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 2r9w_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL 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 0.000 177.357 177.584 -0.378 0.000 1.274 4 A CA 0.000 51.938 52.037 -0.165 0.000 0.836 4 A CB 0.000 18.917 19.000 -0.138 0.000 0.831 5 P HA -0.407 nan 4.420 nan 0.000 0.234 5 P C 1.455 178.649 177.300 -0.177 0.000 0.687 5 P CA 2.677 65.602 63.100 -0.291 0.000 1.135 5 P CB -0.216 31.344 31.700 -0.232 0.000 0.623 6 Q N -0.366 119.364 119.800 -0.116 0.000 2.124 6 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 6 Q C 2.287 178.234 176.000 -0.089 0.000 0.977 6 Q CA 2.517 58.276 55.803 -0.074 0.000 0.850 6 Q CB -0.305 28.403 28.738 -0.050 0.000 0.901 6 Q HN 0.653 nan 8.270 nan 0.000 0.429 7 Q N -0.696 119.022 119.800 -0.136 0.000 2.123 7 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 7 Q C 2.089 177.990 176.000 -0.165 0.000 0.966 7 Q CA 1.274 56.995 55.803 -0.136 0.000 0.845 7 Q CB -0.377 28.274 28.738 -0.146 0.000 0.907 7 Q HN 0.374 nan 8.270 nan 0.000 0.439 8 I N 1.643 122.063 120.570 -0.251 0.000 2.142 8 I HA -0.253 3.916 4.170 -0.000 0.000 0.240 8 I C 1.955 178.027 176.117 -0.076 0.000 1.078 8 I CA 1.074 62.242 61.300 -0.221 0.000 1.343 8 I CB -0.541 37.243 38.000 -0.360 0.000 1.046 8 I HN 0.276 nan 8.210 nan 0.000 0.405 9 N N 0.855 119.565 118.700 0.018 0.000 2.094 9 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 9 N C 1.528 177.073 175.510 0.058 0.000 1.023 9 N CA 1.918 55.048 53.050 0.133 0.000 0.857 9 N CB -0.578 37.990 38.487 0.135 0.000 1.013 9 N HN 0.414 nan 8.380 nan 0.000 0.426 10 D N 0.300 120.709 120.400 0.015 0.000 2.084 10 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 10 D C 1.892 178.209 176.300 0.029 0.000 0.990 10 D CA 0.574 54.594 54.000 0.033 0.000 0.826 10 D CB -0.165 40.637 40.800 0.004 0.000 0.971 10 D HN 0.095 nan 8.370 nan 0.000 0.453 11 I N -0.225 120.328 120.570 -0.027 0.000 2.315 11 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 11 I C 2.066 178.149 176.117 -0.056 0.000 1.117 11 I CA 0.795 62.072 61.300 -0.038 0.000 1.404 11 I CB -0.189 37.777 38.000 -0.056 0.000 1.071 11 I HN -0.007 nan 8.210 nan 0.000 0.419 12 V N 0.134 119.976 119.914 -0.120 0.000 2.307 12 V HA -0.327 3.793 4.120 -0.000 0.000 0.245 12 V C 2.515 178.576 176.094 -0.054 0.000 1.045 12 V CA 2.314 64.492 62.300 -0.204 0.000 1.024 12 V CB -1.065 30.349 31.823 -0.681 0.000 0.651 12 V HN 0.566 nan 8.190 nan 0.000 0.449 13 H N 0.684 119.732 119.070 -0.036 0.000 2.319 13 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 13 H C 2.438 177.773 175.328 0.011 0.000 1.092 13 H CA 1.998 58.093 56.048 0.078 0.000 1.302 13 H CB -0.045 29.782 29.762 0.107 0.000 1.373 13 H HN 0.240 nan 8.280 nan 0.000 0.497 14 R N -0.944 119.541 120.500 -0.026 0.000 2.189 14 R HA -0.032 4.308 4.340 -0.000 0.000 0.218 14 R C 1.788 178.020 176.300 -0.113 0.000 1.074 14 R CA 1.495 57.547 56.100 -0.080 0.000 0.991 14 R CB 0.132 30.439 30.300 0.012 0.000 0.883 14 R HN 0.391 nan 8.270 nan 0.000 0.457 15 T N 0.783 115.275 114.554 -0.103 0.000 2.925 15 T HA 0.082 4.432 4.350 -0.000 0.000 0.245 15 T C 1.803 176.404 174.700 -0.166 0.000 1.025 15 T CA 0.417 62.462 62.100 -0.092 0.000 1.149 15 T CB 0.159 69.003 68.868 -0.039 0.000 0.866 15 T HN -0.016 nan 8.240 nan 0.000 0.437 16 I N 2.685 123.109 120.570 -0.244 0.000 2.406 16 I HA -0.066 4.104 4.170 -0.000 0.000 0.249 16 I C 2.978 178.746 176.117 -0.582 0.000 1.122 16 I CA 1.484 62.531 61.300 -0.422 0.000 1.431 16 I CB -1.856 35.782 38.000 -0.603 0.000 1.087 16 I HN 0.416 nan 8.210 nan 0.000 0.424 17 T N 0.051 114.272 114.554 -0.555 0.000 2.746 17 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 17 T C -0.354 174.137 174.700 -0.349 0.000 1.039 17 T CA 0.972 62.760 62.100 -0.520 0.000 1.142 17 T CB -1.828 66.762 68.868 -0.463 0.000 0.866 17 T HN 0.133 nan 8.240 nan 0.000 0.444 18 P HA 0.079 nan 4.420 nan 0.000 0.219 18 P C 1.749 178.937 177.300 -0.187 0.000 1.150 18 P CA 0.294 63.282 63.100 -0.187 0.000 0.814 18 P CB -0.257 31.360 31.700 -0.137 0.000 0.787 19 L N -0.367 120.723 121.223 -0.222 0.000 2.012 19 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 19 L C 2.233 178.926 176.870 -0.294 0.000 1.073 19 L CA 1.852 56.553 54.840 -0.230 0.000 0.748 19 L CB -1.237 40.681 42.059 -0.236 0.000 0.891 19 L HN -0.151 nan 8.230 nan 0.000 0.431 20 I N -0.654 119.706 120.570 -0.350 0.000 2.226 20 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 20 I C 2.571 178.558 176.117 -0.218 0.000 1.100 20 I CA 1.712 62.818 61.300 -0.324 0.000 1.374 20 I CB -0.386 37.389 38.000 -0.374 0.000 1.057 20 I HN 0.453 nan 8.210 nan 0.000 0.413 21 E N 0.744 120.832 120.200 -0.187 0.000 2.031 21 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 21 E C 2.227 178.764 176.600 -0.105 0.000 0.994 21 E CA 1.356 57.683 56.400 -0.123 0.000 0.800 21 E CB -0.003 29.635 29.700 -0.104 0.000 0.752 21 E HN 0.483 nan 8.360 nan 0.000 0.447 22 Q N -0.375 119.358 119.800 -0.111 0.000 2.112 22 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 22 Q C 1.965 177.919 176.000 -0.077 0.000 0.987 22 Q CA 1.546 57.299 55.803 -0.083 0.000 0.858 22 Q CB 0.072 28.763 28.738 -0.077 0.000 0.905 22 Q HN 0.244 nan 8.270 nan 0.000 0.420 23 Q N -0.164 119.563 119.800 -0.122 0.000 2.319 23 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 23 Q C -0.405 175.541 176.000 -0.090 0.000 0.896 23 Q CA 0.102 55.841 55.803 -0.107 0.000 0.942 23 Q CB 0.776 29.374 28.738 -0.234 0.000 1.083 23 Q HN 0.282 nan 