4.471 4.340 -0.000 0.000 0.199 80 R C 1.294 177.600 176.300 0.009 0.000 1.000 80 R CA 0.512 56.614 56.100 0.003 0.000 1.023 80 R CB -0.227 30.067 30.300 -0.009 0.000 0.908 80 R HN 0.694 nan 8.270 nan 0.000 0.473 81 G N 1.184 109.996 108.800 0.019 0.000 2.160 81 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.251 81 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.251 81 G C 0.480 175.402 174.900 0.036 0.000 1.008 81 G CA 0.620 45.737 45.100 0.029 0.000 0.724 81 G HN 0.457 nan 8.290 nan 0.000 0.514 82 E N -0.720 119.496 120.200 0.025 0.000 2.190 82 E HA 0.267 4.617 4.350 -0.000 0.000 0.191 82 E C 1.508 178.151 176.600 0.072 0.000 0.978 82 E CA 1.087 57.507 56.400 0.033 0.000 0.839 82 E CB 0.222 29.916 29.700 -0.009 0.000 0.787 82 E HN 0.899 nan 8.360 nan 0.000 0.473 83 I N -2.503 118.086 120.570 0.031 0.000 3.074 83 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 83 I C -1.294 174.870 176.117 0.078 0.000 1.153 83 I CA -1.238 60.077 61.300 0.024 0.000 0.993 83 I CB 2.286 40.117 38.000 -0.283 0.000 1.237 83 I HN -0.349 nan 8.210 nan 0.000 0.443 84 K N 3.021 123.510 120.400 0.149 0.000 2.371 84 K HA 0.497 4.817 4.320 -0.000 0.000 0.251 84 K C 0.052 176.727 176.600 0.126 0.000 0.934 84 K CA -0.798 55.565 56.287 0.127 0.000 0.798 84 K CB 2.990 35.572 32.500 0.136 0.000 1.204 84 K HN 0.626 nan 8.250 nan 0.000 0.427 85 L N 0.984 122.260 121.223 0.090 0.000 2.275 85 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 85 L C 2.032 178.933 176.870 0.052 0.000 1.119 85 L CA 1.269 56.143 54.840 0.057 0.000 0.790 85 L CB -0.263 41.779 42.059 -0.028 0.000 0.919 85 L HN 0.711 nan 8.230 nan 0.000 0.443 86 S N -2.632 113.110 115.700 0.070 0.000 2.522 86 S HA -0.000 4.470 4.470 -0.000 0.000 0.227 86 S C 0.590 175.255 174.600 0.108 0.000 0.986 86 S CA -0.180 58.060 58.200 0.065 0.000 0.929 86 S CB -0.293 62.943 63.200 0.060 0.000 0.769 86 S HN 0.215 nan 8.310 nan 0.000 0.529 87 D N 3.557 124.058 120.400 0.169 0.000 2.304 87 D HA 0.391 5.031 4.640 -0.000 0.000 0.247 87 D C -2.656 173.788 176.300 0.240 0.000 1.089 87 D CA -1.809 52.316 54.000 0.209 0.000 0.910 87 D CB 0.795 41.787 40.800 0.320 0.000 1.199 87 D HN 0.112 nan 8.370 nan 0.000 0.426 88 P HA 0.016 nan 4.420 nan 0.000 0.266 88 P C 0.788 178.245 177.300 0.262 0.000 1.195 88 P CA 0.037 63.260 63.100 0.205 0.000 0.768 88 P CB 0.519 32.298 31.700 0.132 0.000 0.838 89 T N 0.963 115.702 114.554 0.308 0.000 2.685 89 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 89 T C 1.693 176.528 174.700 0.225 0.000 1.034 89 T CA 2.485 64.768 62.100 0.305 0.000 1.149 89 T CB -1.015 68.048 68.868 0.324 0.000 0.860 89 T HN 0.643 nan 8.240 nan 0.000 0.449 90 T N 0.154 114.788 114.554 0.133 0.000 3.007 90 T HA 0.011 4.361 4.350 -0.000 0.000 0.270 90 T C 1.758 176.461 174.700 0.004 0.000 1.107 90 T CA 1.122 63.249 62.100 0.045 0.000 1.118 90 T CB -0.244 68.632 68.868 0.013 0.000 0.889 90 T HN 0.414 nan 8.240 nan 0.000 0.506 91 K N 0.214 120.567 120.400 -0.078 0.000 2.147 91 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 91 K C 1.202 177.539 176.600 -0.439 0.000 1.049 91 K CA 1.429 57.518 56.287 -0.329 0.000 0.936 91 K CB -0.222 31.944 32.500 -0.557 0.000 0.722 91 K HN 0.598 nan 8.250 nan 0.000 0.446 92 Y N -2.664 117.671 120.300 0.059 0.000 2.458 92 Y HA 0.126 4.675 4.550 -0.000 0.000 0.254 92 Y C 0.281 176.232 175.900 0.085 0.000 1.120 92 Y CA -0.626 57.494 58.100 0.034 0.000 1.282 92 Y CB 0.496 38.948 38.460 -0.013 0.000 1.109 92 Y HN 0.112 nan 8.280 nan 0.000 0.526 93 W N 2.903 124.202 121.300 -0.002 0.000 2.291 93 W HA 0.417 5.076 4.660 -0.000 0.000 0.288 93 W C -2.495 173.970 176.519 -0.090 0.000 0.976 93 W CA -3.824 53.479 57.345 -0.071 0.000 1.744 93 W CB 1.007 30.376 29.460 -0.152 0.000 1.815 93 W HN -0.081 nan 8.180 nan 0.000 0.396 94 P HA -0.221 nan 4.420 nan 0.000 0.217 94 P C 1.036 178.299 177.300 -0.061 0.000 1.148 94 P CA 2.000 65.120 63.100 0.032 0.000 0.828 94 P CB 0.505 32.231 31.700 0.042 0.000 0.783 95 E N -1.154 118.994 120.200 -0.087 0.000 2.418 95 E HA -0.053 4.297 4.350 -0.000 0.000 0.197 95 E C 0.584 176.881 176.600 -0.506 0.000 1.026 95 E CA 0.255 56.516 56.400 -0.232 0.000 0.862 95 E CB -0.695 28.939 29.700 -0.111 0.000 0.799 95 E HN 0.127 nan 8.360 nan 0.000 0.518 96 L N 1.677 122.457 121.223 -0.738 0.000 2.399 96 L HA 0.118 4.458 4.340 -0.000 0.000 0.257 96 L C 0.693 177.324 176.870 -0.400 0.000 1.236 96 L CA 0.406 54.750 54.840 -0.828 0.000 1.144 96 L CB -0.272 41.099 42.059 -1.148 0.000 1.379 96 L HN 0.036 nan 8.230 nan 0.000 0.414 97 T N -0.488 113.920 114.554 -0.244 0.000 3.022 97 T HA 0.375 4.725 4.350 -0.000 0.000 0.250 97 T C 0.915 175.621 174.700 0.010 0.000 1.060 97 T CA 0.228 62.276 62.100 -0.088 0.000 1.013 97 T CB 0.014 68.839 68.868 -0.071 0.000 0.982 97 T HN 0.523 nan 8.240 nan 0.000 0.508 98 A N 2.727 125.577 122.820 0.050 0.000 2.531 98 A HA 0.286 4.606 4.320 -0.000 0.000 0.236 98 A C 1.623 179.331 177.584 0.208 0.000 1.062 98 A CA -0.064 52.062 52.037 0.148 0.000 0.760 98 A CB 0.237 19.363 19.000 0.210 0.000 0.995 98 A HN 0.654 nan 8.150 nan 0.000 0.501 99 K N 1.673 122.138 120.400 0.109 0.000 2.209 99 K HA -0.212 4.108 4.320 -0.000 0.000 0.204 99 K C 1.424 178.062 176.600 0.063 0.000 1.048 99 K CA 1.468 57.801 56.287 0.076 0.000 0.940 99 K CB -0.060 32.456 32.500 0.026 0.000 0.729 99 K HN 0.808 nan 8.250 nan 0.000 0.451 100 Q N 0.329 120.141 119.800 0.020 0.000 2.437 100 Q HA -0.149 4.191 4.340 -0.000 0.000 0.210 100 Q C 0.772 176.676 176.000 -0.160 0.000 0.972 100 Q CA 1.061 56.778 55.803 -0.143 0.000 0.903 100 Q CB -0.351 28.188 28.738 -0.332 0.000 0.967 100 Q HN 0.597 nan 8.270 nan 0.000 0.486 101 W N 1.694 123.046 121.300 0.086 0.000 3.003 101 W HA 0.225 4.885 4.660 -0.000 0.000 0.257 101 W C 0.523 177.104 176.519 0.104 0.000 1.308 101 W CA -0.578 56.843 57.345 0.127 0.000 1.529 101 W CB 0.185 29.699 29.460 0.091 0.000 1.115 101 W HN 0.018 nan 8.180 nan 0.000 0.659 102 N N 0.934 119.771 118.700 0.229 0.000 2.434 102 N HA 0.127 4.867 4.740 -0.000 0.000 0.268 102 N C 1.043 176.639 175.510 0.144 0.000 1.256 102 N CA 1.499 54.647 53.050 0.164 0.000 0.914 102 N CB 0.536 39.086 38.487 0.105 0.000 1.088 102 N HN 0.310 nan 8.380 nan 0.000 0.478 103 G N 2.784 111.690 108.800 0.177 0.000 2.194 103 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 103 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 103 G C 0.177 175.245 174.900 0.280 0.000 0.987 103 G CA -0.432 44.783 45.100 0.191 0.000 0.635 103 G HN 0.571 nan 8.290 nan 0.000 0.520 104 I N 2.956 123.711 120.570 0.308 0.000 2.312 104 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 104 I C 1.117 177.530 176.117 0.494 0.000 1.031 104 I CA 0.148 61.710 61.300 0.437 0.000 1.293 104 I CB 1.242 39.438 38.000 0.327 0.000 1.403 104 I HN 0.301 nan 8.210 nan 0.000 0.484 105 T N 3.030 117.908 114.554 0.541 0.000 2.948 105 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 105 T C 1.232 176.063 174.700 0.219 0.000 1.019 105 T CA -0.886 61.369 62.100 0.258 0.000 1.013 105 T CB 1.485 70.380 68.868 0.044 0.000 1.117 105 T HN 0.420 nan 8.240 nan 0.000 0.533 106 L N 0.413 121.758 121.223 0.204 0.000 2.081 106 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 106 L C 2.574 179.484 176.870 0.067 0.000 1.080 106 L CA 1.116 56.091 54.840 0.225 0.000 0.754 106 L CB -0.836 41.367 42.059 0.240 0.000 0.893 106 L HN 0.627 nan 8.230 nan 0.000 0.433 107 L N -0.524 120.662 121.223 -0.062 0.000 2.013 107 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 107 L C 2.720 179.540 176.870 -0.082 0.000 1.073 107 L CA 1.948 56.674 54.840 -0.191 0.000 0.753 107 L CB -0.821 41.119 42.059 -0.198 0.000 0.890 107 L HN 0.252 nan 8.230 nan 0.000 0.432 108 H N -0.299 118.842 119.070 0.119 0.000 2.352 108 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 108 H C 2.379 177.714 175.328 0.012 0.000 1.097 108 H CA 2.049 58.156 56.048 0.099 0.000 1.311 108 H CB -0.516 29.326 29.762 0.133 0.000 1.377 108 H HN 0.383 nan 8.280 nan 0.000 0.504 109 L N 0.107 121.429 121.223 0.164 0.000 2.017 109 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 109 L C 2.873 179.671 176.870 -0.121 0.000 1.073 109 L CA 1.112 56.012 54.840 0.101 0.000 0.745 109 L CB -0.619 41.572 42.059 0.221 0.000 0.894 109 L HN 0.210 nan 8.230 nan 0.000 0.432 110 A N -0.300 122.270 122.820 -0.418 0.000 2.019 110 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 110 A C 2.100 179.269 177.584 -0.691 0.000 1.164 110 A CA 2.101 53.614 52.037 -0.873 0.000 0.644 110 A CB -0.684 17.397 19.000 -1.532 0.000 0.805 110 A HN 0.545 nan 8.150 nan 0.000 0.449 111 T N -6.805 107.463 114.554 -0.476 0.000 3.132 111 T HA 0.327 4.677 4.350 -0.000 0.000 0.274 111 T C 0.316 174.809 174.700 -0.346 0.000 1.011 111 T CA 0.303 62.154 62.100 -0.415 0.000 0.899 111 T CB -0.702 68.207 68.868 0.069 0.000 1.089 111 T HN 0.691 nan 8.240 nan 0.000 0.543 112 Y N 0.989 121.268 120.300 -0.036 0.000 4.272 112 Y HA -0.279 4.271 4.550 0.000 0.000 0.232 112 Y C 1.166 177.021 175.900 -0.075 0.000 1.149 112 Y CA 0.528 58.607 58.100 -0.034 0.000 1.961 112 Y CB -2.847 35.607 38.460 -0.010 0.000 1.611 112 Y HN 0.588 nan 8.280 nan 0.000 0.682 113 T N -4.076 110.469 114.554 -0.015 0.000 3.215 113 T HA 0.648 4.998 4.350 -0.000 0.000 0.271 113 T C 1.376 176.028 174.700 -0.081 0.000 1.012 113 T CA 0.166 62.166 62.100 -0.166 0.000 0.899 113 T CB 0.805 69.306 68.868 -0.611 0.000 1.089 113 T HN 0.461 nan 8.240 nan 0.000 0.552 114 A N 1.466 124.303 122.820 0.029 0.000 2.067 114 A HA 0.526 4.846 4.320 -0.000 0.000 0.219 114 A C 1.891 179.530 177.584 0.091 0.000 1.158 114 A CA 0.724 52.762 52.037 0.002 0.000 0.661 114 A CB -0.883 18.114 19.000 -0.005 0.000 0.801 114 A HN 1.532 nan 8.150 nan 0.000 0.452 115 G N -3.007 105.925 108.800 0.220 0.000 2.338 115 G HA2 0.411 4.371 3.960 -0.000 0.000 0.115 115 G HA3 0.411 4.371 3.960 -0.000 0.000 0.115 115 G C 