8.270 nan 0.000 0.510 24 K N 1.009 121.352 120.400 -0.095 0.000 3.257 24 K HA -0.179 4.141 4.320 -0.000 0.000 0.270 24 K C -0.541 176.018 176.600 -0.069 0.000 0.984 24 K CA 0.305 56.549 56.287 -0.071 0.000 0.739 24 K CB -1.889 30.587 32.500 -0.040 0.000 1.351 24 K HN 0.280 nan 8.250 nan 0.000 0.463 25 I N 1.036 121.539 120.570 -0.112 0.000 2.396 25 I HA 0.019 4.189 4.170 -0.000 0.000 0.289 25 I C -0.946 175.156 176.117 -0.025 0.000 1.056 25 I CA -2.072 59.182 61.300 -0.077 0.000 1.365 25 I CB 0.801 38.696 38.000 -0.174 0.000 1.407 25 I HN 0.027 nan 8.210 nan 0.000 0.509 26 P HA -0.017 nan 4.420 nan 0.000 0.216 26 P C 0.411 177.775 177.300 0.106 0.000 1.153 26 P CA 0.583 63.686 63.100 0.005 0.000 0.848 26 P CB 0.291 31.912 31.700 -0.131 0.000 0.787 27 G N -1.203 107.717 108.800 0.201 0.000 2.719 27 G HA2 0.675 4.635 3.960 -0.000 0.000 0.298 27 G HA3 0.675 4.635 3.960 -0.000 0.000 0.298 27 G C -1.874 173.284 174.900 0.429 0.000 1.411 27 G CA -0.358 44.934 45.100 0.320 0.000 0.991 27 G HN 0.038 nan 8.290 nan 0.000 0.509 28 M N 1.419 121.305 119.600 0.477 0.000 2.413 28 M HA 0.729 5.209 4.480 -0.000 0.000 0.287 28 M C -1.361 175.268 176.300 0.548 0.000 1.186 28 M CA -0.525 55.040 55.300 0.442 0.000 0.927 28 M CB 2.340 35.108 32.600 0.280 0.000 1.715 28 M HN 0.968 nan 8.290 nan 0.000 0.478 29 A N 3.366 126.377 122.820 0.319 0.000 2.393 29 A HA 0.872 5.192 4.320 -0.000 0.000 0.306 29 A C -1.765 176.014 177.584 0.325 0.000 1.050 29 A CA -0.618 51.617 52.037 0.330 0.000 0.724 29 A CB 1.746 20.888 19.000 0.236 0.000 1.248 29 A HN 0.618 nan 8.150 nan 0.000 0.424 30 V N 0.901 121.101 119.914 0.476 0.000 2.709 30 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 30 V C 0.087 176.476 176.094 0.492 0.000 1.062 30 V CA -0.218 62.361 62.300 0.466 0.000 0.901 30 V CB 1.853 34.002 31.823 0.542 0.000 1.003 30 V HN 1.440 nan 8.190 nan 0.000 0.425 31 A N 3.837 126.878 122.820 0.368 0.000 2.356 31 A HA 0.882 5.202 4.320 -0.000 0.000 0.310 31 A C -1.130 176.582 177.584 0.214 0.000 1.075 31 A CA -0.558 51.636 52.037 0.260 0.000 0.746 31 A CB 1.804 20.913 19.000 0.181 0.000 1.221 31 A HN 0.662 nan 8.150 nan 0.000 0.443 32 V N 4.132 124.185 119.914 0.232 0.000 2.417 32 V HA 0.333 4.453 4.120 -0.000 0.000 0.291 32 V C -0.490 175.720 176.094 0.194 0.000 1.024 32 V CA -0.524 61.907 62.300 0.217 0.000 0.861 32 V CB 1.417 33.395 31.823 0.257 0.000 0.985 32 V HN 0.708 nan 8.190 nan 0.000 0.436 33 I N 5.560 126.202 120.570 0.120 0.000 2.297 33 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 33 I C -0.650 175.575 176.117 0.180 0.000 1.033 33 I CA -0.347 61.003 61.300 0.084 0.000 1.253 33 I CB 0.573 38.554 38.000 -0.031 0.000 1.396 33 I HN 0.658 nan 8.210 nan 0.000 0.476 34 Y N 5.956 126.340 120.300 0.139 0.000 2.361 34 Y HA 0.284 4.834 4.550 0.000 0.000 0.337 34 Y C 0.500 176.457 175.900 0.095 0.000 0.965 34 Y CA -0.587 57.579 58.100 0.110 0.000 1.091 34 Y CB 1.208 39.742 38.460 0.123 0.000 1.182 34 Y HN 0.665 nan 8.280 nan 0.000 0.450 35 Q N 4.635 124.162 119.800 -0.455 0.000 2.434 35 Q HA -0.271 4.069 4.340 -0.000 0.000 0.299 35 Q C 1.108 177.022 176.000 -0.142 0.000 1.286 35 Q CA 1.164 56.766 55.803 -0.334 0.000 0.872 35 Q CB -1.617 26.902 28.738 -0.365 0.000 1.193 35 Q HN 1.376 nan 8.270 nan 0.000 0.466 36 G N -0.677 108.051 108.800 -0.119 0.000 2.184 36 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.264 36 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.264 36 G C 0.033 174.882 174.900 -0.085 0.000 0.975 36 G CA 0.866 45.904 45.100 -0.103 0.000 0.642 36 G HN 0.346 nan 8.290 nan 0.000 0.536 37 K N 1.313 121.681 120.400 -0.053 0.000 2.207 37 K HA 0.566 4.886 4.320 -0.000 0.000 0.255 37 K C -2.696 173.736 176.600 -0.281 0.000 0.941 37 K CA -2.048 54.150 56.287 -0.148 0.000 0.825 37 K CB 2.860 35.274 32.500 -0.142 0.000 1.119 37 K HN 0.066 nan 8.250 nan 0.000 0.430 38 P HA 0.216 nan 4.420 nan 0.000 0.286 38 P C -1.490 175.205 177.300 -1.008 0.000 1.261 38 P CA -0.438 62.310 63.100 -0.588 0.000 0.821 38 P CB 0.599 31.962 31.700 -0.562 0.000 1.013 39 Y N 1.048 121.063 120.300 -0.475 0.000 2.373 39 Y HA 0.445 4.995 4.550 -0.000 0.000 0.336 39 Y C -0.220 175.389 175.900 -0.485 0.000 0.979 39 Y CA -0.519 57.350 58.100 -0.385 0.000 1.080 39 Y CB 1.829 40.249 38.460 -0.066 0.000 1.190 39 Y HN 0.277 nan 8.280 nan 0.000 0.446 40 Y N 2.672 122.808 120.300 -0.274 0.000 2.468 40 Y HA 0.712 5.262 4.550 -0.000 0.000 0.342 40 Y C -1.029 174.445 175.900 -0.710 0.000 1.021 40 Y CA -1.620 56.330 58.100 -0.250 0.000 1.079 40 Y CB 1.493 39.865 38.460 -0.147 0.000 1.226 40 Y HN 0.386 nan 8.280 nan 0.000 0.460 41 F N 0.160 120.171 119.950 0.102 0.000 2.581 41 F HA 0.568 5.095 4.527 -0.000 0.000 0.311 41 F C -0.126 175.441 175.800 -0.389 0.000 1.113 41 F CA -0.823 57.012 58.000 -0.275 0.000 0.935 41 F CB 2.413 41.225 39.000 -0.312 0.000 1.232 41 F HN 0.281 nan 8.300 nan 0.000 0.445 42 T N 2.826 117.089 114.554 -0.486 0.000 2.900 42 T HA 0.637 4.987 4.350 -0.000 0.000 0.295 42 T C -1.886 172.575 174.700 -0.398 0.000 1.044 42 T CA -0.392 61.582 62.100 -0.210 0.000 0.995 42 T CB 1.043 69.894 68.868 -0.027 0.000 1.072 42 T HN 0.535 nan 8.240 nan 0.000 0.473 43 W N 2.176 123.562 121.300 0.142 0.000 3.127 43 W HA 0.491 5.151 4.660 -0.000 0.000 0.330 43 W C 0.609 177.142 176.519 0.024 0.000 1.187 43 W CA -0.277 57.109 57.345 0.069 0.000 1.198 43 W CB 1.365 30.862 29.460 0.061 0.000 1.408 43 W HN 1.236 nan 8.180 nan 0.000 0.529 44 G N 1.367 110.230 108.800 0.104 0.000 2.593 44 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.237 44 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.237 44 G C -1.683 173.104 174.900 -0.187 0.000 1.312 44 G CA -0.510 44.517 45.100 -0.122 0.000 0.896 44 G HN 0.530 nan 8.290 nan 0.000 0.574 45 Y N 0.413 120.796 120.300 0.138 0.000 2.352 45 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 45 Y C 1.411 177.409 175.900 0.165 0.000 0.992 45 Y CA -0.231 57.941 58.100 0.120 0.000 1.100 45 Y CB 1.959 40.456 38.460 0.061 0.000 1.192 45 Y HN 0.840 nan 8.280 nan 0.000 0.458 46 A N 1.318 124.342 122.820 0.340 0.000 1.968 46 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 46 A C 0.372 178.174 177.584 0.363 0.000 1.169 46 A CA 1.428 53.619 52.037 0.257 0.000 0.638 46 A CB 0.017 19.101 19.000 0.140 0.000 0.812 46 A HN 0.676 nan 8.150 nan 0.000 0.446 47 D N -1.120 119.487 120.400 0.346 0.000 2.476 47 D HA 0.416 5.056 4.640 -0.000 0.000 0.251 47 D C 0.626 176.997 176.300 0.119 0.000 1.291 47 D CA -0.442 53.765 54.000 0.345 0.000 0.939 47 D CB 0.844 41.825 40.800 0.302 0.000 1.221 47 D HN 0.147 nan 8.370 nan 0.000 0.567 48 I N 2.251 122.874 120.570 0.090 0.000 2.179 48 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 48 I C 2.416 178.391 176.117 -0.237 0.000 1.088 48 I CA 1.172 62.370 61.300 -0.171 0.000 1.357 48 I CB -0.001 37.842 38.000 -0.262 0.000 1.051 48 I HN 0.433 nan 8.210 nan 0.000 0.409 49 A N 0.650 123.395 122.820 -0.124 0.000 1.898 49 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 49 A C 2.220 179.722 177.584 -0.138 0.000 1.181 49 A CA 1.442 53.399 52.037 -0.132 0.000 0.620 49 A CB -0.363 18.564 19.000 -0.121 0.000 0.819 49 A HN 0.321 nan 8.150 nan 0.000 0.442 50 K N -0.612 119.723 120.400 -0.108 0.000 2.459 50 K HA 0.052 4.372 4.320 -0.000 0.000 0.193 50 K C -0.319 176.191 176.600 -0.149 0.000 1.030 50 K CA 0.233 56.471 56.287 -0.082 0.000 1.026 50 K CB 0.031 32.530 32.500 -0.002 0.000 0.809 50 K HN 0.393 nan 8.250 nan 0.000 0.504 51 K N 1.617 121.807 120.400 -0.350 0.000 3.156 51 K HA -0.210 4.110 4.320 -0.000 0.000 0.266 51 K C -0.353 176.140 176.600 -0.179 0.000 0.966 51 K CA 0.347 56.222 56.287 -0.687 0.000 0.719 51 K CB -1.036 31.190 32.500 -0.457 0.000 1.333 51 K HN 0.135 nan 8.250 nan 0.000 0.468 52 Q N 1.096 120.899 119.800 0.005 0.000 2.322 52 Q HA 0.204 4.544 4.340 -0.000 0.000 0.256 52 Q C -2.346 173.882 176.000 0.381 0.000 0.960 52 Q CA -2.268 53.645 55.803 0.183 0.000 0.934 52 Q CB 0.947 29.771 28.738 0.143 0.000 1.200 52 Q HN 0.034 nan 8.270 nan 0.000 0.435 53 P HA -0.032 nan 4.420 nan 0.000 0.272 53 P C -0.604 176.810 177.300 0.190 0.000 1.223 53 P CA -0.206 63.047 63.100 0.255 0.000 0.784 53 P CB 0.720 32.504 31.700 0.140 0.000 0.923 54 V N 2.720 122.743 119.914 0.181 0.000 2.585 54 V HA 0.174 4.294 4.120 -0.000 0.000 0.296 54 V C 1.325 177.502 176.094 0.140 0.000 1.035 54 V CA 0.796 63.215 62.300 0.198 0.000 1.084 54 V CB 0.118 32.138 31.823 0.328 0.000 0.953 54 V HN 0.869 nan 8.190 nan 0.000 0.483 55 T N 1.838 116.462 114.554 0.117 0.000 2.773 55 T HA 0.316 4.666 4.350 -0.000 0.000 0.278 55 T C 0.652 175.385 174.700 0.054 0.000 1.011 55 T CA -0.753 61.380 62.100 0.055 0.000 1.014 55 T CB 1.587 70.463 68.868 0.014 0.000 1.293 55 T HN 0.322 nan 8.240 nan 0.000 0.554 56 Q N -0.006 119.768 119.800 -0.043 0.000 2.197 56 Q HA -0.103 4.237 4.340 -0.000 0.000 0.207 56 Q C 1.817 177.755 176.000 -0.104 0.000 0.984 56 Q CA 1.624 57.350 55.803 -0.128 0.000 0.869 56 Q CB -0.292 28.306 28.738 -0.234 0.000 0.906 56 Q HN 0.622 nan 8.270 nan 0.000 0.426 57 Q N -0.214 119.531 119.800 -0.091 0.000 2.319 57 Q HA 0.096 4.436 4.340 -0.000 0.000 0.202 57 Q C 0.002 175.977 176.000 -0.042 0.000 0.896 57 Q CA 0.117 55.840 55.803 -0.134 0.000 0.942 57 Q CB 0.480 29.113 28.738 -0.175 0.000 1.083 57 Q HN 0.230 nan 8.270 nan 0.000 0.510 58 T N 2.057 116.629 114.554 0.032 0.000 2.853 58 T HA 0.188 4.538 4.350 -0.000 0.000 0.298 58 T C 0.134 174.857 174.700 0.039 0.000 0.978 58 T CA -0.083 62.023 62.100 0.009 0.000 1.152 58 T CB 0.381 69.235 68.868 -0.024 0.000 0.914 58 T HN -0.016 nan 8.240 nan 0.000 0.539 59 L N 4.422 125.630 121.223 -0.025 0.000 2.290 59 L HA 0.468 4.808 4.340 -0.000 0.000 0.284 59 L C -0.325 176.512 176.870 -0.054 0.000 1.078 59 L CA 0.014 54.854 54.840 -0.001 0.000 0.815 59 L CB 0.204 42.190 42.059 -0.121 0.000 1.162 59 L HN 0.528 nan 8.230 nan 0.000 0.435 60 F N 0.738 120.720 119.950 0.054 0.000 2.492 60 F HA 0.392 4.919 4.527 -0.000 0.000 0.327 60 F C 0.602 176.189 175.800 -0.356 0.000 1.079 60 F CA -0.925 57.065 58.000 -0.016 0.000 0.967 60 F CB 1.157 40.285 39.000 0.213 0.000 1.169 60 F HN 0.411 nan 8.300 nan 0.000 0.472 61 E N 3.059 122.775 120.200 -0.806 0.000 2.299 61 E HA 0.087 4.437 4.350 -0.000 0.000 0.272 61 E C 0.586 177.099 176.600 -0.144 0.000 1.043 61 E CA 0.012 56.093 56.400 -0.532 0.000 0.895 61 E CB 0.668 29.961 29.700 -0.678 0.000 1.011 61 E HN 0.633 nan 8.360 nan 0.000 0.432 62 L N 3.002 124.219 121.223 -0.010 0.000 2.313 62 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 62 L C 1.528 178.490 176.870 0.154 0.000 1.119 62 L CA 0.583 55.488 54.840 0.108 0.000 0.809 62 L CB -0.891 41.238 42.059 0.116 0.000 0.933 62 L HN 0.919 nan 8.230 nan 0.000 0.449 63 G N 0.424 109.314 108.800 0.149 0.000 2.611 63 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.301 63 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.301 63 G C 0.873 175.917 174.900 0.240 0.000 1.233 63 G CA 0.467 45.691 45.100 0.206 0.000 0.993 63 G HN 0.227 nan 8.290 nan 0.000 0.553 64 S N -0.005 115.836 115.700 0.236 0.000 2.507 64 S HA 0.068 4.538 4.470 -0.000 0.000 0.235 64 S C 2.382 177.115 174.600 0.223 0.000 0.988 64 S CA 1.232 59.591 58.200 0.264 0.000 0.944 64 S CB -0.046 63.345 63.200 0.319 0.000 0.762 64 S HN 0.709 nan 8.310 nan 0.000 0.526 65 V N 1.796 121.828 119.914 0.197 0.000 2.688 65 V HA -0.169 3.951 4.120 -0.000 0.000 0.256 65 V C 2.197 178.409 176.094 0.197 0.000 1.084 65 V CA 1.515 63.914 62.300 0.166 0.000 1.103 65 V CB -0.940 31.002 31.823 0.198 0.000 0.688 65 V HN 0.459 nan 8.190 nan 0.000 0.480 66 S N -0.113 115.730 115.700 0.238 0.000 2.392 66 S HA -0.300 4.170 4.470 -0.000 0.000 0.232 66 S C 1.919 176.680 174.600 0.268 0.000 1.041 66 S CA 1.649 60.019 58.200 0.283 0.000 1.026 66 S CB -0.341 62.963 63.200 0.173 0.000 0.845 66 S HN 0.654 nan 8.310 nan 0.000 0.465 67 K N 0.745 121.256 120.400 0.185 0.000 2.211 67 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 67 K C 2.486 179.115 176.600 0.048 0.000 1.047 67 K CA 1.621 57.996 56.287 0.146 0.000 0.935 67 K CB -0.573 32.030 32.500 0.172 0.000 0.728 67 K HN 0.673 nan 8.250 nan 0.000 0.452 68 T N -1.015 113.471 114.554 -0.113 0.000 2.821 68 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 68 T C 1.776 176.478 174.700 0.003 0.000 1.046 68 T CA 0.911 62.763 62.100 -0.414 0.000 1.139 68 T CB -0.419 67.829 68.868 -1.032 0.000 0.871 68 T HN 0.035 nan 8.240 nan 0.000 0.454 69 F N 2.190 122.190 119.950 0.084 0.000 2.146 69 F HA 0.027 4.554 4.527 0.000 0.000 0.298 69 F C 3.051 178.907 175.800 0.093 0.000 1.096 69 F CA 1.425 59.432 58.000 0.011 0.000 1.275 69 F CB -1.206 37.683 39.000 -0.185 0.000 1.008 69 F HN 0.136 nan 8.300 nan 0.000 0.480 70 T N -0.501 114.247 114.554 0.323 0.000 2.720 70 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 70 T C 2.367 177.251 174.700 0.307 0.000 1.037 70 T CA 1.460 63.759 62.100 0.331 0.000 1.144 70 T CB -1.083 67.981 68.868 0.327 0.000 0.864 70 T HN 0.448 nan 8.240 nan 0.000 0.444 71 G N 0.911 109.861 108.800 0.250 0.000 2.418 71 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 71 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 71 G C 1.701 176.758 174.900 0.262 0.000 1.158 71 G CA 0.826 46.071 45.100 0.242 0.000 0.771 71 G HN 0.440 nan 8.290 nan 0.000 0.545 72 V N 0.542 120.621 119.914 0.275 0.000 2.427 72 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 72 V C 2.664 178.876 176.094 0.197 0.000 1.051 72 V CA 1.492 63.962 62.300 0.283 0.000 1.048 72 V CB -0.313 31.774 31.823 0.440 0.000 0.666 72 V HN 0.342 nan 8.190 nan 0.000 0.456 73 L N 1.323 122.636 121.223 0.151 0.000 2.046 73 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 73 L C 2.353 179.231 176.870 0.013 0.000 1.077 73 L CA 2.418 57.266 54.840 0.013 0.000 0.747 73 L CB -1.282 40.701 42.059 -0.127 0.000 0.896 73 L HN 0.272 nan 8.230 nan 0.000 0.432 74 G N -1.085 107.775 108.800 0.100 0.000 2.446 74 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 74 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 74 G C 1.533 176.528 174.900 0.159 0.000 1.168 74 G CA 0.621 45.800 45.100 0.131 0.000 0.771 74 G HN 0.594 nan 8.290 nan 0.000 0.551 75 G N 0.604 109.513 108.800 0.182 0.000 2.440 75 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.218 75 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.218 75 G C 1.455 176.409 174.900 0.090 0.000 1.154 75 G CA 1.404 46.592 45.100 0.146 0.000 0.767 75 G HN 0.521 nan 8.290 nan 0.000 0.552 76 D N 0.470 120.911 120.400 0.068 0.000 2.144 76 D HA 0.044 4.683 4.640 -0.000 0.000 0.199 76 D C 2.652 178.954 176.300 0.003 0.000 0.984 76 D CA 1.422 55.440 54.000 0.030 0.000 0.834 76 D CB -0.256 40.552 40.800 0.014 0.000 0.955 76 D HN 0.246 nan 8.370 nan 0.000 0.465 77 A N 0.025 122.835 122.820 -0.016 0.000 1.930 77 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 77 A C 2.302 179.879 177.584 -0.012 0.000 1.175 77 A CA 1.076 53.087 52.037 -0.043 0.000 0.627 77 A CB -0.750 18.188 19.000 -0.104 0.000 0.815 77 A HN 0.386 nan 8.150 nan 0.000 0.443 78 I N -0.108 120.475 120.570 0.022 0.000 2.179 78 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 78 I C 2.948 179.087 176.117 0.037 0.000 1.088 78 I CA 1.156 62.482 61.300 0.043 0.000 1.357 78 I CB -0.374 37.672 38.000 0.077 0.000 1.051 78 I HN 0.331 nan 8.210 nan 0.000 0.409 79 A N 0.686 123.528 122.820 0.035 0.000 1.978 79 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 79 A C 2.340 179.932 177.584 0.015 0.000 1.170 79 A CA 1.486 53.539 52.037 0.026 0.000 0.636 79 A CB -0.587 18.429 19.000 0.026 0.000 0.810 79 A HN 0.353 nan 8.150 nan 0.000 0.448 80 R N -1.573 118.931 120.500 0.007 0.000 2.276 80 R HA 0.127 4.467 4.340 -0.000 0.000 0.203 80 R C 1.349 177.652 176.300 0.006 0.000 1.017 80 R CA 0.554 56.654 56.100 -0.001 0.000 1.010 80 R CB -0.194 30.097 30.300 -0.015 0.000 0.900 80 R HN 0.712 nan 8.270 nan 0.000 0.469 81 G N 1.021 109.831 108.800 0.016 0.000 2.143 81 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.248 81 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.248 81 G C 0.495 175.415 174.900 0.033 0.000 0.991 81 G CA 0.581 45.697 45.100 0.026 0.000 0.689 81 G HN 0.447 nan 8.290 nan 0.000 0.522 82 E N -0.635 119.578 120.200 0.021 0.000 2.170 82 E HA 0.249 4.599 4.350 -0.000 0.000 0.191 82 E C 1.535 178.170 176.600 0.059 0.000 0.981 82 E CA 1.126 57.541 56.400 0.025 0.000 0.830 82 E CB 0.196 29.886 29.700 -0.017 0.000 0.775 82 E HN 0.910 nan 8.360 nan 0.000 0.470 83 I N -2.617 117.969 120.570 0.027 0.000 3.074 83 I HA 0.492 4.662 4.170 -0.000 0.000 0.310 83 I C -1.362 174.808 176.117 0.088 0.000 1.153 83 I CA -1.235 60.086 61.300 0.035 0.000 0.993 83 I CB 2.309 40.171 38.000 -0.229 0.000 1.237 83 I HN -0.352 nan 8.210 nan 0.000 0.443 84 K N 2.933 123.426 120.400 0.155 0.000 2.427 84 K HA 0.487 4.807 4.320 -0.000 0.000 0.252 84 K C 0.076 176.757 176.600 0.136 0.000 0.931 84 K CA -0.776 55.589 56.287 0.130 0.000 0.793 84 K CB 2.901 35.479 32.500 0.130 0.000 1.211 84 K HN 0.625 nan 8.250 nan 0.000 0.426 85 L N 1.006 122.285 121.223 0.094 0.000 2.265 85 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 85 L C 2.022 178.921 176.870 0.048 0.000 1.117 85 L CA 1.362 56.236 54.840 0.056 0.000 0.782 85 L CB -0.331 41.710 42.059 -0.030 0.000 0.914 85 L HN 0.712 nan 8.230 nan 0.000 0.441 86 S N -2.571 113.169 115.700 0.066 0.000 2.522 86 S HA -0.017 4.453 4.470 -0.000 0.000 0.227 86 S C 0.605 175.267 174.600 0.103 0.000 0.986 86 S CA -0.173 58.063 58.200 0.060 0.000 0.929 86 S CB -0.369 62.864 63.200 0.055 0.000 0.769 86 S HN 0.231 nan 8.310 nan 0.000 0.529 87 D N 4.193 124.692 120.400 0.164 0.000 2.382 87 D HA 0.286 4.926 4.640 -0.000 0.000 0.245 87 D C -2.449 173.988 176.300 0.228 0.000 1.120 87 D CA -1.589 52.535 54.000 0.207 0.000 0.890 87 D CB 0.756 41.771 40.800 0.358 0.000 1.201 87 D HN 0.188 nan 8.370 nan 0.000 0.433 88 P HA 0.006 nan 4.420 nan 0.000 0.268 88 P C 0.700 178.147 177.300 0.246 0.000 1.205 88 P CA -0.134 63.084 63.100 0.197 0.000 0.771 88 P CB 0.583 32.364 31.700 0.135 0.000 0.858 89 T N 1.204 115.938 114.554 0.299 0.000 2.699 89 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 89 T C 1.746 176.572 174.700 0.209 0.000 1.036 89 T CA 2.625 64.903 62.100 0.297 0.000 1.147 89 T CB -1.097 67.948 68.868 0.294 0.000 0.862 89 T HN 0.667 nan 8.240 nan 0.000 0.446 90 T N 0.508 115.138 114.554 0.125 0.000 2.929 90 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 90 T C 1.790 176.487 174.700 -0.006 0.000 1.085 90 T CA 1.337 63.458 62.100 0.036 0.000 1.125 90 T CB -0.291 68.595 68.868 0.030 0.000 0.874 90 T HN 0.437 nan 8.240 nan 0.000 0.494 91 K N 0.284 120.630 120.400 -0.089 0.000 2.097 91 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 91 K C 1.307 177.657 176.600 -0.417 0.000 1.049 91 K CA 1.368 57.450 56.287 -0.341 0.000 0.933 91 K CB -0.223 31.905 32.500 -0.619 0.000 0.717 91 K HN 0.591 nan 8.250 nan 0.000 0.442 92 Y N -2.575 117.763 120.300 0.062 0.000 2.449 92 Y HA 0.109 4.659 4.550 -0.000 0.000 0.254 92 Y C 0.213 176.172 175.900 0.097 0.000 1.140 92 Y CA -0.615 57.510 58.100 0.040 0.000 1.272 92 Y CB 0.535 38.992 38.460 -0.006 0.000 1.114 92 Y HN 0.132 nan 8.280 nan 0.000 0.525 93 W N 2.330 123.622 121.300 -0.015 0.000 1.949 93 W HA 0.406 5.066 4.660 -0.000 0.000 0.299 93 W C -2.558 173.904 176.519 -0.094 0.000 0.959 93 W CA -3.689 53.611 57.345 -0.075 0.000 1.665 93 W CB 0.893 30.264 29.460 -0.148 0.000 1.829 93 W HN -0.112 nan 8.180 nan 0.000 0.375 94 P HA -0.222 nan 4.420 nan 0.000 0.217 94 P C 1.062 178.320 177.300 -0.070 0.000 1.148 94 P CA 1.999 65.106 63.100 0.013 0.000 0.828 94 P CB 0.489 32.207 31.700 0.030 0.000 0.783 95 E N -1.091 119.058 120.200 -0.085 0.000 2.409 95 E HA -0.061 4.289 4.350 -0.000 0.000 0.198 95 E C 0.635 176.968 176.600 -0.444 0.000 1.024 95 E CA 0.258 56.540 56.400 -0.196 0.000 0.861 95 E CB -0.710 28.945 29.700 -0.076 0.000 0.788 95 E HN 0.142 nan 8.360 nan 0.000 0.521 96 L N 1.745 122.551 121.223 -0.695 0.000 2.395 96 L HA 0.106 4.446 4.340 -0.000 0.000 0.268 96 L C 0.717 177.356 176.870 -0.384 0.000 1.223 96 L CA 0.416 54.781 54.840 -0.792 0.000 1.093 96 L CB -0.197 41.148 42.059 -1.189 0.000 1.349 96 L HN 0.043 nan 8.230 nan 0.000 0.427 97 T N -0.323 114.094 114.554 -0.228 0.000 3.040 97 T HA 0.388 4.738 4.350 -0.000 0.000 0.250 97 T C 0.887 175.594 174.700 0.011 0.000 1.058 97 T CA 0.223 62.275 62.100 -0.081 0.000 0.988 97 T CB 0.048 68.875 68.868 -0.068 0.000 0.993 97 T HN 0.519 nan 8.240 nan 0.000 0.519 98 A N 2.686 125.539 122.820 0.056 0.000 2.498 98 A HA 0.334 4.654 4.320 -0.000 0.000 0.239 98 A C 1.632 179.334 177.584 0.196 0.000 1.068 98 A CA -0.189 51.931 52.037 0.138 0.000 0.766 98 A CB 0.305 19.425 19.000 0.200 0.000 1.003 98 A HN 0.616 nan 8.150 nan 0.000 0.497 99 K N 1.592 122.052 120.400 0.099 0.000 2.209 99 K HA -0.204 4.116 4.320 -0.000 0.000 0.204 99 K C 1.384 178.016 176.600 0.053 0.000 1.048 99 K CA 1.461 57.788 56.287 0.068 0.000 0.940 99 K CB -0.066 32.445 32.500 0.019 0.000 0.729 99 K HN 0.804 nan 8.250 nan 0.000 0.451 100 Q N 0.425 120.224 119.800 -0.001 0.000 2.437 100 Q HA -0.153 4.187 4.340 -0.000 0.000 0.210 100 Q C 0.802 176.683 176.000 -0.198 0.000 0.972 100 Q CA 1.085 56.789 55.803 -0.165 0.000 0.903 100 Q CB -0.457 28.066 28.738 -0.358 0.000 0.967 100 Q HN 0.584 nan 8.270 nan 0.000 0.486 101 W N 1.978 123.324 121.300 0.077 0.000 3.047 101 W HA 0.127 4.787 4.660 -0.000 0.000 0.250 101 W C 0.513 177.093 176.519 0.101 0.000 1.314 101 W CA -0.257 57.161 57.345 0.121 0.000 1.540 101 W CB -0.051 29.461 29.460 0.087 0.000 1.127 101 W HN 0.153 nan 8.180 nan 0.000 0.679 102 N N 0.666 119.491 118.700 0.208 0.000 2.411 102 N HA 0.204 4.944 4.740 -0.000 0.000 0.265 102 N C 1.137 176.734 175.510 0.144 0.000 1.266 102 N CA 1.880 55.023 53.050 0.155 0.000 0.889 102 N CB 0.520 39.063 38.487 0.094 0.000 1.069 102 N HN 0.227 nan 8.380 nan 0.000 0.476 103 G N 3.059 111.966 108.800 0.178 0.000 2.179 103 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 103 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 103 