0.981 176.212 174.900 0.551 0.000 1.053 115 G CA 0.313 45.648 45.100 0.392 0.000 0.733 115 G HN 2.019 nan 8.290 nan 0.000 0.482 116 G N -0.886 108.259 108.800 0.575 0.000 2.207 116 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 116 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 116 G C 0.457 175.624 174.900 0.446 0.000 1.053 116 G CA 0.031 45.430 45.100 0.499 0.000 0.764 116 G HN 1.335 nan 8.290 nan 0.000 0.495 117 L N 1.543 122.863 121.223 0.161 0.000 2.525 117 L HA 0.224 4.564 4.340 -0.000 0.000 0.278 117 L C -0.826 176.085 176.870 0.069 0.000 1.218 117 L CA -1.157 53.552 54.840 -0.219 0.000 0.878 117 L CB 0.371 42.233 42.059 -0.328 0.000 1.127 117 L HN 0.124 nan 8.230 nan 0.000 0.492 118 P HA -0.020 nan 4.420 nan 0.000 0.274 118 P C 0.506 177.884 177.300 0.131 0.000 1.237 118 P CA -0.563 62.639 63.100 0.169 0.000 0.793 118 P CB 1.039 32.874 31.700 0.226 0.000 0.977 119 L N 1.453 122.744 121.223 0.113 0.000 2.013 119 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 119 L C 0.924 177.836 176.870 0.071 0.000 1.073 119 L CA 2.053 56.945 54.840 0.087 0.000 0.753 119 L CB -0.913 41.205 42.059 0.098 0.000 0.890 119 L HN 0.422 nan 8.230 nan 0.000 0.432 120 Q N -0.621 119.216 119.800 0.061 0.000 2.309 120 Q HA 0.442 4.782 4.340 -0.000 0.000 0.264 120 Q C -0.843 175.138 176.000 -0.032 0.000 1.008 120 Q CA -1.033 54.784 55.803 0.024 0.000 0.853 120 Q CB 2.391 31.129 28.738 -0.001 0.000 1.314 120 Q HN -0.017 nan 8.270 nan 0.000 0.448 121 V N 3.591 123.448 119.914 -0.095 0.000 2.479 121 V HA 0.098 4.218 4.120 -0.000 0.000 0.281 121 V C -1.998 173.889 176.094 -0.346 0.000 1.031 121 V CA -1.237 60.833 62.300 -0.384 0.000 1.038 121 V CB -0.076 31.581 31.823 -0.277 0.000 0.981 121 V HN 0.647 nan 8.190 nan 0.000 0.478 122 P HA 0.011 nan 4.420 nan 0.000 0.265 122 P C 0.580 177.778 177.300 -0.170 0.000 1.187 122 P CA 0.176 63.127 63.100 -0.249 0.000 0.766 122 P CB 0.522 32.079 31.700 -0.239 0.000 0.820 123 D N 1.342 121.690 120.400 -0.087 0.000 2.190 123 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 123 D C 1.221 177.495 176.300 -0.044 0.000 0.992 123 D CA 1.341 55.312 54.000 -0.047 0.000 0.854 123 D CB 0.089 40.876 40.800 -0.022 0.000 0.936 123 D HN 0.457 nan 8.370 nan 0.000 0.462 124 E N -0.611 119.560 120.200 -0.049 0.000 2.347 124 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 124 E C 0.007 176.585 176.600 -0.038 0.000 1.008 124 E CA 0.084 56.465 56.400 -0.030 0.000 0.852 124 E CB 0.313 30.004 29.700 -0.016 0.000 0.783 124 E HN 0.087 nan 8.360 nan 0.000 0.505 125 V N 2.563 122.426 119.914 -0.084 0.000 2.415 125 V HA 0.003 4.123 4.120 -0.000 0.000 0.267 125 V C 0.934 177.001 176.094 -0.044 0.000 1.042 125 V CA 0.355 62.606 62.300 -0.082 0.000 1.000 125 V CB 0.712 32.414 31.823 -0.202 0.000 1.015 125 V HN 0.184 nan 8.190 nan 0.000 0.478 126 K N 2.838 123.233 120.400 -0.009 0.000 2.324 126 K HA 0.196 4.516 4.320 -0.000 0.000 0.222 126 K C 1.089 177.698 176.600 0.014 0.000 1.107 126 K CA 0.457 56.745 56.287 0.001 0.000 0.873 126 K CB -0.080 32.424 32.500 0.007 0.000 1.270 126 K HN 0.635 nan 8.250 nan 0.000 0.456 127 S N 0.921 116.638 115.700 0.028 0.000 2.624 127 S HA 0.108 4.578 4.470 -0.000 0.000 0.263 127 S C 1.242 175.880 174.600 0.063 0.000 1.287 127 S CA -0.363 57.859 58.200 0.038 0.000 0.990 127 S CB 1.438 64.663 63.200 0.042 0.000 0.950 127 S HN 0.167 nan 8.310 nan 0.000 0.561 128 S N 1.432 117.170 115.700 0.062 0.000 2.374 128 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 128 S C 2.282 176.978 174.600 0.160 0.000 1.037 128 S CA 1.713 59.970 58.200 0.095 0.000 1.024 128 S CB -0.906 62.334 63.200 0.066 0.000 0.861 128 S HN 0.956 nan 8.310 nan 0.000 0.456 129 S N 1.856 117.631 115.700 0.125 0.000 2.387 129 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 129 S C 1.355 176.039 174.600 0.140 0.000 1.026 129 S CA 1.037 59.316 58.200 0.131 0.000 0.972 129 S CB -0.527 62.727 63.200 0.089 0.000 0.814 129 S HN 0.310 nan 8.310 nan 0.000 0.477 130 D N 1.624 122.094 120.400 0.117 0.000 2.149 130 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 130 D C 1.830 178.241 176.300 0.184 0.000 0.990 130 D CA 0.893 54.963 54.000 0.117 0.000 0.839 130 D CB -0.501 40.340 40.800 0.069 0.000 0.948 130 D HN 0.345 nan 8.370 nan 0.000 0.460 131 L N 0.356 121.715 121.223 0.226 0.000 2.027 131 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 131 L C 2.151 179.349 176.870 0.546 0.000 1.074 131 L CA 1.090 56.150 54.840 0.367 0.000 0.745 131 L CB -0.620 41.653 42.059 0.356 0.000 0.898 131 L HN 0.004 nan 8.230 nan 0.000 0.433 132 L N -0.249 121.265 121.223 0.485 0.000 2.012 132 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 132 L C 2.721 179.678 176.870 0.145 0.000 1.073 132 L CA 1.927 56.941 54.840 0.290 0.000 0.748 132 L CB -0.729 41.447 42.059 0.196 0.000 0.891 132 L HN 0.317 nan 8.230 nan 0.000 0.431 133 R N -1.361 119.237 120.500 0.164 0.000 2.091 133 R HA -0.254 4.086 4.340 -0.000 0.000 0.238 133 R C 2.373 178.776 176.300 0.172 0.000 1.136 133 R CA 2.055 58.234 56.100 0.131 0.000 0.959 133 R CB -0.641 29.732 30.300 0.122 0.000 0.856 133 R HN 0.480 nan 8.270 nan 0.000 0.437 134 F N 0.531 120.516 119.950 0.058 0.000 2.046 134 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 134 F C 1.576 177.416 175.800 0.067 0.000 1.123 134 F CA 1.559 59.559 58.000 -0.000 0.000 1.199 134 F CB -0.858 38.060 39.000 -0.136 0.000 0.972 134 F HN 0.000 nan 8.300 nan 0.000 0.474 135 Y N 0.785 121.016 120.300 -0.116 0.000 2.181 135 Y HA -0.201 4.349 4.550 0.000 0.000 0.288 135 Y C 2.675 178.693 175.900 0.196 0.000 1.146 135 Y CA 1.710 59.764 58.100 -0.077 0.000 1.164 135 Y CB -1.041 37.359 38.460 -0.099 0.000 0.982 135 Y HN 0.173 nan 8.280 nan 0.000 0.515 136 Q N -0.130 119.767 119.800 0.161 0.000 2.226 136 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 136 Q C 1.385 177.497 176.000 0.186 0.000 0.975 136 Q CA 1.093 56.983 55.803 0.146 0.000 0.866 136 Q CB -0.308 28.435 28.738 0.007 0.000 0.915 136 Q HN 0.509 nan 8.270 nan 0.000 0.440 137 N N -0.723 118.062 118.700 0.143 0.000 2.424 137 N HA -0.047 4.693 4.740 -0.000 0.000 0.178 137 N C -0.083 175.477 175.510 0.084 0.000 1.060 137 N CA -0.036 53.071 53.050 0.094 0.000 0.901 137 N CB 0.014 38.552 38.487 0.085 0.000 0.979 137 N HN 0.226 nan 8.380 nan 0.000 0.451 138 W N 3.086 124.332 121.300 -0.090 0.000 2.251 138 W HA 0.128 4.788 4.660 -0.000 0.000 0.327 138 W C -0.458 175.976 176.519 -0.143 0.000 1.361 138 W CA -0.025 57.225 57.345 -0.158 0.000 1.234 138 W CB 0.552 29.861 29.460 -0.252 0.000 1.212 138 W HN -0.113 nan 8.180 nan 0.000 0.557 139 Q N 8.473 127.699 119.800 -0.957 0.000 2.333 139 Q HA 0.308 4.648 4.340 -0.000 0.000 0.265 139 Q C -2.079 173.015 176.000 -1.509 0.000 0.989 139 Q CA -2.148 53.022 55.803 -1.055 0.000 0.842 139 Q CB 1.298 29.719 28.738 -0.528 0.000 1.262 139 Q HN 0.387 nan 8.270 nan 0.000 0.451 140 P HA 0.041 nan 4.420 nan 0.000 0.268 140 P C -0.093 176.821 177.300 -0.642 0.000 1.204 140 P CA 0.129 62.587 63.100 -1.069 0.000 0.768 140 P CB 0.894 32.132 31.700 -0.769 0.000 0.842 141 A N 3.416 125.861 122.820 -0.625 0.000 2.016 141 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 141 A C 0.465 177.413 177.584 -1.060 0.000 1.162 141 A CA 0.788 52.208 52.037 -1.029 0.000 0.662 141 A CB -0.271 17.667 19.000 -1.770 0.000 0.812 141 A HN 0.604 nan 8.150 nan 0.000 0.450 142 W N -3.134 118.116 121.300 -0.083 0.000 3.042 142 W HA 0.624 5.284 4.660 -0.000 0.000 0.342 142 W C -0.020 176.441 176.519 -0.096 0.000 1.240 142 W CA -1.204 56.096 57.345 -0.074 0.000 1.166 142 W CB 0.924 30.354 29.460 -0.049 0.000 1.469 142 W HN 0.129 nan 8.180 nan 0.000 0.579 143 A N 2.168 125.082 122.820 0.156 0.000 2.406 143 A HA 0.579 4.899 4.320 -0.000 0.000 0.243 143 A C -2.264 175.327 177.584 0.012 0.000 1.082 143 A CA -0.807 51.256 52.037 0.043 0.000 0.786 143 A CB -0.726 18.298 19.000 0.040 0.000 1.029 143 A HN 0.142 nan 8.150 nan 0.000 0.495 144 P HA 0.312 nan 4.420 nan 0.000 0.269 144 P C 0.741 177.905 177.300 -0.225 0.000 1.209 144 P CA 1.539 64.449 63.100 -0.316 0.000 0.776 144 P CB 0.566 31.989 31.700 -0.463 0.000 0.876 145 G N 1.527 110.156 108.800 -0.285 0.000 2.198 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 145 G C 0.634 175.490 174.900 -0.073 0.000 1.025 145 G CA 0.750 45.849 45.100 -0.002 0.000 0.769 145 G HN 0.697 nan 8.290 nan 0.000 0.507 146 T N -5.327 109.129 114.554 -0.164 0.000 2.989 146 T HA 0.438 4.788 4.350 -0.000 0.000 0.250 146 T C 0.527 175.069 174.700 -0.263 0.000 0.981 146 T CA 0.742 62.765 62.100 -0.128 0.000 0.980 146 T CB 0.689 69.522 68.868 -0.057 0.000 1.133 146 T HN 0.258 nan 8.240 nan 0.000 0.489 147 Q N 0.993 120.581 119.800 -0.353 0.000 2.347 147 Q HA 0.489 4.829 4.340 -0.000 0.000 0.271 147 Q C -1.363 174.421 176.000 -0.360 0.000 1.064 147 Q CA -0.491 55.018 55.803 -0.490 0.000 0.800 147 Q CB 3.129 31.254 28.738 -1.022 0.000 1.304 147 Q HN 0.406 nan 8.270 nan 0.000 0.438 148 R N 2.193 122.519 120.500 -0.289 0.000 2.229 148 R HA 0.533 4.872 4.340 -0.000 0.000 0.328 148 R C -1.165 175.102 176.300 -0.054 0.000 1.009 148 R CA -0.549 55.474 56.100 -0.129 0.000 0.864 148 R CB 0.459 30.724 30.300 -0.057 0.000 1.085 148 R HN 0.449 nan 8.270 nan 0.000 0.453 149 L N 6.007 127.268 121.223 0.062 0.000 2.415 149 L HA 0.264 4.604 4.340 -0.000 0.000 0.268 149 L C -1.371 175.521 176.870 0.037 0.000 0.984 149 L CA -0.713 54.187 54.840 0.100 0.000 0.853 149 L CB 0.977 43.183 42.059 0.245 0.000 1.215 149 L HN 0.616 nan 8.230 nan 0.000 0.419 150 Y N 4.813 124.951 120.300 -0.269 0.000 2.881 150 Y HA 0.336 4.886 4.550 -0.000 0.000 0.335 150 Y C 0.076 175.766 175.900 -0.350 0.000 1.263 150 Y CA 0.998 58.700 58.100 -0.664 0.000 1.572 150 Y CB 0.368 38.547 38.460 -0.468 0.000 1.237 150 Y HN 0.801 nan 8.280 nan 0.000 0.568 151 A N 5.549 127.976 122.820 -0.655 0.000 2.480 151 A HA 0.288 4.608 4.320 -0.000 0.000 0.289 151 A C 0.061 177.586 177.584 -0.098 0.000 1.044 151 A CA -0.913 51.015 52.037 -0.181 0.000 0.761 151 A CB 0.695 19.715 19.000 0.034 0.000 1.289 151 A HN 0.784 nan 8.150 nan 0.000 0.401 152 N N 1.384 120.065 118.700 -0.033 0.000 2.149 152 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 152 N C 1.990 177.585 175.510 0.142 0.000 1.019 152 N CA 2.078 55.179 53.050 0.085 0.000 0.857 152 N CB -0.251 38.339 38.487 0.172 0.000 0.997 152 N HN 0.862 nan 8.380 nan 0.000 0.426 153 S N -1.139 114.666 115.700 0.174 0.000 2.474 153 S HA 0.043 4.513 4.470 -0.000 0.000 0.235 153 S C 1.982 176.780 174.600 0.330 0.000 0.997 153 S CA 0.961 59.345 58.200 0.306 0.000 0.949 153 S CB -0.094 63.318 63.200 0.353 0.000 0.766 153 S HN 0.242 nan 8.310 nan 0.000 0.517 154 S N 1.083 116.915 115.700 0.220 0.000 2.357 154 S HA 0.173 4.643 4.470 -0.000 0.000 0.209 154 S C 1.631 176.330 174.600 0.165 0.000 1.023 154 S CA 0.482 58.798 58.200 0.195 0.000 0.933 154 S CB -0.540 62.794 63.200 0.222 0.000 0.897 154 S HN 0.435 nan 8.310 nan 0.000 0.529 155 I N 2.142 122.807 120.570 0.159 0.000 2.286 155 I HA 0.019 4.189 4.170 -0.000 0.000 0.248 155 I C 2.099 178.287 176.117 0.119 0.000 1.115 155 I CA 1.667 63.033 61.300 0.111 0.000 1.392 155 I CB -0.929 37.135 38.000 0.107 0.000 1.065 155 I HN 0.400 nan 8.210 nan 0.000 0.418 156 G N 0.327 109.174 108.800 0.078 0.000 2.418 156 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 156 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 156 G C 1.606 176.471 174.900 -0.058 0.000 1.158 156 G CA 1.016 46.100 45.100 -0.026 0.000 0.771 156 G HN 0.427 nan 8.290 nan 0.000 0.545 157 L N -0.332 120.913 121.223 0.037 0.000 2.093 157 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 157 L C 2.426 179.262 176.870 -0.057 0.000 1.085 157 L CA 1.369 56.170 54.840 -0.066 0.000 0.755 157 L CB -0.700 41.272 42.059 -0.144 0.000 0.904 157 L HN 0.228 nan 8.230 nan 0.000 0.435 158 F N 0.421 120.315 119.950 -0.093 0.000 2.065 158 F HA -0.177 4.349 4.527 -0.000 0.000 0.298 158 F C 2.189 177.924 175.800 -0.109 0.000 1.112 158 F CA 2.002 59.945 58.000 -0.096 0.000 1.212 158 F CB -1.031 37.922 39.000 -0.079 0.000 0.975 158 F HN 0.127 nan 8.300 nan 0.000 0.476 159 G N -0.516 108.177 108.800 -0.179 0.000 2.418 159 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 159 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 159 G C 1.815 176.559 174.900 -0.260 0.000 1.158 159 G CA 0.934 45.893 45.100 -0.235 0.000 0.771 159 G HN 0.671 nan 8.290 nan 0.000 0.545 160 A N 0.457 123.072 122.820 -0.342 0.000 1.902 160 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 160 A C 2.414 179.825 177.584 -0.289 0.000 1.181 160 A CA 1.288 53.143 52.037 -0.303 0.000 0.623 160 A CB -0.337 18.453 19.000 -0.350 0.000 0.818 160 A HN 0.361 nan 8.150 nan 0.000 0.443 161 L N -1.152 119.872 121.223 -0.331 0.000 2.179 161 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 161 L C 2.984 179.608 176.870 -0.410 0.000 1.096 161 L CA 0.700 55.353 54.840 -0.311 0.000 0.779 161 L CB -0.541 41.383 42.059 -0.225 0.000 0.922 161 L HN 0.408 nan 8.230 nan 0.000 0.443 162 A N 0.482 122.968 122.820 -0.556 0.000 1.978 162 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 162 A C 2.124 179.499 177.584 -0.348 0.000 1.170 162 A CA 1.962 53.634 52.037 -0.609 0.000 0.636 162 A CB -0.695 17.797 19.000 -0.847 0.000 0.810 162 A HN 0.348 nan 8.150 nan 0.000 0.448 163 V N -4.120 115.653 119.914 -0.236 0.000 3.649 163 V HA 0.093 4.213 4.120 -0.000 0.000 0.275 163 V C 1.656 177.676 176.094 -0.123 0.000 1.281 163 V CA 0.747 62.955 62.300 -0.155 0.000 1.143 163 V CB -0.354 31.409 31.823 -0.102 0.000 0.892 163 V HN 0.224 nan 8.190 nan 0.000 0.441 164 K N 1.677 121.999 120.400 -0.130 0.000 2.009 164 K HA -0.050 4.270 4.320 -0.000 0.000 0.210 164 K C 0.239 176.826 176.600 -0.022 0.000 1.049 164 K CA 2.060 58.305 56.287 -0.070 0.000 0.929 164 K CB -1.908 30.571 32.500 -0.034 0.000 0.714 164 K HN 0.468 nan 8.250 nan 0.000 0.440 165 P HA -0.115 nan 4.420 nan 0.000 0.219 165 P C 1.433 178.726 177.300 -0.011 0.000 1.146 165 P CA 1.486 64.604 63.100 0.030 0.000 0.808 165 P CB -0.084 31.658 31.700 0.070 0.000 0.779 166 S N -1.387 114.288 115.700 -0.042 0.000 2.447 166 S HA 0.024 4.494 4.470 -0.000 0.000 0.233 166 S C 1.942 176.513 174.600 -0.048 0.000 1.006 166 S CA 1.047 59.216 58.200 -0.051 0.000 0.957 166 S CB -1.592 61.561 63.200 -0.078 0.000 0.773 166 S HN 0.298 nan 8.310 nan 0.000 0.507 167 G N 0.761 109.533 108.800 -0.047 0.000 2.189 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G C 0.011 174.878 174.900 -0.055 0.000 0.975 167 G CA 0.608 45.681 45.100 -0.045 0.000 0.644 167 G HN 0.598 nan 8.290 nan 0.000 0.537 168 L N 1.711 122.892 121.223 -0.070 0.000 2.395 168 L HA 0.523 4.863 4.340 -0.000 0.000 0.269 168 L C 1.549 178.371 176.870 -0.080 0.000 1.133 168 L CA -0.172 54.620 54.840 -0.081 0.000 0.812 168 L CB 1.189 43.183 42.059 -0.108 0.000 1.125 168 L HN 0.407 nan 8.230 nan 0.000 0.452 169 S N 1.033 116.692 115.700 -0.069 0.000 2.576 169 S HA -0.038 4.432 4.470 -0.000 0.000 0.272 169 S C 0.893 175.461 174.600 -0.052 0.000 1.352 169 S CA -0.304 57.868 58.200 -0.046 0.000 1.021 169 S CB 0.336 63.515 63.200 -0.036 0.000 0.887 169 S HN 0.555 nan 8.310 nan 0.000 0.542 170 F N 1.277 121.137 119.950 -0.151 0.000 2.126 170 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 170 F C 2.491 178.177 175.800 -0.189 0.000 1.096 170 F CA 2.274 60.168 58.000 -0.176 0.000 1.255 170 F CB -0.415 38.480 39.000 -0.174 0.000 0.997 170 F HN 0.943 nan 8.300 nan 0.000 0.479 171 E N -0.560 119.584 120.200 -0.093 0.000 2.077 171 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 171 E C 2.173 178.613 176.600 -0.266 0.000 0.989 171 E CA 1.283 57.577 56.400 -0.177 0.000 0.800 171 E CB -0.094 29.593 29.700 -0.022 0.000 0.746 171 E HN 0.408 nan 8.360 nan 0.000 0.452 172 Q N -0.042 119.644 119.800 -0.189 0.000 2.079 172 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 172 Q C 2.079 177.925 176.000 -0.257 0.000 0.974 172 Q CA 1.323 57.017 55.803 -0.181 0.000 0.840 172 Q CB -0.401 28.269 28.738 -0.114 0.000 0.898 172 Q HN 0.365 nan 8.270 nan 0.000 0.430 173 A N 0.684 123.320 122.820 -0.305 0.000 1.877 173 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 173 A C 2.159 179.458 177.584 -0.475 0.000 1.186 173 A CA 1.938 53.769 52.037 -0.343 0.000 0.620 173 A CB -0.510 18.288 19.000 -0.337 0.000 0.822 173 A HN 0.343 nan 8.150 nan 0.000 0.443 174 M N -0.177 118.993 119.600 -0.716 0.000 2.080 174 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 174 M C 2.157 177.871 176.300 -0.977 0.000 1.068 174 M CA 2.037 56.768 55.300 -0.947 0.000 1.109 174 M CB -0.640 31.210 32.600 -1.250 0.000 1.342 174 M HN 0.535 nan 8.290 nan 0.000 0.405 175 Q N -1.139 118.218 119.800 -0.739 0.000 2.050 175 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 175 Q C 1.951 177.779 176.000 -0.287 0.000 0.980 175 Q CA 2.408 57.931 55.803 -0.467 0.000 0.840 175 Q CB -0.420 28.160 28.738 -0.265 0.000 0.898 175 Q HN 0.785 nan 8.270 nan 0.000 0.424 176 T N -2.108 112.297 114.554 -0.250 0.000 3.014 176 T HA 0.025 4.375 4.350 -0.000 0.000 0.263 176 T C 1.682 176.296 174.700 -0.142 0.000 1.078 176 T CA 0.510 62.514 62.100 -0.161 0.000 1.135 176 T CB 0.058 68.846 68.868 -0.133 0.000 0.895 176 T HN 0.127 nan 8.240 nan 0.000 0.480 177 R N -0.135 120.252 120.500 -0.188 0.000 2.254 177 R HA 0.383 4.723 4.340 -0.000 0.000 0.193 177 R C 1.638 177.885 176.300 -0.089 0.000 0.929 177 R CA 0.266 56.288 56.100 -0.131 0.000 1.038 177 R CB 0.435 30.648 30.300 -0.146 0.000 1.009 177 R HN 0.289 nan 8.270 nan 0.000 0.512 178 V N -1.026 118.804 119.914 -0.141 0.000 3.054 178 V HA 0.038 4.158 4.120 -0.000 0.000 0.227 178 V C 1.368 177.536 176.094 0.122 0.000 1.252 178 V CA 0.490 62.789 62.300 -0.002 0.000 1.279 178 V CB -0.289 31.514 31.823 -0.033 0.000 1.118 178 V HN -0.013 nan 8.190 nan 0.000 0.504 179 F N 1.476 121.344 119.950 -0.137 0.000 2.102 179 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 179 F C 2.593 178.301 175.800 -0.152 0.000 1.105 179 F CA 1.409 59.290 58.000 -0.197 0.000 1.239 179 F CB -1.136 37.636 39.000 -0.380 0.000 0.991 179 F HN 0.199 nan 8.300 nan 0.000 0.474 180 Q N -0.258 119.563 119.800 0.034 0.000 2.046 180 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 180 Q C -0.339 175.661 176.000 0.000 0.000 0.975 180 Q CA 1.640 57.429 55.803 -0.023 0.000 0.836 180 Q CB -1.460 27.243 28.738 -0.059 0.000 0.896 180 Q HN 0.257 nan 8.270 nan 0.000 0.428 181 P HA -0.154 nan 4.420 nan 0.000 0.218 181 P C 0.636 177.965 177.300 0.047 0.000 1.148 181 P CA 1.213 64.327 63.100 0.023 0.000 0.822 181 P CB 0.055 31.770 31.700 0.026 0.000 0.784 182 L N -1.419 119.857 121.223 0.089 0.000 2.592 182 L HA 0.150 4.490 4.340 -0.000 0.000 0.227 182 L C 0.393 177.311 176.870 0.079 0.000 1.127 182 L CA 0.092 55.002 54.840 0.116 0.000 0.884 182 L CB -0.632 41.568 42.059 0.234 0.000 1.065 182 L HN -0.043 nan 8.230 nan 0.000 0.457 183 K N 0.835 121.256 120.400 0.034 0.000 3.096 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 183 K C -0.256 176.329 176.600 -0.026 0.000 1.043 183 K CA 0.368 56.650 56.287 -0.007 0.000 0.758 183 K CB -1.883 30.618 32.500 0.002 0.000 1.260 183 K HN 0.337 nan 8.250 nan 0.000 0.481 184 L N 1.433 122.625 121.223 -0.051 0.000 2.399 184 L HA 0.107 4.447 4.340 -0.000 0.000 0.257 184 L C 1.013 177.697 176.870 -0.310 0.000 1.236 184 L CA -0.451 54.297 54.840 -0.152 0.000 1.144 184 L CB -0.021 41.907 42.059 -0.218 0.000 1.379 184 L HN 0.161 nan 8.230 nan 0.000 0.414 185 N N 0.189 118.730 118.700 -0.264 0.000 2.467 185 N HA -0.038 4.702 4.740 -0.000 0.000 0.184 185 N C 0.646 175.741 175.510 -0.692 0.000 1.106 185 N CA 0.711 53.500 53.050 -0.435 0.000 0.892 185 N CB 0.186 38.448 38.487 -0.375 0.000 0.969 185 N HN 0.492 nan 8.380 nan 0.000 0.454 186 H N -0.886 