G C 0.146 175.223 174.900 0.296 0.000 0.977 103 G CA 0.217 45.437 45.100 0.201 0.000 0.641 103 G HN 0.601 nan 8.290 nan 0.000 0.533 104 I N 2.824 123.588 120.570 0.323 0.000 2.312 104 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 104 I C 1.206 177.617 176.117 0.490 0.000 1.031 104 I CA 0.177 61.747 61.300 0.450 0.000 1.293 104 I CB 0.955 39.167 38.000 0.352 0.000 1.403 104 I HN 0.298 nan 8.210 nan 0.000 0.484 105 T N 3.010 117.871 114.554 0.511 0.000 2.936 105 T HA 0.444 4.794 4.350 -0.000 0.000 0.282 105 T C 1.256 176.084 174.700 0.213 0.000 1.003 105 T CA -0.878 61.366 62.100 0.240 0.000 1.005 105 T CB 1.541 70.425 68.868 0.026 0.000 1.097 105 T HN 0.417 nan 8.240 nan 0.000 0.532 106 L N 0.315 121.659 121.223 0.202 0.000 2.079 106 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 106 L C 2.552 179.428 176.870 0.011 0.000 1.081 106 L CA 0.942 55.911 54.840 0.215 0.000 0.752 106 L CB -0.810 41.414 42.059 0.274 0.000 0.896 106 L HN 0.600 nan 8.230 nan 0.000 0.433 107 L N -0.241 120.929 121.223 -0.089 0.000 2.013 107 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 107 L C 2.408 179.220 176.870 -0.096 0.000 1.073 107 L CA 2.011 56.727 54.840 -0.208 0.000 0.753 107 L CB -0.665 41.274 42.059 -0.201 0.000 0.890 107 L HN 0.240 nan 8.230 nan 0.000 0.432 108 H N -1.171 117.958 119.070 0.099 0.000 2.319 108 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 108 H C 2.254 177.578 175.328 -0.006 0.000 1.092 108 H CA 1.688 57.789 56.048 0.087 0.000 1.302 108 H CB -0.170 29.669 29.762 0.130 0.000 1.373 108 H HN 0.316 nan 8.280 nan 0.000 0.497 109 L N 0.120 121.427 121.223 0.140 0.000 2.046 109 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 109 L C 2.827 179.612 176.870 -0.141 0.000 1.077 109 L CA 0.891 55.777 54.840 0.076 0.000 0.747 109 L CB -0.518 41.654 42.059 0.187 0.000 0.896 109 L HN 0.360 nan 8.230 nan 0.000 0.432 110 A N -0.255 122.308 122.820 -0.427 0.000 1.969 110 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 110 A C 2.092 179.252 177.584 -0.707 0.000 1.169 110 A CA 2.031 53.566 52.037 -0.837 0.000 0.635 110 A CB -0.636 17.504 19.000 -1.434 0.000 0.810 110 A HN 0.521 nan 8.150 nan 0.000 0.445 111 T N -6.397 107.845 114.554 -0.520 0.000 3.129 111 T HA 0.331 4.681 4.350 -0.000 0.000 0.267 111 T C 0.185 174.626 174.700 -0.432 0.000 1.018 111 T CA 0.198 62.005 62.100 -0.489 0.000 0.903 111 T CB -0.510 68.370 68.868 0.019 0.000 1.067 111 T HN 0.681 nan 8.240 nan 0.000 0.549 112 Y N 0.854 121.126 120.300 -0.048 0.000 4.272 112 Y HA -0.255 4.295 4.550 0.000 0.000 0.232 112 Y C 1.219 177.071 175.900 -0.080 0.000 1.149 112 Y CA 0.499 58.569 58.100 -0.049 0.000 1.961 112 Y CB -3.163 35.274 38.460 -0.038 0.000 1.611 112 Y HN 0.607 nan 8.280 nan 0.000 0.682 113 T N -4.430 110.106 114.554 -0.031 0.000 3.174 113 T HA 0.681 5.031 4.350 -0.000 0.000 0.269 113 T C 1.483 176.130 174.700 -0.089 0.000 1.017 113 T CA 0.192 62.188 62.100 -0.174 0.000 0.899 113 T CB 0.554 69.074 68.868 -0.580 0.000 1.077 113 T HN 0.500 nan 8.240 nan 0.000 0.552 114 A N 1.381 124.219 122.820 0.030 0.000 2.119 114 A HA 0.558 4.878 4.320 -0.000 0.000 0.217 114 A C 1.885 179.534 177.584 0.108 0.000 1.153 114 A CA 0.642 52.691 52.037 0.020 0.000 0.692 114 A CB -0.838 18.177 19.000 0.025 0.000 0.799 114 A HN 1.491 nan 8.150 nan 0.000 0.458 115 G N -2.972 105.965 108.800 0.229 0.000 2.247 115 G HA2 0.401 4.361 3.960 -0.000 0.000 0.111 115 G HA3 0.401 4.361 3.960 -0.000 0.000 0.111 115 G C 0.984 176.223 174.900 0.564 0.000 1.045 115 G CA 0.320 45.663 45.100 0.406 0.000 0.715 115 G HN 2.005 nan 8.290 nan 0.000 0.485 116 G N -0.894 108.260 108.800 0.591 0.000 2.167 116 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.194 116 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.194 116 G C 0.444 175.623 174.900 0.465 0.000 1.027 116 G CA -0.001 45.406 45.100 0.512 0.000 0.717 116 G HN 1.302 nan 8.290 nan 0.000 0.501 117 L N 1.594 122.939 121.223 0.204 0.000 2.514 117 L HA 0.231 4.571 4.340 -0.000 0.000 0.280 117 L C -0.825 176.107 176.870 0.103 0.000 1.223 117 L CA -1.117 53.627 54.840 -0.160 0.000 0.864 117 L CB 0.371 42.255 42.059 -0.292 0.000 1.118 117 L HN 0.124 nan 8.230 nan 0.000 0.494 118 P HA -0.008 nan 4.420 nan 0.000 0.274 118 P C 0.512 177.887 177.300 0.125 0.000 1.237 118 P CA -0.595 62.610 63.100 0.175 0.000 0.793 118 P CB 1.029 32.861 31.700 0.220 0.000 0.977 119 L N 0.648 121.937 121.223 0.109 0.000 2.021 119 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 119 L C 0.915 177.826 176.870 0.068 0.000 1.074 119 L CA 2.086 56.977 54.840 0.086 0.000 0.760 119 L CB -0.700 41.417 42.059 0.097 0.000 0.889 119 L HN 0.421 nan 8.230 nan 0.000 0.433 120 Q N -1.018 118.814 119.800 0.054 0.000 2.394 120 Q HA 0.383 4.723 4.340 -0.000 0.000 0.273 120 Q C -0.994 174.978 176.000 -0.046 0.000 1.089 120 Q CA -1.027 54.791 55.803 0.025 0.000 0.812 120 Q CB 2.615 31.355 28.738 0.004 0.000 1.353 120 Q HN -0.078 nan 8.270 nan 0.000 0.438 121 V N 3.340 123.191 119.914 -0.105 0.000 2.599 121 V HA 0.053 4.173 4.120 -0.000 0.000 0.300 121 V C -2.023 173.874 176.094 -0.328 0.000 1.034 121 V CA -0.873 61.194 62.300 -0.389 0.000 1.115 121 V CB 0.035 31.683 31.823 -0.293 0.000 0.934 121 V HN 0.636 nan 8.190 nan 0.000 0.485 122 P HA 0.047 nan 4.420 nan 0.000 0.265 122 P C 0.365 177.572 177.300 -0.156 0.000 1.187 122 P CA 0.047 63.009 63.100 -0.230 0.000 0.766 122 P CB 0.495 32.066 31.700 -0.214 0.000 0.820 123 D N 1.230 121.584 120.400 -0.078 0.000 2.221 123 