118.049 119.070 -0.225 0.000 2.676 186 H HA 0.289 4.845 4.556 -0.000 0.000 0.238 186 H C -0.397 174.771 175.328 -0.267 0.000 1.276 186 H CA -0.083 55.899 56.048 -0.110 0.000 0.983 186 H CB 0.359 30.106 29.762 -0.025 0.000 2.000 186 H HN -0.140 nan 8.280 nan 0.000 0.584 187 T N 0.778 114.938 114.554 -0.657 0.000 2.841 187 T HA 0.339 4.689 4.350 -0.000 0.000 0.285 187 T C -0.793 173.153 174.700 -1.257 0.000 0.991 187 T CA -0.449 61.100 62.100 -0.917 0.000 0.966 187 T CB 1.452 69.547 68.868 -1.289 0.000 0.962 187 T HN 0.240 nan 8.240 nan 0.000 0.438 188 W N 2.039 123.016 121.300 -0.539 0.000 3.138 188 W HA 0.528 5.188 4.660 0.000 0.000 0.331 188 W C 0.649 177.044 176.519 -0.207 0.000 1.166 188 W CA -0.821 56.355 57.345 -0.280 0.000 1.212 188 W CB 1.193 30.489 29.460 -0.272 0.000 1.399 188 W HN 0.517 nan 8.180 nan 0.000 0.514 189 I N 1.659 122.353 120.570 0.207 0.000 2.400 189 I HA -0.079 4.090 4.170 -0.000 0.000 0.248 189 I C 0.379 176.524 176.117 0.047 0.000 1.109 189 I CA 0.958 62.316 61.300 0.097 0.000 1.425 189 I CB -0.044 38.022 38.000 0.110 0.000 1.094 189 I HN 0.282 nan 8.210 nan 0.000 0.425 190 N N 1.174 119.935 118.700 0.102 0.000 2.479 190 N HA 0.243 4.983 4.740 -0.000 0.000 0.261 190 N C -0.878 174.528 175.510 -0.174 0.000 0.979 190 N CA -0.242 52.788 53.050 -0.033 0.000 0.930 190 N CB 2.598 41.070 38.487 -0.026 0.000 1.172 190 N HN -0.206 nan 8.380 nan 0.000 0.499 191 V N 4.775 124.498 119.914 -0.319 0.000 2.479 191 V HA 0.120 4.240 4.120 -0.000 0.000 0.281 191 V C -1.463 174.293 176.094 -0.563 0.000 1.031 191 V CA -0.809 61.162 62.300 -0.548 0.000 1.038 191 V CB 0.202 31.640 31.823 -0.641 0.000 0.981 191 V HN 0.513 nan 8.190 nan 0.000 0.478 192 P HA 0.286 nan 4.420 nan 0.000 0.276 192 P C -2.315 174.757 177.300 -0.380 0.000 1.252 192 P CA -1.901 60.825 63.100 -0.622 0.000 0.802 192 P CB 0.563 31.746 31.700 -0.861 0.000 1.035 193 P HA -0.201 nan 4.420 nan 0.000 0.216 193 P C 1.470 178.691 177.300 -0.131 0.000 1.150 193 P CA 2.266 65.277 63.100 -0.148 0.000 0.843 193 P CB -0.476 31.161 31.700 -0.106 0.000 0.787 194 A N -0.298 122.431 122.820 -0.150 0.000 2.019 194 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 194 A C 1.978 179.510 177.584 -0.087 0.000 1.164 194 A CA 1.446 53.424 52.037 -0.098 0.000 0.644 194 A CB -0.756 18.195 19.000 -0.082 0.000 0.805 194 A HN 0.130 nan 8.150 nan 0.000 0.449 195 E N -0.532 119.573 120.200 -0.158 0.000 2.474 195 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 195 E C 1.346 177.895 176.600 -0.085 0.000 1.039 195 E CA 0.118 56.447 56.400 -0.119 0.000 0.881 195 E CB 0.004 29.581 29.700 -0.204 0.000 0.970 195 E HN 0.747 nan 8.360 nan 0.000 0.486 196 E N 1.419 121.572 120.200 -0.078 0.000 2.118 196 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 196 E C 2.009 178.621 176.600 0.020 0.000 0.992 196 E CA 1.450 57.843 56.400 -0.010 0.000 0.804 196 E CB -0.072 29.621 29.700 -0.012 0.000 0.741 196 E HN 0.243 nan 8.360 nan 0.000 0.458 197 K N 0.364 120.771 120.400 0.012 0.000 2.209 197 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 197 K C 1.124 177.743 176.600 0.031 0.000 1.048 197 K CA 1.761 58.065 56.287 0.027 0.000 0.940 197 K CB -0.201 32.312 32.500 0.022 0.000 0.729 197 K HN 0.072 nan 8.250 nan 0.000 0.451 198 N N -0.401 118.314 118.700 0.024 0.000 2.353 198 N HA -0.031 4.709 4.740 -0.000 0.000 0.185 198 N C -0.622 174.918 175.510 0.050 0.000 1.098 198 N CA -0.254 52.810 53.050 0.023 0.000 0.872 198 N CB 0.159 38.648 38.487 0.003 0.000 0.970 198 N HN 0.222 nan 8.380 nan 0.000 0.467 199 Y N 2.247 122.465 120.300 -0.137 0.000 2.539 199 Y HA 0.329 4.879 4.550 -0.000 0.000 0.352 199 Y C 0.288 176.078 175.900 -0.184 0.000 1.004 199 Y CA -1.474 56.502 58.100 -0.207 0.000 1.278 199 Y CB 0.176 38.445 38.460 -0.319 0.000 1.136 199 Y HN -0.015 nan 8.280 nan 0.000 0.528 200 A N 6.134 128.995 122.820 0.068 0.000 2.520 200 A HA -0.068 4.252 4.320 -0.000 0.000 0.235 200 A C -0.864 176.711 177.584 -0.014 0.000 1.065 200 A CA -0.095 51.952 52.037 0.017 0.000 0.764 200 A CB 0.208 19.169 19.000 -0.066 0.000 1.002 200 A HN 0.935 nan 8.150 nan 0.000 0.502 201 W N 0.759 122.065 121.300 0.010 0.000 2.202 201 W HA 0.466 5.126 4.660 0.000 0.000 0.332 201 W C 0.939 177.165 176.519 -0.488 0.000 1.263 201 W CA 0.643 57.798 57.345 -0.317 0.000 1.223 201 W CB 0.961 30.082 29.460 -0.566 0.000 1.128 201 W HN 0.928 nan 8.180 nan 0.000 0.573 202 G N 1.297 109.903 108.800 -0.323 0.000 2.451 202 G HA2 0.518 4.478 3.960 -0.000 0.000 0.303 202 G HA3 0.518 4.478 3.960 -0.000 0.000 0.303 202 G C -2.154 172.332 174.900 -0.689 0.000 1.166 202 G CA -0.549 44.079 45.100 -0.787 0.000 0.884 202 G HN 0.427 nan 8.290 nan 0.000 0.514 203 Y N -0.025 120.181 120.300 -0.157 0.000 2.326 203 Y HA 0.517 5.067 4.550 -0.000 0.000 0.329 203 Y C 0.464 176.352 175.900 -0.020 0.000 0.973 203 Y CA -0.782 57.284 58.100 -0.057 0.000 1.162 203 Y CB 2.114 40.549 38.460 -0.042 0.000 1.147 203 Y HN 0.468 nan 8.280 nan 0.000 0.456 204 R N 2.602 123.156 120.500 0.090 0.000 2.476 204 R HA 0.320 4.660 4.340 -0.000 0.000 0.305 204 R C -0.651 175.690 176.300 0.067 0.000 0.965 204 R CA -0.507 55.639 56.100 0.076 0.000 0.867 204 R CB 0.743 31.076 30.300 0.056 0.000 1.176 204 R HN 0.873 nan 8.270 nan 0.000 0.447 205 E N 2.742 122.981 120.200 0.065 0.000 2.199 205 E HA -0.272 4.078 4.350 -0.000 0.000 0.208 205 E C 0.647 177.276 176.600 0.048 0.000 1.310 205 E CA 0.885 57.313 56.400 0.046 0.000 0.709 205 E CB -1.083 28.636 29.700 0.031 0.000 1.127 205 E HN 1.164 nan 8.360 nan 0.000 0.354 206 G N -0.537 108.308 108.800 0.076 0.000 2.220 206 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.269 206 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.269 206 G C 0.254 175.232 174.900 0.130 0.000 0.977 206 G CA 0.978 46.127 45.100 0.081 0.000 0.634 206 G HN 0.245 nan 8.290 nan 0.000 0.539 207 K N 0.833 121.290 120.400 0.095 0.000 2.156 207 K HA 0.747 5.067 4.320 -0.000 0.000 0.271 207 K C 0.460 177.009 176.600 -0.085 0.000 0.995 207 K CA 0.356 56.649 56.287 0.009 0.000 0.890 207 K CB 1.638 34.115 32.500 -0.038 0.000 1.073 207 K HN 0.604 nan 8.250 nan 0.000 0.454 208 A N 2.383 125.031 122.820 -0.286 0.000 2.451 208 A HA 0.456 4.776 4.320 -0.000 0.000 0.266 208 A C -0.280 177.054 177.584 -0.416 0.000 1.119 208 A CA -0.354 51.275 52.037 -0.680 0.000 0.786 208 A CB -0.357 18.015 19.000 -1.046 0.000 1.061 208 A HN 0.553 nan 8.150 nan 0.000 0.503 209 V N 1.053 120.876 119.914 -0.152 0.000 3.007 209 V HA 0.709 4.829 4.120 -0.000 0.000 0.311 209 V C -0.719 175.487 176.094 0.186 0.000 1.120 209 V CA -0.847 61.492 62.300 0.066 0.000 0.980 209 V CB 1.308 33.162 31.823 0.053 0.000 1.033 209 V HN 0.946 nan 8.190 nan 0.000 0.429 210 H N 0.609 119.839 119.070 0.267 0.000 2.679 210 H HA 0.672 5.228 4.556 -0.000 0.000 0.367 210 H C -0.422 175.011 175.328 0.175 0.000 1.162 210 H CA -0.980 55.154 56.048 0.143 0.000 1.181 210 H CB 2.258 31.965 29.762 -0.091 0.000 1.693 210 H HN 0.808 nan 8.280 nan 0.000 0.538 211 V N 2.417 122.532 119.914 0.335 0.000 2.720 211 V HA -0.051 4.069 4.120 -0.000 0.000 0.307 211 V C -0.102 176.120 176.094 0.214 0.000 1.071 211 V CA 0.505 62.956 62.300 0.252 0.000 1.199 211 V CB 0.614 32.591 31.823 0.256 0.000 0.900 211 V HN 0.756 nan 8.190 nan 0.000 0.494 212 S N 7.459 123.267 115.700 0.180 0.000 2.601 212 S HA 0.463 4.933 4.470 -0.000 0.000 0.271 212 S C -2.246 172.445 174.600 0.153 0.000 1.305 212 S CA -0.667 57.620 58.200 0.146 0.000 1.022 212 S CB 1.098 64.364 63.200 0.111 0.000 0.940 212 S HN 0.840 nan 8.310 nan 0.000 0.525 213 P HA 0.437 nan 4.420 nan 0.000 0.269 213 P C -0.226 177.129 177.300 0.090 0.000 1.209 213 P CA -0.108 63.041 63.100 0.082 0.000 0.776 213 P CB 0.426 32.156 31.700 0.049 0.000 0.876 214 G N 0.036 108.882 108.800 0.077 0.000 2.673 214 G HA2 0.552 4.511 3.960 -0.000 0.000 0.292 214 G HA3 0.552 4.511 3.960 -0.000 0.000 0.292 214 G C -1.407 173.500 174.900 0.012 0.000 1.450 214 G CA -0.527 44.623 45.100 0.084 0.000 0.837 214 G HN 0.530 nan 8.290 nan 0.000 0.505 215 A N 0.548 123.365 122.820 -0.005 0.000 2.520 215 A HA 0.541 4.861 4.320 -0.000 0.000 0.245 215 A C 1.394 178.942 177.584 -0.060 0.000 1.072 215 A CA 0.496 52.511 52.037 -0.037 0.000 0.761 215 A CB -0.403 18.571 19.000 -0.043 0.000 1.004 215 A HN 1.754 nan 8.150 nan 0.000 0.499 216 L N 0.542 121.697 121.223 -0.113 0.000 4.040 216 L HA -0.319 4.021 4.340 -0.000 0.000 0.410 216 L C 1.233 177.907 176.870 -0.326 0.000 1.187 216 L CA 0.656 55.383 54.840 -0.189 0.000 0.956 216 L CB -1.763 40.247 42.059 -0.081 0.000 2.022 216 L HN 1.015 nan 8.230 nan 0.000 0.897 217 D N 0.277 120.445 120.400 -0.388 0.000 2.097 217 D HA -0.152 4.487 4.640 -0.000 0.000 0.195 217 D C 1.961 177.858 176.300 -0.672 0.000 0.989 217 D CA 1.491 55.005 54.000 -0.811 0.000 0.827 217 D CB -0.136 40.355 40.800 -0.515 0.000 0.966 217 D HN 0.435 nan 8.370 nan 0.000 0.456 218 A N 0.713 123.307 122.820 -0.377 0.000 1.908 218 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 218 A C 2.102 179.519 177.584 -0.278 0.000 1.181 218 A CA 1.972 53.879 52.037 -0.217 0.000 0.627 218 A CB -0.675 18.290 19.000 -0.058 0.000 0.818 218 A HN 0.235 nan 8.150 nan 0.000 0.445 219 E N -0.477 119.366 120.200 -0.596 0.000 2.216 219 E HA 0.153 4.503 4.350 -0.000 0.000 0.192 219 E C 1.969 178.421 176.600 -0.248 0.000 0.988 219 E CA 1.154 57.123 56.400 -0.720 0.000 0.834 219 E CB -0.205 28.969 29.700 -0.876 0.000 0.772 219 E HN 0.599 nan 8.360 nan 0.000 0.479 220 A N -0.275 122.405 122.820 -0.233 0.000 1.993 220 A HA 0.090 4.410 4.320 -0.000 0.000 0.207 220 A C 0.907 178.554 177.584 0.105 0.000 1.224 220 A CA 0.636 52.656 52.037 -0.028 0.000 0.749 220 A CB 0.010 19.054 19.000 0.075 0.000 0.884 220 A HN 0.399 nan 8.150 nan 0.000 0.467 221 Y N -3.924 116.399 120.300 0.038 0.000 2.926 221 Y HA 0.497 5.047 4.550 -0.000 0.000 0.258 221 Y C 0.879 176.807 175.900 0.046 0.000 1.110 221 Y CA -0.419 57.719 58.100 0.063 0.000 1.224 221 Y CB -0.375 38.129 38.460 0.072 0.000 1.276 221 Y HN 0.005 nan 8.280 nan 0.000 0.595 222 G N 0.663 109.413 108.800 -0.085 0.000 3.126 222 G HA2 0.344 4.304 3.960 -0.000 0.000 0.224 222 G HA3 0.344 4.304 3.960 -0.000 0.000 0.224 222 G C -0.222 174.655 174.900 -0.037 0.000 1.142 222 G CA 0.104 45.155 45.100 -0.081 0.000 0.759 222 G HN 0.115 nan 8.290 nan 0.000 0.550 223 V N 0.629 120.526 119.914 -0.029 0.000 2.607 223 V HA 0.421 4.541 4.120 -0.000 0.000 0.289 223 V C -0.292 175.711 176.094 -0.151 0.000 1.053 223 V CA -0.433 61.795 62.300 -0.119 0.000 0.996 223 V CB 1.457 33.134 31.823 -0.243 0.000 0.995 223 V HN 0.150 nan 8.190 nan 0.000 0.476 224 K N 2.372 122.637 120.400 -0.225 0.000 2.270 224 K HA 0.786 5.106 4.320 -0.000 0.000 0.255 224 K C -0.575 175.884 176.600 -0.234 0.000 0.936 224 K CA -0.202 55.940 56.287 -0.241 0.000 0.809 224 K CB 2.031 34.282 32.500 -0.415 0.000 1.131 224 K HN 0.688 nan 8.250 nan 0.000 0.427 225 S N 0.203 115.836 115.700 -0.112 0.000 2.596 225 S HA 0.580 5.050 4.470 -0.000 0.000 0.270 225 S C -1.155 173.509 174.600 0.107 0.000 1.155 225 S CA -0.745 57.405 58.200 -0.083 0.000 0.827 225 S CB 1.058 64.165 63.200 -0.155 0.000 1.130 225 S HN 0.682 nan 8.310 nan 0.000 0.467 226 T N 0.460 115.074 114.554 0.100 0.000 2.902 226 T HA 0.493 4.843 4.350 -0.000 0.000 0.280 226 T C 1.330 176.140 174.700 0.182 0.000 0.992 226 T CA -0.524 61.680 62.100 0.174 0.000 1.015 226 T CB 0.750 69.662 68.868 0.073 0.000 1.044 226 T HN 0.439 nan 8.240 nan 0.000 0.520 227 I N 0.847 121.540 120.570 0.204 0.000 2.286 227 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 227 I C 2.414 178.657 176.117 0.211 0.000 1.115 227 I CA 1.549 62.975 61.300 0.210 0.000 1.392 227 I CB -0.550 37.596 38.000 0.244 0.000 1.065 227 I HN 0.830 nan 8.210 nan 0.000 0.418 228 E N -0.086 120.131 120.200 0.028 0.000 2.072 228 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 228 E C 1.718 178.403 176.600 0.142 0.000 0.985 228 E CA 1.416 57.825 56.400 0.015 0.000 0.801 228 E CB -0.167 29.428 29.700 -0.174 0.000 0.750 228 E HN 0.499 nan 8.360 nan 0.000 0.452 229 D N 0.215 120.682 120.400 0.111 0.000 2.117 229 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 229 D C 1.856 178.280 176.300 0.207 0.000 0.982 229 D CA 0.931 54.999 54.000 0.114 0.000 0.828 229 D CB -0.027 40.779 40.800 0.010 0.000 0.967 229 D HN 0.076 nan 8.370 nan 0.000 0.464 230 M N 0.357 120.097 119.600 0.233 0.000 2.175 230 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 230 M C 2.244 178.735 176.300 0.318 0.000 1.063 230 M CA 0.682 56.180 55.300 0.330 0.000 1.119 230 M CB -1.074 31.702 32.600 0.294 0.000 1.377 230 M HN -0.022 nan 8.290 nan 0.000 0.415 231 A N 0.053 123.038 122.820 0.275 0.000 1.908 231 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 231 A C 2.385 180.052 177.584 0.137 0.000 1.181 231 A CA 1.989 54.147 52.037 0.202 0.000 0.627 231 A CB -0.728 18.429 19.000 0.262 0.000 0.818 231 A HN 0.461 nan 8.150 nan 0.000 0.445 232 R N -1.400 119.207 120.500 0.178 0.000 2.096 232 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 232 R C 2.148 178.556 176.300 0.180 0.000 1.127 232 R CA 1.527 57.711 56.100 0.140 0.000 0.968 232 R CB -0.386 30.002 30.300 0.148 0.000 0.861 232 R HN 0.831 nan 8.270 nan 0.000 0.440 233 W N 0.446 121.776 121.300 0.049 0.000 2.335 233 W HA -0.233 4.427 4.660 0.000 0.000 0.311 233 W C 1.474 177.941 176.519 -0.087 0.000 1.213 233 W CA 1.418 58.782 57.345 0.032 0.000 1.274 233 W CB -0.138 29.391 29.460 0.116 0.000 1.148 233 W HN -0.017 nan 8.180 nan 0.000 0.498 234 V N 1.376 121.218 119.914 -0.121 0.000 2.295 234 V HA -0.357 3.763 4.120 -0.000 0.000 0.246 234 V C 2.379 178.146 176.094 -0.546 0.000 1.049 234 V CA 2.373 64.398 62.300 -0.459 0.000 1.024 234 V CB -1.138 30.545 31.823 -0.234 0.000 0.648 234 V HN 0.270 nan 8.190 nan 0.000 0.447 235 Q N -0.162 119.467 119.800 -0.285 0.000 2.135 235 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 235 Q C 2.474 178.296 176.000 -0.297 0.000 0.981 235 Q CA 1.964 57.614 55.803 -0.255 0.000 0.856 235 Q CB -0.305 28.353 28.738 -0.133 0.000 0.902 235 Q HN 0.606 nan 8.270 nan 0.000 0.425 236 S N 0.835 116.368 115.700 -0.278 0.000 2.383 236 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 236 S C 1.551 175.900 174.600 -0.418 0.000 1.026 236 S CA 0.896 58.940 58.200 -0.260 0.000 0.981 236 S CB -0.151 62.965 63.200 -0.141 0.000 0.818 236 S HN 0.377 nan 8.310 nan 0.000 0.472 237 N N 1.101 119.382 118.700 -0.698 0.000 2.354 237 N HA 0.128 4.868 4.740 -0.000 0.000 0.179 237 N C 1.590 176.620 175.510 -0.800 0.000 1.021 237 N CA 0.504 53.052 53.050 -0.836 0.000 0.887 237 N CB -0.135 37.621 38.487 -1.219 0.000 0.974 237 N HN 0.327 nan 8.380 nan 0.000 0.437 238 L N 0.347 121.080 121.223 -0.817 0.000 2.093 238 L HA -0.033 4.306 4.340 -0.000 0.000 0.208 238 L C 0.954 177.654 176.870 -0.283 0.000 1.085 238 L CA 1.128 55.667 54.840 -0.501 0.000 0.755 238 L CB 0.092 41.898 42.059 -0.423 0.000 0.904 238 L HN -0.071 nan 8.230 nan 0.000 0.435 239 K N -0.986 119.256 120.400 -0.264 0.000 3.029 239 K HA 0.187 4.507 4.320 -0.000 0.000 0.169 239 K C -1.926 174.584 176.600 -0.150 0.000 1.090 239 K CA -1.117 55.066 56.287 -0.174 0.000 0.883 239 K CB 1.146 33.556 32.500 -0.149 0.000 1.080 239 K HN -0.160 nan 8.250 nan 0.000 0.613 240 P HA -0.132 nan 4.420 nan 0.000 0.223 240 P C 0.891 178.148 177.300 -0.073 0.000 1.151 240 P CA 0.831 63.864 63.100 -0.112 0.000 0.787 240 P CB 0.204 31.843 31.700 -0.102 0.000 0.788 241 L N -0.492 120.690 121.223 -0.068 0.000 2.362 241 L HA -0.098 4.242 4.340 -0.000 0.000 0.219 241 L C 1.783 178.625 176.870 -0.047 0.000 1.134 241 L CA 1.125 55.935 54.840 -0.051 0.000 0.807 241 L CB -1.040 40.989 42.059 -0.050 0.000 0.927 241 L HN -0.097 nan 8.230 nan 0.000 0.447 242 D N 0.358 120.724 120.400 -0.057 0.000 2.348 242 D HA 0.075 4.715 4.640 -0.000 0.000 0.216 242 D C 0.845 177.123 176.300 -0.037 0.000 0.970 242 D CA 0.639 54.610 54.000 -0.049 0.000 0.889 242 D CB 0.068 40.833 40.800 -0.059 0.000 0.912 242 D HN 0.254 nan 8.370 nan 0.000 0.524 243 I N 1.541 122.090 120.570 -0.035 0.000 2.471 243 I HA -0.004 4.166 4.170 -0.000 0.000 0.286 243 I C 1.407 177.516 176.117 -0.013 0.000 1.079 243 I CA -0.390 60.898 61.300 -0.019 0.000 1.398 243 I CB 0.899 38.890 38.000 -0.014 0.000 1.403 243 I HN -0.216 nan 8.210 nan 0.000 0.530 244 N N 3.894 122.589 118.700 -0.008 0.000 2.216 244 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 244 N C 0.157 175.663 175.510 -0.006 0.000 1.017 244 N CA 0.955 54.001 53.050 -0.008 0.000 0.861 244 N CB -0.031 38.452 38.487 -0.007 0.000 0.986 244 N HN 0.560 nan 8.380 nan 0.000 0.428 245 E N 1.066 121.266 120.200 -0.001 0.000 2.217 245 E HA 0.091 4.441 4.350 -0.000 0.000 0.279 245 E C 0.779 177.379 176.600 0.001 0.000 1.068 245 E CA 0.050 56.450 56.400 0.000 0.000 0.882 245 E CB 0.951 30.653 29.700 0.004 0.000 1.039 245 E HN 0.111 nan 8.360 nan 0.000 0.418 246 K N 1.280 121.680 120.400 -0.001 0.000 2.026 246 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 246 K C 1.961 178.564 176.600 0.005 0.000 1.048 246 K CA 1.824 58.111 56.287 -0.001 0.000 0.929 246 K CB -0.107 32.391 32.500 -0.003 0.000 0.713 246 K HN 0.629 nan 8.250 nan 0.000 0.439 247 T N 0.102 114.659 114.554 0.006 0.000 2.867 247 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 247 T C 1.828 176.541 174.700 0.022 0.000 1.057 247 T CA 0.779 62.886 62.100 0.012 0.000 1.136 247 T CB -0.158 68.713 68.868 0.006 0.000 0.874 247 T HN 0.029 nan 8.240 nan 0.000 0.466 248 L N 1.090 122.327 121.223 0.023 0.000 2.072 248 L HA 0.123 4.463 4.340 -0.000 0.000 0.205 248 L C 2.831 179.723 176.870 0.037 0.000 1.079 248 L CA 1.691 56.557 54.840 0.042 0.000 0.752 248 L CB -1.010 41.078 42.059 0.048 0.000 0.906 248 L HN 0.361 nan 8.230 nan 0.000 0.436 249 Q N -0.707 119.103 119.800 0.017 0.000 2.077 249 Q HA -0.315 4.025 4.340 -0.000 0.000 0.206 249 Q C 2.143 178.147 176.000 0.007 0.000 0.989 249 Q CA 2.541 58.344 55.803 0.000 0.000 0.853 249 Q CB -0.175 28.557 28.738 -0.009 0.000 0.907 249 Q HN 0.674 nan 8.270 nan 0.000 0.418 250 Q N -0.798 119.012 119.800 0.016 0.000 2.119 250 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 250 Q C 2.071 178.100 176.000 0.049 0.000 0.972 250 Q CA 1.080 56.898 55.803 0.025 0.000 0.847 250 Q CB -0.226 28.527 28.738 0.025 0.000 0.903 250 Q HN 0.582 nan 8.270 nan 0.000 0.433 251 G N 1.387 110.224 108.800 0.062 0.000 2.446 251 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 251 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 251 G C 1.418 176.389 174.900 0.119 0.000 1.168 251 G CA 0.648 45.806 45.100 0.097 0.000 0.771 251 G HN 0.182 nan 8.290 nan 0.000 0.551 252 I N 0.651 121.272 120.570 0.086 0.000 2.163 252 I HA -0.217 3.952 4.170 -0.000 0.000 0.243 252 I C 2.892 179.042 176.117 0.056 0.000 1.085 252 I CA 1.427 62.764 61.300 0.061 0.000 1.347 252 I CB -1.062 36.916 38.000 -0.037 0.000 1.044 252 I HN 0.346 nan 8.210 nan 0.000 0.408 253 Q N 0.531 120.349 119.800 0.028 0.000 2.084 253 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 253 Q C 2.428 178.459 176.000 0.053 0.000 0.978 253 Q CA 1.267 57.079 55.803 0.015 0.000 0.844 253 Q CB -0.147 28.588 28.738 -0.006 0.000 0.898 253 Q HN 0.501 nan 8.270 nan 0.000 0.426 254 L N 0.066 121.345 121.223 0.093 0.000 2.131 254 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 254 L C 2.425 179.446 176.870 0.253 0.000 1.092 254 L CA 0.801 55.735 54.840 0.156 0.000 0.759 254 L CB -0.553 41.606 42.059 0.168 0.000 0.903 254 L HN 0.211 nan 8.230 nan 0.000 0.435 255 A N -0.668 122.301 122.820 0.249 0.000 2.015 255 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 255 A C 2.095 179.904 177.584 0.375 0.000 1.163 255 A CA 1.180 53.422 52.037 0.340 0.000 0.646 255 A CB -0.252 18.985 19.000 0.396 0.000 0.806 255 A HN 0.482 nan 8.150 nan 0.000 0.448 256 Q N 0.103 120.037 119.800 0.224 0.000 2.319 256 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 256 Q C -0.111 175.900 176.000 0.018 0.000 0.896 256 Q CA -0.321 55.550 55.803 0.114 0.000 0.942 256 Q CB 0.355 29.085 28.738 -0.014 0.000 1.083 256 Q HN 0.509 nan 8.270 nan 0.000 0.510 257 S N 1.090 116.778 115.700 -0.021 0.000 2.568 257 S HA 0.157 4.627 4.470 -0.000 0.000 0.282 257 S C 0.057 174.426 174.600 -0.385 0.000 1.338 257 S CA -0.005 58.022 58.200 -0.288 0.000 1.045 257 S CB 0.506 63.405 63.200 -0.503 0.000 0.873 257 S HN 0.240 nan 8.310 nan 0.000 0.516 258 R N 1.668 121.923 120.500 -0.407 0.000 2.204 258 R HA 0.243 4.583 4.340 -0.000 0.000 0.341 258 R C -0.341 175.765 176.300 -0.323 0.000 1.035 258 R CA -0.154 55.816 56.100 -0.217 0.000 0.887 258 R CB 0.352 30.503 30.300 -0.247 0.000 1.114 258 R HN 0.682 nan 8.270 nan 0.000 0.473 259 Y N 0.652 120.953 120.300 0.002 0.000 2.389 259 Y HA 0.129 4.679 4.550 -0.000 0.000 0.292 259 Y C 0.165 175.761 175.900 -0.506 0.000 1.117 259 Y CA 0.392 58.332 58.100 -0.268 0.000 1.195 259 Y CB 0.496 38.806 38.460 -0.251 0.000 1.076 259 Y HN 0.452 nan 8.280 nan 0.000 0.548 260 W N -0.233 121.236 121.300 0.281 0.000 3.127 260 W HA 0.550 5.210 4.660 0.000 0.000 0.330 260 W C -0.876 175.760 176.519 0.196 0.000 1.187 260 W CA -0.980 56.488 57.345 0.205 0.000 1.198 260 W CB 1.154 30.717 29.460 0.171 0.000 1.408 260 W HN -0.454 nan 8.180 nan 0.000 0.529 261 Q N 1.516 121.521 119.800 0.342 0.000 2.333 261 Q HA 0.624 4.964 4.340 -0.000 0.000 0.267 261 Q C -1.088 174.933 176.000 0.035 0.000 1.012 261 Q CA -0.435 55.393 55.803 0.042 0.000 0.824 261 Q CB 2.314 31.001 28.738 -0.086 0.000 1.290 261 Q HN 0.450 nan 8.270 nan 0.000 0.449 262 T N 2.496 117.022 114.554 -0.047 0.000 2.881 262 T HA 0.622 4.972 4.350 -0.000 0.000 0.291 262 T C 0.450 175.093 174.700 -0.094 0.000 0.990 262 T CA 0.706 62.780 62.100 -0.044 0.000 0.976 262 T CB 0.861 69.721 68.868 -0.015 0.000 0.970 262 T HN 0.994 nan 8.240 nan 0.000 0.438 263 G N 5.402 114.149 108.800 -0.089 0.000 2.622 263 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.307 263 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.307 263 G C 0.377 175.186 174.900 -0.151 0.000 1.226 263 G CA 0.858 45.901 45.100 -0.096 0.000 0.997 263 G HN 1.027 nan 8.290 nan 0.000 0.551 264 D N 0.597 120.915 120.400 -0.137 0.000 2.368 264 D HA 0.309 4.949 4.640 -0.000 0.000 0.218 264 D C 1.228 177.409 176.300 -0.199 0.000 1.112 264 D CA 0.759 54.666 54.000 -0.155 0.000 0.834 264 D CB -0.358 40.392 40.800 -0.083 0.000 0.953 264 D HN 0.916 nan 8.370 nan 0.000 0.505 265 M N -1.196 118.273 119.600 -0.219 0.000 2.578 265 M HA 0.650 5.130 4.480 -0.000 0.000 0.321 265 M C -1.525 174.617 176.300 -0.263 0.000 1.182 265 M CA -0.871 54.364 55.300 -0.109 0.000 0.965 265 M CB 1.851 34.502 32.600 0.086 0.000 1.694 265 M HN -0.241 nan 8.290 nan 0.000 0.461 266 Y N 0.068 120.477 120.300 0.182 0.000 2.409 266 Y HA 0.520 5.070 4.550 0.000 0.000 0.343 266 Y C -0.587 175.471 175.900 0.263 0.000 0.973 266 Y CA -0.721 57.498 58.100 0.199 0.000 1.064 266 Y CB 1.968 40.509 38.460 0.136 0.000 1.207 266 Y HN 0.673 nan 8.280 nan 0.000 0.452 267 Q N 1.913 121.989 119.800 0.461 0.000 2.296 267 Q HA 0.568 4.908 4.340 -0.000 0.000 0.257 267 Q C 0.016 176.305 176.000 0.481 0.000 0.942 267 Q CA -0.155 55.918 55.803 0.451 0.000 0.939 267 Q CB 1.175 30.186 28.738 0.456 0.000 1.198 267 Q HN 0.897 nan 8.270 nan 0.000 0.429 268 G N 2.790 111.847 108.800 0.427 0.000 2.736 268 G HA2 0.488 4.448 3.960 -0.000 0.000 0.229 268 G HA3 0.488 4.448 3.960 -0.000 0.000 0.229 268 G C -0.937 174.141 174.900 0.297 0.000 1.380 268 G CA -0.846 44.530 45.100 0.459 0.000 1.040 268 G HN 0.602 nan 8.290 nan 0.000 0.568 269 L N 1.095 122.468 121.223 0.249 0.000 2.270 269 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 269 L C 1.380 178.288 176.870 0.064 0.000 1.059 269 L CA 0.415 55.267 54.840 0.020 0.000 0.839 269 L CB 0.500 42.560 42.059 0.000 0.000 1.221 269 L HN 1.034 nan 8.230 nan 0.000 0.431 270 G N 2.047 110.843 108.800 -0.007 0.000 4.039 270 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 270 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 270 G C 0.035 174.962 174.900 0.045 0.000 1.391 270 G CA -0.153 44.937 45.100 -0.017 0.000 0.920 270 G HN 0.519 nan 8.290 nan 0.000 0.599 271 W N 2.394 123.816 121.300 0.203 0.000 2.148 271 W HA 0.555 5.215 4.660 -0.000 0.000 0.347 271 W C 0.863 177.524 176.519 0.238 0.000 1.288 271 W CA -0.119 57.346 57.345 0.201 0.000 1.252 271 W CB 0.370 29.921 29.460 0.152 0.000 1.156 271 W HN 0.351 nan 8.180 nan 0.000 0.580 272 E N 1.458 122.014 120.200 0.593 0.000 2.227 272 E HA 0.599 4.949 4.350 -0.000 0.000 0.268 272 E C -0.886 176.013 176.600 0.499 0.000 0.907 272 E CA -1.173 55.537 56.400 0.517 0.000 0.786 272 E CB 1.763 31.764 29.700 0.501 0.000 1.191 272 E HN 0.175 nan 8.360 nan 0.000 0.411 273 M N 1.861 121.706 119.600 0.408 0.000 2.501 273 M HA 0.456 4.936 4.480 -0.000 0.000 0.293 273 M C -1.592 174.934 176.300 0.376 0.000 1.192 273 M CA -0.349 55.133 55.300 0.303 0.000 0.886 273 M CB 1.775 34.486 32.600 0.184 0.000 1.710 273 M HN 0.292 nan 8.290 nan 0.000 0.457 274 L N 0.640 122.050 121.223 0.311 0.000 2.371 274 L HA 0.563 4.903 4.340 -0.000 0.000 0.262 274 L C -0.678 176.363 176.870 0.284 0.000 1.006 274 L CA -0.709 54.318 54.840 0.312 0.000 0.818 274 L CB 1.792 43.947 42.059 0.160 0.000 1.354 274 L HN 0.546 nan 8.230 nan 0.000 0.415 275 D N 0.918 121.478 120.400 0.267 0.000 2.455 275 D HA -0.055 4.585 4.640 -0.000 0.000 0.241 275 D C -0.862 175.572 176.300 0.222 0.000 1.138 275 D CA 0.261 54.380 54.000 0.198 0.000 0.877 275 D CB 1.044 41.930 40.800 0.144 0.000 1.187 275 D HN 0.359 nan 8.370 nan 0.000 0.451 276 W N 4.659 126.014 121.300 0.091 0.000 2.390 276 W HA 0.263 4.922 4.660 -0.000 0.000 0.312 276 W C -2.266 174.300 176.519 0.078 0.000 1.123 276 W CA -1.780 55.633 57.345 0.114 0.000 1.202 276 W CB 1.074 30.613 29.460 0.133 0.000 1.251 276 W HN 0.235 nan 8.180 nan 0.000 0.511 277 P HA 0.167 nan 4.420 nan 0.000 0.275 277 P C -0.618 176.332 177.300 -0.584 0.000 1.228 277 P CA -0.051 62.258 63.100 -1.319 0.000 0.786 277 P CB 1.498 32.607 31.700 -0.984 0.000 0.927 278 V N -0.305 119.277 119.914 -0.553 0.000 2.713 278 V HA 0.427 4.547 4.120 -0.000 0.000 0.307 278 V C 0.467 176.330 176.094 -0.384 0.000 1.052 278 V CA -1.097 61.019 62.300 -0.308 0.000 0.967 278 V CB 1.135 32.783 31.823 -0.291 0.000 1.019 278 V HN 0.535 nan 8.190 nan 0.000 0.459 279 N N 4.192 122.684 118.700 -0.348 0.000 2.401 279 N HA 0.273 5.013 4.740 -0.000 0.000 0.255 279 N C -1.331 173.834 175.510 -0.575 0.000 1.110 279 N CA -2.077 50.736 53.050 -0.394 0.000 0.949 279 N CB 1.506 39.831 38.487 -0.270 0.000 1.110 279 N HN 0.464 nan 8.380 nan 0.000 0.490 280 P HA -0.107 nan 4.420 nan 0.000 0.216 280 P C 0.452 177.378 177.300 -0.625 0.000 1.150 280 P CA 1.032 63.444 63.100 -1.146 0.000 0.837 280 P CB 0.498 31.081 31.700 -1.862 0.000 0.786 281 D N -0.527 119.602 120.400 -0.451 0.000 2.178 281 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 281 D C 2.208 178.368 176.300 -0.234 0.000 0.980 281 D CA 1.120 54.950 54.000 -0.283 0.000 0.842 281 D CB -0.597 40.076 40.800 -0.213 0.000 0.948 281 D HN 0.137 nan 8.370 nan 0.000 0.472 282 S N 0.317 115.863 115.700 -0.256 0.000 2.345 282 S HA -0.124 4.346 4.470 -0.000 0.000 0.220 282 S C 2.215 176.716 174.600 -0.165 0.000 1.031 282 S CA 1.261 59.347 58.200 -0.190 0.000 0.996 282 S CB -0.283 62.806 63.200 -0.185 0.000 0.882 282 S HN 0.397 nan 8.310 nan 0.000 0.445 283 I N -0.425 120.004 120.570 -0.235 0.000 2.286 283 I HA -0.081 4.089 4.170 -0.000 0.000 0.248 283 I C 2.135 178.204 176.117 -0.080 0.000 1.115 283 I CA 1.448 62.663 61.300 -0.142 0.000 1.392 283 I CB -0.617 37.206 38.000 -0.294 0.000 1.065 283 I HN 0.269 nan 8.210 nan 0.000 0.418 284 I N 1.895 122.367 120.570 -0.163 0.000 2.133 284 I HA -0.228 3.942 4.170 -0.000 0.000 0.238 284 I C 2.381 178.446 176.117 -0.087 0.000 1.074 284 I CA 1.494 62.725 61.300 -0.115 0.000 1.342 284 I CB -0.739 37.179 38.000 -0.136 0.000 1.053 284 I HN 0.277 nan 8.210 nan 0.000 0.404 285 N N 1.250 119.891 118.700 -0.098 0.000 2.166 285 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 285 N C 1.883 177.356 175.510 -0.060 0.000 1.019 285 N CA 1.627 54.631 53.050 -0.077 0.000 0.856 285 N CB -0.815 37.623 38.487 -0.081 0.000 0.993 285 N HN 0.437 nan 8.380 nan 0.000 0.426 286 G N 0.191 108.960 108.800 -0.052 0.000 2.509 286 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 286 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 286 G C 1.591 176.479 174.900 -0.020 0.000 1.124 286 G CA 1.161 46.245 45.100 -0.027 0.000 0.776 286 G HN 0.510 nan 8.290 nan 0.000 0.547 287 S N -0.330 115.358 115.700 -0.021 0.000 2.496 287 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 287 S C 0.818 175.369 174.600 -0.080 0.000 0.996 287 S CA 0.042 58.217 58.200 -0.041 0.000 0.927 287 S CB -0.043 63.134 63.200 -0.038 0.000 0.774 287 S HN 0.260 nan 8.310 nan 0.000 0.524 288 D N 2.171 122.529 120.400 -0.071 0.000 2.493 288 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 288 D C 0.442 176.695 176.300 -0.079 0.000 1.142 288 D CA 0.115 54.073 54.000 -0.070 0.000 0.872 288 D CB 0.498 41.265 40.800 -0.055 0.000 1.173 288 D HN 0.119 nan 8.370 nan 0.000 0.467 289 N N 3.180 121.831 118.700 -0.082 0.000 2.348 289 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 289 N C 1.620 177.090 175.510 -0.066 0.000 1.019 289 N CA 0.807 53.803 53.050 -0.090 0.000 0.880 289 N CB -0.134 38.308 38.487 -0.076 0.000 0.965 289 N HN 0.649 nan 8.380 nan 0.000 0.437 290 K N 0.059 120.431 120.400 -0.047 0.000 2.209 290 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 290 K C 1.295 177.873 176.600 -0.037 0.000 1.048 290 K CA 0.984 57.252 56.287 -0.033 0.000 0.940 290 K CB 0.065 32.550 32.500 -0.026 0.000 0.729 290 K HN 0.021 nan 8.250 nan 0.000 0.451 291 I N 1.515 122.055 120.570 -0.050 0.000 2.685 291 I HA 0.051 4.221 4.170 -0.000 0.000 0.251 291 I C 2.625 178.702 176.117 -0.067 0.000 1.102 291 I CA 0.989 62.259 61.300 -0.050 0.000 1.442 291 I CB -1.333 36.638 38.000 -0.048 0.000 1.194 291 I HN 0.242 nan 8.210 nan 0.000 0.448 292 A N 0.872 123.631 122.820 -0.103 0.000 2.019 292 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 292 A C 2.140 179.594 177.584 -0.217 0.000 1.164 292 A CA 1.246 53.179 52.037 -0.173 0.000 0.644 292 A CB -0.676 18.179 19.000 -0.242 0.000 0.805 292 A HN 0.439 nan 8.150 nan 0.000 0.449 293 L N -1.023 120.115 121.223 -0.141 0.000 2.607 293 L HA 0.279 4.619 4.340 -0.000 0.000 0.228 293 L C 1.042 177.914 176.870 0.003 0.000 1.123 293 L CA -0.108 54.692 54.840 -0.066 0.000 0.890 293 L CB -0.198 41.840 42.059 -0.035 0.000 1.103 293 L HN 0.357 nan 8.230 nan 0.000 0.468 294 A N 0.613 123.426 122.820 -0.012 0.000 2.293 294 A HA 0.716 5.036 4.320 -0.000 0.000 0.302 294 A C 0.376 177.961 177.584 0.001 0.000 1.119 294 A CA -0.294 51.750 52.037 0.011 0.000 0.823 294 A CB 0.626 19.622 19.000 -0.005 0.000 1.097 294 A HN 0.175 nan 8.150 nan 0.000 0.491 295 A N 1.845 124.672 122.820 0.012 0.000 2.477 295 A HA 0.545 4.865 4.320 -0.000 0.000 0.246 295 A C 0.464 177.955 177.584 -0.155 0.000 1.078 295 A CA 0.126 52.100 52.037 -0.105 0.000 0.770 295 A CB 0.052 18.932 19.000 -0.200 0.000 1.011 295 A HN 0.802 nan 8.150 nan 0.000 0.494 296 R N 2.341 122.722 120.500 -0.200 0.000 2.621 296 R HA 0.445 4.785 4.340 -0.000 0.000 0.284 296 R C -3.024 173.146 176.300 -0.216 0.000 0.998 296 R CA -1.939 54.061 56.100 -0.166 0.000 0.895 296 R CB 2.282 32.528 30.300 -0.090 0.000 1.195 296 R HN 0.510 nan 8.270 nan 0.000 0.450 297 P HA 0.039 nan 4.420 nan 0.000 0.271 297 P C -0.371 176.870 177.300 -0.098 0.000 1.216 297 P CA -0.254 62.740 63.100 -0.176 0.000 0.771 297 P CB 0.937 32.562 31.700 -0.126 0.000 0.864 298 V N 0.262 120.126 119.914 -0.083 0.000 2.667 298 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 298 V C -0.045 176.163 176.094 0.190 0.000 1.048 298 V CA -1.170 61.160 62.300 0.049 0.000 0.928 298 V CB 1.691 33.502 31.823 -0.020 0.000 1.004 298 V HN 0.206 nan 8.190 nan 0.000 0.444 299 K N 2.844 123.396 120.400 0.254 0.000 2.213 299 K HA 0.756 5.076 4.320 -0.000 0.000 0.270 299 K C 0.188 177.018 176.600 0.383 0.000 1.002 299 K CA 0.089 56.535 56.287 0.265 0.000 0.868 299 K CB 1.550 34.140 32.500 0.149 0.000 1.093 299 K HN 1.144 nan 8.250 nan 0.000 0.454 300 A N 4.104 127.126 122.820 0.338 0.000 2.511 300 A HA 0.198 4.518 4.320 -0.000 0.000 0.242 300 A C -0.219 177.325 177.584 -0.068 0.000 1.069 300 A CA -0.090 51.910 52.037 -0.061 0.000 0.763 300 A CB -0.030 18.883 19.000 -0.145 0.000 1.001 300 A HN 0.578 nan 8.150 nan 0.000 0.498 301 I N 3.142 123.606 120.570 -0.178 0.000 2.306 301 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 301 I C 0.051 176.079 176.117 -0.148 0.000 1.036 301 I CA 0.296 61.538 61.300 -0.096 0.000 1.221 301 I CB 0.249 38.209 38.000 -0.067 0.000 1.385 301 I HN 0.508 nan 8.210 nan 0.000 0.472 302 T N 7.499 121.998 114.554 -0.092 0.000 2.977 302 T HA 0.448 4.798 4.350 -0.000 0.000 0.346 302 T C -1.613 173.053 174.700 -0.057 0.000 1.140 302 T CA -0.874 61.178 62.100 -0.081 0.000 1.040 302 T CB 1.140 69.977 68.868 -0.051 0.000 1.046 302 T HN 0.439 nan 8.240 nan 0.000 0.494 303 P HA 0.524 nan 4.420 nan 0.000 0.278 303 P C -3.026 174.195 177.300 -0.130 0.000 1.266 303 P CA -2.003 61.046 63.100 -0.086 0.000 0.807 303 P CB -0.005 31.657 31.700 -0.063 0.000 1.094 304 P HA 0.087 nan 4.420 nan 0.000 0.268 304 P C -0.353 176.790 177.300 -0.262 0.000 1.205 304 P CA 0.305 63.220 63.100 -0.309 0.000 0.771 304 P CB -0.008 31.363 31.700 -0.548 0.000 0.858 305 T N 5.349 119.744 114.554 -0.265 0.000 2.814 305 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 305 T C -2.093 172.468 174.700 -0.232 0.000 0.956 305 T CA -0.979 60.990 62.100 -0.219 0.000 1.123 305 T CB -0.187 68.542 68.868 -0.233 0.000 0.902 305 T HN 0.285 nan 8.240 nan 0.000 0.528 306 P HA 0.225 nan 4.420 nan 0.000 0.271 306 P C -0.506 176.712 177.300 -0.137 0.000 1.233 306 P CA -0.585 62.430 63.100 -0.142 0.000 0.789 306 P CB 0.284 31.926 31.700 -0.097 0.000 0.951 307 A N 1.875 124.629 122.820 -0.110 0.000 2.572 307 A HA 0.031 4.351 4.320 -0.000 0.000 0.256 307 A C 0.207 177.732 177.584 -0.098 0.000 1.041 307 A CA 0.280 52.258 52.037 -0.098 0.000 0.790 307 A CB -1.003 17.954 19.000 -0.072 0.000 0.947 307 A HN 0.360 nan 8.150 nan 0.000 0.518 308 V N 6.118 125.966 119.914 -0.111 0.000 2.432 308 V HA 0.098 4.218 4.120 -0.000 0.000 0.271 308 V C 1.590 177.643 176.094 -0.068 0.000 1.046 308 V CA -0.178 62.067 62.300 -0.092 0.000 0.945 308 V CB 0.776 32.532 31.823 -0.112 0.000 0.992 308 V HN 1.056 nan 8.190 nan 0.000 0.471 309 R N 3.665 124.133 120.500 -0.053 0.000 2.096 309 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 309 R C 1.346 177.629 176.300 -0.028 0.000 1.127 309 R CA 1.391 57.462 56.100 -0.049 0.000 0.968 309 R CB -0.084 30.188 30.300 -0.046 0.000 0.861 309 R HN 0.746 nan 8.270 nan 0.000 0.440 310 A N 1.595 124.426 122.820 0.019 0.000 3.063 310 A HA 0.237 4.557 4.320 -0.000 0.000 0.263 310 A C -0.555 177.126 177.584 0.162 0.000 1.736 310 A CA 0.090 52.195 52.037 0.113 0.000 1.408 310 A CB 0.045 19.134 19.000 0.148 0.000 1.108 310 A HN 0.053 nan 8.150 nan 0.000 0.621 311 S N 0.464 116.223 115.700 0.098 0.000 2.570 311 S HA 0.500 4.970 4.470 -0.000 0.000 0.286 311 S C -0.926 173.747 174.600 0.121 0.000 1.099 311 S CA -0.592 57.681 58.200 0.122 0.000 0.913 311 S CB 1.175 64.361 63.200 -0.023 0.000 1.085 311 S HN 0.683 nan 8.310 nan 0.000 0.480 312 W N 4.037 125.366 121.300 0.049 0.000 2.332 312 W HA 0.547 5.207 4.660 -0.000 0.000 0.306 312 W C -1.768 174.604 176.519 -0.245 0.000 1.149 312 W CA -0.438 56.873 57.345 -0.057 0.000 1.271 312 W CB 0.507 30.039 29.460 0.119 0.000 1.243 312 W HN 0.341 nan 8.180 nan 0.000 0.459 313 V N 7.414 126.874 119.914 -0.756 0.000 2.459 313 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 313 V C -0.160 175.510 176.094 -0.707 0.000 1.029 313 V CA -0.462 61.365 62.300 -0.789 0.000 0.874 313 V CB 1.481 32.332 31.823 -1.620 0.000 0.985 313 V HN 0.669 nan 8.190 nan 0.000 0.438 314 H N 2.257 121.250 119.070 -0.129 0.000 2.967 314 H HA 0.882 5.438 4.556 -0.000 0.000 0.318 314 H C -1.337 174.269 175.328 0.463 0.000 1.375 314 H CA -1.242 54.870 56.048 0.105 0.000 1.132 314 H CB 2.170 32.028 29.762 0.159 0.000 1.848 314 H HN 0.464 nan 8.280 nan 0.000 0.524 315 K N 1.331 121.867 120.400 0.226 0.000 2.570 315 K HA 0.251 4.571 4.320 -0.000 0.000 0.256 315 K C -1.304 175.426 176.600 0.217 0.000 0.939 315 K CA -0.058 56.314 56.287 0.143 0.000 0.833 315 K CB 2.044 34.608 32.500 0.107 0.000 1.318 315 K HN 0.907 nan 8.250 nan 0.000 0.433 316 T N 0.091 114.787 114.554 0.237 0.000 2.913 316 T HA 0.805 5.155 4.350 -0.000 0.000 0.287 316 T C 0.411 175.234 174.700 0.205 0.000 1.008 316 T CA -0.389 61.880 62.100 0.283 0.000 1.067 316 T CB 1.499 70.441 68.868 0.124 0.000 0.996 316 T HN 0.617 nan 8.240 nan 0.000 0.513 317 G N -0.463 108.456 108.800 0.199 0.000 2.667 317 G HA2 0.739 4.699 3.960 -0.000 0.000 0.298 317 G HA3 0.739 4.699 3.960 -0.000 0.000 0.298 317 G C -1.507 173.493 174.900 0.167 0.000 1.377 317 G CA -0.728 44.487 45.100 0.192 0.000 0.964 317 G HN 1.124 nan 8.290 nan 0.000 0.493 318 A N 0.641 123.557 122.820 0.160 0.000 2.520 318 A HA 0.951 5.271 4.320 -0.000 0.000 0.298 318 A C 0.049 177.726 177.584 0.155 0.000 1.051 318 A CA 0.016 52.147 52.037 0.156 0.000 0.690 318 A CB 1.675 20.729 19.000 0.090 0.000 1.281 318 A HN 1.678 nan 8.150 nan 0.000 0.402 319 T N -1.548 113.138 114.554 0.219 0.000 2.807 319 T HA 0.639 4.989 4.350 -0.000 0.000 0.277 319 T C 1.367 176.183 174.700 0.193 0.000 1.006 319 T CA 0.116 62.325 62.100 0.182 0.000 1.006 319 T CB 0.979 70.005 68.868 0.263 0.000 1.274 319 T HN 1.395 nan 8.240 nan 0.000 0.569 320 G N -0.294 108.605 108.800 0.165 0.000 2.442 320 G HA2 0.120 4.080 3.960 -0.000 0.000 0.219 320 G HA3 0.120 4.080 3.960 -0.000 0.000 0.219 320 G C 1.187 176.183 174.900 0.161 0.000 1.141 320 G CA 0.602 45.783 45.100 0.135 0.000 0.763 320 G HN 1.124 nan 8.290 nan 0.000 0.554 321 G N -1.352 107.592 108.800 0.241 0.000 3.277 321 G HA2 0.481 4.441 3.960 -0.000 0.000 0.243 321 G HA3 0.481 4.441 3.960 -0.000 0.000 0.243 321 G C -0.434 174.465 174.900 -0.002 0.000 1.107 321 G CA -0.457 44.706 45.100 0.105 0.000 0.771 321 G HN 0.202 nan 8.290 nan 0.000 0.544 322 F N -0.743 119.340 119.950 0.222 0.000 2.613 322 F HA 0.677 5.204 4.527 -0.000 0.000 0.310 322 F C 0.238 176.179 175.800 0.236 0.000 1.085 322 F CA -0.981 57.189 58.000 0.283 0.000 0.945 322 F CB 2.467 41.657 39.000 0.317 0.000 1.298 322 F HN 0.030 nan 8.300 nan 0.000 0.455 323 G N 0.746 109.820 108.800 0.457 0.000 2.719 323 G HA2 0.576 4.536 3.960 -0.000 0.000 0.298 323 G HA3 0.576 4.536 3.960 -0.000 0.000 0.298 323 G C -1.608 173.464 174.900 0.288 0.000 1.433 323 G CA -0.765 44.491 45.100 0.259 0.000 1.034 323 G HN 0.747 nan 8.290 nan 0.000 0.517 324 S N 0.667 116.507 115.700 0.234 0.000 2.599 324 S HA 0.854 5.324 4.470 -0.000 0.000 0.287 324 S C -1.503 173.288 174.600 0.318 0.000 1.105 324 S CA -0.972 57.386 58.200 0.263 0.000 0.899 324 S CB 2.464 65.815 63.200 0.251 0.000 1.100 324 S HN 1.085 nan 8.310 nan 0.000 0.482 325 Y N 0.215 120.620 120.300 0.175 0.000 2.519 325 Y HA 0.645 5.195 4.550 -0.000 0.000 0.336 325 Y C -1.945 174.105 175.900 0.250 0.000 1.089 325 Y CA -0.951 57.268 58.100 0.198 0.000 1.025 325 Y CB 1.710 40.286 38.460 0.193 0.000 1.318 325 Y HN 0.777 nan 8.280 nan 0.000 0.452 326 V N 4.294 124.033 119.914 -0.292 0.000 2.686 326 V HA 0.964 5.084 4.120 -0.000 0.000 0.306 326 V C -0.900 174.957 176.094 -0.396 0.000 1.065 326 V CA -0.319 61.909 62.300 -0.119 0.000 0.894 326 V CB 1.469 33.475 31.823 0.306 0.000 1.004 326 V HN 1.005 nan 8.190 nan 0.000 0.424 327 A N 4.727 127.340 122.820 -0.345 0.000 2.520 327 A HA 1.040 5.360 4.320 -0.000 0.000 0.298 327 A C -1.286 176.024 177.584 -0.458 0.000 1.051 327 A CA -0.517 51.174 52.037 -0.576 0.000 0.690 327 A CB 1.815 20.346 19.000 -0.781 0.000 1.281 327 A HN 1.456 nan 8.150 nan 0.000 0.402 328 F N -0.737 118.761 119.950 -0.753 0.000 2.668 328 F HA 0.829 5.356 4.527 -0.000 0.000 0.309 328 F C -1.435 174.006 175.800 -0.597 0.000 1.117 328 F CA -1.226 56.408 58.000 -0.609 0.000 0.951 328 F CB 1.297 40.006 39.000 -0.485 0.000 1.323 328 F HN 0.298 nan 8.300 nan 0.000 0.451 329 I N 2.382 122.772 120.570 -0.300 0.000 2.495 329 I HA 0.330 4.500 4.170 -0.000 0.000 0.277 329 I C -2.179 173.823 176.117 -0.190 0.000 1.045 329 I CA -1.825 59.263 61.300 -0.353 0.000 1.135 329 I CB 1.842 39.489 38.000 -0.589 0.000 1.241 329 I HN 0.388 nan 8.210 nan 0.000 0.469 330 P HA -0.208 nan 4.420 nan 0.000 0.216 330 P C 1.437 178.669 177.300 -0.114 0.000 1.150 330 P CA 1.165 64.224 63.100 -0.068 0.000 0.837 330 P CB 0.320 31.994 31.700 -0.044 0.000 0.786 331 E N -0.046 120.081 120.200 -0.121 0.000 2.160 331 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 331 E C 1.197 177.718 176.600 -0.133 0.000 0.991 331 E CA 1.115 57.453 56.400 -0.104 0.000 0.810 331 E CB -0.071 29.589 29.700 -0.066 0.000 0.742 331 E HN 0.055 nan 8.360 nan 0.000 0.466 332 K N 0.207 120.489 120.400 -0.197 0.000 2.374 332 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 332 K C -0.080 176.405 176.600 -0.192 0.000 1.023 332 K CA 0.166 56.332 56.287 -0.203 0.000 1.103 332 K CB 0.514 32.842 32.500 -0.286 0.000 0.848 332 K HN 0.168 nan 8.250 nan 0.000 0.528 333 E N 0.602 120.698 120.200 -0.173 0.000 2.389 333 E HA -0.232 4.118 4.350 -0.000 0.000 0.243 333 E C -0.815 175.688 176.600 -0.160 0.000 1.154 333 E CA 0.316 56.616 56.400 -0.167 0.000 0.723 333 E CB -1.359 28.238 29.700 -0.172 0.000 1.261 333 E HN 0.051 nan 8.360 nan 0.000 0.390 334 L N -0.513 120.619 121.223 -0.151 0.000 2.401 334 L HA 0.816 5.156 4.340 -0.000 0.000 0.266 334 L C 0.007 176.818 176.870 -0.097 0.000 0.991 334 L CA 0.302 55.078 54.840 -0.107 0.000 0.818 334 L CB 2.147 44.127 42.059 -0.132 0.000 1.321 334 L HN 0.055 nan 8.230 nan 0.000 0.413 335 G N 3.835 112.608 108.800 -0.045 0.000 2.576 335 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 335 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 335 G C -2.270 172.635 174.900 0.009 0.000 1.442 335 G CA -0.433 44.641 45.100 -0.044 0.000 0.792 335 G HN 0.810 nan 8.290 nan 0.000 0.491 336 I N -0.262 120.318 120.570 0.016 0.000 2.802 336 I HA 0.696 4.866 4.170 -0.000 0.000 0.298 336 I C -1.313 174.872 176.117 0.113 0.000 1.176 336 I CA -1.055 60.300 61.300 0.092 0.000 1.025 336 I CB 2.358 40.434 38.000 0.127 0.000 1.243 336 I HN 0.389 nan 8.210 nan 0.000 0.424 337 V N 7.089 127.107 119.914 0.173 0.000 2.588 337 V HA 0.519 4.639 4.120 -0.000 0.000 0.304 337 V C -0.526 175.704 176.094 0.227 0.000 1.042 337 V CA -0.448 61.972 62.300 0.199 0.000 0.877 337 V CB 1.796 33.752 31.823 0.221 0.000 0.996 337 V HN 0.640 nan 8.190 nan 0.000 0.425 338 M N 6.198 125.941 119.600 0.239 0.000 2.093 338 M HA 0.601 5.081 4.480 -0.000 0.000 0.297 338 M C -1.302 175.096 176.300 0.164 0.000 0.938 338 M CA -0.142 55.297 55.300 0.231 0.000 0.920 338 M CB 1.811 34.594 32.600 0.306 0.000 1.517 338 M HN 0.382 nan 8.290 nan 0.000 0.427 339 L N 2.984 124.198 121.223 -0.015 0.000 2.325 339 L HA 0.955 5.295 4.340 -0.000 0.000 0.281 339 L C -0.384 176.308 176.870 -0.298 0.000 1.004 339 L CA -0.719 53.953 54.840 -0.280 0.000 0.823 339 L CB 1.745 43.277 42.059 -0.878 0.000 1.236 339 L HN 0.789 nan 8.230 nan 0.000 0.415 340 A N 2.038 124.959 122.820 0.169 0.000 2.414 340 A HA 0.558 4.878 4.320 -0.000 0.000 0.306 340 A C -0.251 177.698 177.584 0.607 0.000 1.054 340 A CA -0.761 51.517 52.037 0.403 0.000 0.724 340 A CB 1.143 20.375 19.000 0.387 0.000 1.267 340 A HN 0.756 nan 8.150 nan 0.000 0.418 341 N N 1.445 120.447 118.700 0.502 0.000 2.597 341 N HA 0.146 4.886 4.740 -0.000 0.000 0.269 341 N C -0.434 175.060 175.510 -0.026 0.000 1.204 341 N CA -0.060 52.947 53.050 -0.073 0.000 0.947 341 N CB 0.110 38.519 38.487 -0.130 0.000 1.258 341 N HN 0.613 nan 8.380 nan 0.000 0.508 342 K N 0.102 120.586 120.400 0.139 0.000 2.525 342 K HA 0.224 4.544 4.320 -0.000 0.000 0.254 342 K C -1.565 175.218 176.600 0.305 0.000 0.934 342 K CA -0.710 55.683 56.287 0.175 0.000 0.802 342 K CB 1.184 33.782 32.500 0.162 0.000 1.295 342 K HN -0.037 nan 8.250 nan 0.000 0.433 343 N N 3.936 122.776 118.700 0.233 0.000 2.448 343 N HA 0.092 4.832 4.740 -0.000 0.000 0.250 343 N C -1.406 174.224 175.510 0.200 0.000 1.136 343 N CA -0.047 53.125 53.050 0.203 0.000 0.953 343 N CB -0.134 38.441 38.487 0.146 0.000 1.251 343 N HN 0.459 nan 8.380 nan 0.000 0.502 344 Y N 1.623 121.967 120.300 0.073 0.000 2.534 344 Y HA 0.769 5.319 4.550 -0.000 0.000 0.329 344 Y C -2.555 173.364 175.900 0.032 0.000 1.154 344 Y CA -3.400 54.726 58.100 0.043 0.000 1.192 344 Y CB -0.400 38.079 38.460 0.032 0.000 1.275 344 Y HN 0.277 nan 8.280 nan 0.000 0.491 345 P HA 0.030 nan 4.420 nan 0.000 0.264 345 P C 0.154 177.338 177.300 -0.193 0.000 1.183 345 P CA 0.262 63.321 63.100 -0.068 0.000 0.763 345 P CB 0.717 32.424 31.700 0.011 0.000 0.807 346 N N 4.584 123.171 118.700 -0.189 0.000 2.037 346 N HA -0.163 4.577 4.740 -0.000 0.000 0.196 346 N C -0.862 174.542 175.510 -0.177 0.000 1.034 346 N CA 1.998 54.922 53.050 -0.210 0.000 0.861 346 N CB -1.949 36.447 38.487 -0.153 0.000 1.039 346 N HN 0.451 nan 8.380 nan 0.000 0.427 347 P HA -0.067 nan 4.420 nan 0.000 0.218 347 P C 1.095 178.369 177.300 -0.042 0.000 1.148 347 P CA 1.570 64.624 63.100 -0.077 0.000 0.822 347 P CB -0.084 31.585 31.700 -0.051 0.000 0.784 348 A N 0.001 122.823 122.820 0.003 0.000 1.902 348 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 348 A C 2.205 179.862 177.584 0.121 0.000 1.181 348 A CA 1.502 53.594 52.037 0.093 0.000 0.623 348 A CB -0.989 18.136 19.000 0.209 0.000 0.818 348 A HN 0.104 nan 8.150 nan 0.000 0.443 349 R N -0.629 119.894 120.500 0.039 0.000 2.070 349 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 349 R C 2.004 178.231 176.300 -0.122 0.000 1.137 349 R CA 1.632 57.725 56.100 -0.011 0.000 0.945 349 R CB -0.727 29.418 30.300 -0.258 0.000 0.845 349 R HN 0.389 nan 8.270 nan 0.000 0.430 350 V N 1.461 121.209 119.914 -0.277 0.000 2.427 350 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 350 V C 1.925 178.087 176.094 0.114 0.000 1.051 350 V CA 2.069 64.255 62.300 -0.190 0.000 1.048 350 V CB -0.593 31.134 31.823 -0.159 0.000 0.666 350 V HN 0.332 nan 8.190 nan 0.000 0.456 351 D N 0.728 121.171 120.400 0.071 0.000 2.104 351 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 351 D C 2.103 178.532 176.300 0.214 0.000 0.994 351 D CA 1.732 55.813 54.000 0.135 0.000 0.830 351 D CB -0.150 40.694 40.800 0.074 0.000 0.959 351 D HN 0.361 nan 8.370 nan 0.000 0.452 352 A N 0.381 123.305 122.820 0.173 0.000 1.902 352 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 352 A C 2.400 180.126 177.584 0.237 0.000 1.181 352 A CA 2.136 54.273 52.037 0.167 0.000 0.623 352 A CB -1.142 17.934 19.000 0.127 0.000 0.818 352 A HN 0.356 nan 8.150 nan 0.000 0.443 353 A N -1.772 121.253 122.820 0.342 0.000 1.902 353 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 353 A C 1.988 179.900 177.584 0.547 0.000 1.181 353 A CA 1.547 53.875 52.037 0.485 0.000 0.623 353 A CB -0.854 18.627 19.000 0.803 0.000 0.818 353 A HN 0.808 nan 8.150 nan 0.000 0.443 354 W N 0.679 122.207 121.300 0.380 0.000 2.388 354 W HA -0.149 4.511 4.660 -0.000 0.000 0.294 354 W C 2.290 178.938 176.519 0.215 0.000 1.212 354 W CA 1.756 59.278 57.345 0.295 0.000 1.271 354 W CB -0.019 29.466 29.460 0.043 0.000 1.126 354 W HN 0.326 nan 8.180 nan 0.000 0.535 355 Q N 0.214 120.152 119.800 0.229 0.000 2.096 355 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 355 Q C 2.202 178.174 176.000 -0.046 0.000 0.982 355 Q CA 2.161 57.995 55.803 0.051 0.000 0.850 355 Q CB -0.985 27.815 28.738 0.104 0.000 0.901 355 Q HN 0.459 nan 8.270 nan 0.000 0.422 356 I N 0.031 120.617 120.570 0.026 0.000 2.193 356 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 356 I C 2.272 178.376 176.117 -0.021 0.000 1.084 356 I CA 0.752 62.054 61.300 0.003 0.000 1.365 356 I CB -0.229 37.795 38.000 0.039 0.000 1.064 356 I HN 0.103 nan 8.210 nan 0.000 0.410 357 L N 0.296 121.532 121.223 0.022 0.000 2.093 357 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 357 L C 2.270 179.095 176.870 -0.076 0.000 1.085 357 L CA 1.275 56.124 54.840 0.015 0.000 0.755 357 L CB -0.781 41.353 42.059 0.125 0.000 0.904 357 L HN 0.332 nan 8.230 nan 0.000 0.435 358 N N 0.607 119.127 118.700 -0.300 0.000 2.166 358 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 358 N C 1.782 177.178 175.510 -0.190 0.000 1.019 358 N CA 1.466 54.274 53.050 -0.403 0.000 0.856 358 N CB 0.004 37.746 38.487 -1.242 0.000 0.993 358 N HN 0.267 nan 8.380 nan 0.000 0.426 359 A N -0.018 122.703 122.820 -0.165 0.000 1.972 359 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 359 A C 2.079 179.644 177.584 -0.031 0.000 1.169 359 A CA 0.976 52.964 52.037 -0.083 0.000 0.635 359 A CB -0.448 18.507 19.000 -0.076 0.000 0.810 359 A HN 0.366 nan 8.150 nan 0.000 0.446 360 L N -0.590 120.627 121.223 -0.009 0.000 2.513 360 L HA 0.060 4.400 4.340 -0.000 0.000 0.222 360 L C 1.252 178.208 176.870 0.144 0.000 1.096 360 L CA -0.132 54.750 54.840 0.069 0.000 0.857 360 L CB -0.293 41.812 42.059 0.076 0.000 1.026 360 L HN 0.577 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.842 119.800 0.071 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 361 Q CB 0.000 28.762 28.738 0.039 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481