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 123 D C 1.223 177.501 176.300 -0.036 0.000 0.982 123 D CA 1.311 55.287 54.000 -0.040 0.000 0.857 123 D CB -0.004 40.787 40.800 -0.016 0.000 0.934 123 D HN 0.456 nan 8.370 nan 0.000 0.475 124 E N -0.669 119.505 120.200 -0.042 0.000 2.427 124 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 124 E C 0.023 176.606 176.600 -0.028 0.000 1.028 124 E CA 0.057 56.443 56.400 -0.024 0.000 0.864 124 E CB 0.359 30.052 29.700 -0.012 0.000 0.813 124 E HN 0.058 nan 8.360 nan 0.000 0.514 125 V N 1.642 121.516 119.914 -0.067 0.000 2.455 125 V HA 0.064 4.184 4.120 -0.000 0.000 0.273 125 V C 0.827 176.904 176.094 -0.029 0.000 1.045 125 V CA 0.478 62.743 62.300 -0.059 0.000 0.976 125 V CB 1.189 32.917 31.823 -0.158 0.000 0.993 125 V HN 0.145 nan 8.190 nan 0.000 0.475 126 K N 2.157 122.558 120.400 0.002 0.000 2.625 126 K HA 0.173 4.493 4.320 -0.000 0.000 0.202 126 K C 0.928 177.539 176.600 0.017 0.000 1.412 126 K CA 0.281 56.572 56.287 0.007 0.000 0.989 126 K CB 0.407 32.913 32.500 0.010 0.000 1.682 126 K HN 0.683 nan 8.250 nan 0.000 0.496 127 S N 0.787 116.505 115.700 0.031 0.000 2.645 127 S HA 0.057 4.527 4.470 -0.000 0.000 0.266 127 S C 1.309 175.947 174.600 0.062 0.000 1.258 127 S CA -0.049 58.174 58.200 0.038 0.000 0.990 127 S CB 1.471 64.696 63.200 0.042 0.000 0.967 127 S HN 0.270 nan 8.310 nan 0.000 0.556 128 S N 1.298 117.034 115.700 0.058 0.000 2.383 128 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 128 S C 1.890 176.584 174.600 0.157 0.000 1.030 128 S CA 1.351 59.603 58.200 0.088 0.000 1.002 128 S CB -1.246 61.987 63.200 0.056 0.000 0.829 128 S HN 0.657 nan 8.310 nan 0.000 0.467 129 S N 2.068 117.842 115.700 0.123 0.000 2.368 129 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 129 S C 1.604 176.292 174.600 0.146 0.000 1.030 129 S CA 1.342 59.620 58.200 0.130 0.000 0.999 129 S CB -0.631 62.622 63.200 0.088 0.000 0.844 129 S HN 0.546 nan 8.310 nan 0.000 0.459 130 D N 1.079 121.554 120.400 0.125 0.000 2.149 130 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 130 D C 1.837 178.257 176.300 0.201 0.000 0.990 130 D CA 0.624 54.702 54.000 0.129 0.000 0.839 130 D CB -0.353 40.495 40.800 0.081 0.000 0.948 130 D HN 0.202 nan 8.370 nan 0.000 0.460 131 L N 0.413 121.781 121.223 0.243 0.000 2.072 131 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 131 L C 2.130 179.359 176.870 0.597 0.000 1.079 131 L CA 1.006 56.080 54.840 0.390 0.000 0.752 131 L CB -0.629 41.631 42.059 0.336 0.000 0.906 131 L HN -0.004 nan 8.230 nan 0.000 0.436 132 L N -0.357 121.181 121.223 0.525 0.000 2.012 132 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 132 L C 2.711 179.683 176.870 0.169 0.000 1.073 132 L CA 1.823 56.873 54.840 0.350 0.000 0.748 132 L CB -0.703 41.506 42.059 0.250 0.000 0.891 132 L HN 0.268 nan 8.230 nan 0.000 0.431 133 R N -1.568 119.042 120.500 0.184 0.000 2.081 133 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 133 R C 2.359 178.763 176.300 0.175 0.000 1.131 133 R CA 1.888 58.072 56.100 0.140 0.000 0.960 133 R CB -0.591 29.787 30.300 0.131 0.000 0.856 133 R HN 0.440 nan 8.270 nan 0.000 0.436 134 F N 0.506 120.499 119.950 0.072 0.000 2.043 134 F HA -0.282 4.245 4.527 -0.000 0.000 0.297 134 F C 1.602 177.439 175.800 0.062 0.000 1.121 134 F CA 1.679 59.680 58.000 0.002 0.000 1.199 134 F CB -0.788 38.125 39.000 -0.145 0.000 0.968 134 F HN 0.019 nan 8.300 nan 0.000 0.478 135 Y N 0.336 120.596 120.300 -0.067 0.000 2.293 135 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 135 Y C 2.619 178.635 175.900 0.195 0.000 1.137 135 Y CA 1.438 59.520 58.100 -0.030 0.000 1.202 135 Y CB -0.866 37.593 38.460 -0.002 0.000 0.990 135 Y HN 0.154 nan 8.280 nan 0.000 0.537 136 Q N 0.043 119.934 119.800 0.151 0.000 2.167 136 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 136 Q C 1.309 177.410 176.000 0.168 0.000 0.970 136 Q CA 1.338 57.221 55.803 0.133 0.000 0.855 136 Q CB -0.459 28.280 28.738 0.001 0.000 0.911 136 Q HN 0.664 nan 8.270 nan 0.000 0.438 137 N N -0.891 117.877 118.700 0.113 0.000 2.422 137 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 137 N C -0.070 175.465 175.510 0.042 0.000 1.080 137 N CA -0.375 52.713 53.050 0.063 0.000 0.893 137 N CB 0.199 38.722 38.487 0.061 0.000 0.973 137 N HN 0.158 nan 8.380 nan 0.000 0.456 138 W N 2.871 124.085 121.300 -0.142 0.000 2.251 138 W HA 0.092 4.752 4.660 -0.000 0.000 0.327 138 W C -0.648 175.773 176.519 -0.164 0.000 1.361 138 W CA -0.086 57.132 57.345 -0.210 0.000 1.234 138 W CB 0.562 29.829 29.460 -0.322 0.000 1.212 138 W HN -0.073 nan 8.180 nan 0.000 0.557 139 Q N 8.398 127.595 119.800 -1.005 0.000 2.333 139 Q HA 0.324 4.664 4.340 -0.000 0.000 0.268 139 Q C -2.068 173.064 176.000 -1.447 0.000 1.007 139 Q CA -2.073 53.091 55.803 -1.065 0.000 0.810 139 Q CB 1.387 29.802 28.738 -0.538 0.000 1.264 139 Q HN 0.393 nan 8.270 nan 0.000 0.452 140 P HA 0.093 nan 4.420 nan 0.000 0.272 140 P C -0.155 176.761 177.300 -0.641 0.000 1.223 140 P CA 0.015 62.480 63.100 -1.058 0.000 0.784 140 P CB 0.912 32.166 31.700 -0.744 0.000 0.923 141 A N 2.298 124.746 122.820 -0.620 0.000 2.021 141 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 141 A C 0.381 177.278 177.584 -1.144 0.000 1.163 141 A CA 0.701 52.113 52.037 -1.043 0.000 0.676 141 A CB -0.237 17.713 19.000 -1.749 0.000 0.818 141 A HN 0.590 nan 8.150 nan 0.000 0.453 142 W N -2.898 118.355 121.300 -0.080 0.000 3.075 142 W HA 0.625 5.285 4.660 -0.000 0.000 0.334 142 W C -0.070 176.392 176.519 -0.095 0.000 1.243 142 W CA -1.259 56.042 57.345 -0.073 0.000 1.170 142 W CB 0.966 30.397 29.460 -0.048 0.000 1.452 142 W HN 0.127 nan 8.180 nan 0.000 0.572 143 A N 2.479 125.389 122.820 0.150 0.000 2.406 143 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 143 A C -2.204 175.384 177.584 0.007 0.000 1.082 143 A CA -0.794 51.266 52.037 0.039 0.000 0.786 143 A CB -0.726 18.295 19.000 0.035 0.000 1.029 143 A HN 0.135 nan 8.150 nan 0.000 0.495 144 P HA 0.281 nan 4.420 nan 0.000 0.269 144 P C 0.789 177.946 177.300 -0.239 0.000 1.209 144 P CA 1.590 64.512 63.100 -0.296 0.000 0.776 144 P CB 0.498 31.930 31.700 -0.447 0.000 0.876 145 G N 1.509 110.111 108.800 -0.331 0.000 2.176 145 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 145 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 145 G C 0.639 175.480 174.900 -0.098 0.000 1.024 145 G CA 0.728 45.786 45.100 -0.070 0.000 0.755 145 G HN 0.708 nan 8.290 nan 0.000 0.507 146 T N -5.115 109.340 114.554 -0.164 0.000 2.987 146 T HA 0.438 4.788 4.350 -0.000 0.000 0.248 146 T C 0.545 175.093 174.700 -0.253 0.000 0.997 146 T CA 0.801 62.826 62.100 -0.125 0.000 1.013 146 T CB 0.649 69.487 68.868 -0.050 0.000 1.077 146 T HN 0.280 nan 8.240 nan 0.000 0.483 147 Q N 1.000 120.597 119.800 -0.339 0.000 2.331 147 Q HA 0.464 4.804 4.340 -0.000 0.000 0.272 147 Q C -1.389 174.399 176.000 -0.353 0.000 1.062 147 Q CA -0.475 55.043 55.803 -0.476 0.000 0.806 147 Q CB 3.163 31.298 28.738 -1.005 0.000 1.312 147 Q HN 0.396 nan 8.270 nan 0.000 0.431 148 R N 2.330 122.657 120.500 -0.288 0.000 2.221 148 R HA 0.503 4.843 4.340 -0.000 0.000 0.327 148 R C -1.134 175.128 176.300 -0.064 0.000 1.033 148 R CA -0.508 55.511 56.100 -0.135 0.000 0.887 148 R CB 0.414 30.677 30.300 -0.061 0.000 1.057 148 R HN 0.448 nan 8.270 nan 0.000 0.455 149 L N 6.088 127.342 121.223 0.051 0.000 2.415 149 L HA 0.258 4.598 4.340 -0.000 0.000 0.268 149 L C -1.375 175.533 176.870 0.063 0.000 0.984 149 L CA -0.733 54.165 54.840 0.095 0.000 0.853 149 L CB 0.976 43.172 42.059 0.228 0.000 1.215 149 L HN 0.607 nan 8.230 nan 0.000 0.419 150 Y N 4.757 124.934 120.300 -0.204 0.000 2.881 150 Y HA 0.326 4.876 4.550 -0.000 0.000 0.335 150 Y C 0.072 175.802 175.900 -0.282 0.000 1.263 150 Y CA 1.016 58.780 58.100 -0.560 0.000 1.572 150 Y CB 0.393 38.587 38.460 -0.444 0.000 1.237 150 Y HN 0.804 nan 8.280 nan 0.000 0.568 151 A N 5.701 128.093 122.820 -0.714 0.000 2.480 151 A HA 0.298 4.618 4.320 -0.000 0.000 0.289 151 A C -0.005 177.488 177.584 -0.150 0.000 1.044 151 A CA -0.900 51.009 52.037 -0.213 0.000 0.761 151 A CB 0.716 19.734 19.000 0.030 0.000 1.289 151 A HN 0.783 nan 8.150 nan 0.000 0.401 152 N N 1.219 119.880 118.700 -0.065 0.000 2.166 152 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 152 N C 2.060 177.641 175.510 0.118 0.000 1.019 152 N CA 1.974 55.062 53.050 0.063 0.000 0.856 152 N CB -0.116 38.473 38.487 0.170 0.000 0.993 152 N HN 0.837 nan 8.380 nan 0.000 0.426 153 S N -1.038 114.747 115.700 0.141 0.000 2.447 153 S HA 0.022 4.492 4.470 -0.000 0.000 0.233 153 S C 2.045 176.815 174.600 0.284 0.000 1.006 153 S CA 1.022 59.371 58.200 0.248 0.000 0.957 153 S CB -0.130 63.235 63.200 0.274 0.000 0.773 153 S HN 0.202 nan 8.310 nan 0.000 0.507 154 S N 1.215 117.029 115.700 0.191 0.000 2.315 154 S HA 0.223 4.693 4.470 -0.000 0.000 0.211 154 S C 1.674 176.358 174.600 0.140 0.000 1.029 154 S CA 0.634 58.934 58.200 0.167 0.000 0.956 154 S CB -0.591 62.718 63.200 0.182 0.000 0.918 154 S HN 0.576 nan 8.310 nan 0.000 0.470 155 I N 1.227 121.875 120.570 0.130 0.000 2.493 155 I HA -0.019 4.151 4.170 -0.000 0.000 0.254 155 I C 2.143 178.336 176.117 0.127 0.000 1.160 155 I CA 1.100 62.467 61.300 0.112 0.000 1.445 155 I CB -0.637 37.404 38.000 0.068 0.000 1.086 155 I HN 0.482 nan 8.210 nan 0.000 0.433 156 G N 1.089 109.933 108.800 0.073 0.000 2.446 156 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 156 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 156 G C 1.535 176.392 174.900 -0.072 0.000 1.168 156 G CA 1.001 46.082 45.100 -0.032 0.000 0.771 156 G HN 0.386 nan 8.290 nan 0.000 0.551 157 L N -0.270 120.958 121.223 0.008 0.000 2.056 157 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 157 L C 2.438 179.258 176.870 -0.084 0.000 1.078 157 L CA 1.496 56.276 54.840 -0.101 0.000 0.749 157 L CB -0.796 41.147 42.059 -0.193 0.000 0.901 157 L HN 0.235 nan 8.230 nan 0.000 0.433 158 F N 0.504 120.389 119.950 -0.108 0.000 2.091 158 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 158 F C 2.180 177.914 175.800 -0.110 0.000 1.103 158 F CA 1.925 59.864 58.000 -0.101 0.000 1.228 158 F CB -1.086 37.865 39.000 -0.081 0.000 0.984 158 F HN 0.124 nan 8.300 nan 0.000 0.477 159 G N -0.307 108.348 108.800 -0.241 0.000 2.446 159 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 159 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 159 G C 1.833 176.572 174.900 -0.269 0.000 1.168 159 G CA 1.115 46.053 45.100 -0.270 0.000 0.771 159 G HN 0.686 nan 8.290 nan 0.000 0.551 160 A N 0.493 123.111 122.820 -0.338 0.000 1.902 160 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 160 A C 2.449 179.862 177.584 -0.285 0.000 1.181 160 A CA 1.365 53.224 52.037 -0.298 0.000 0.623 160 A CB -0.390 18.401 19.000 -0.349 0.000 0.818 160 A HN 0.359 nan 8.150 nan 0.000 0.443 161 L N -0.990 120.033 121.223 -0.333 0.000 2.156 161 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 161 L C 3.029 179.644 176.870 -0.425 0.000 1.095 161 L CA 0.827 55.476 54.840 -0.318 0.000 0.770 161 L CB -0.609 41.310 42.059 -0.233 0.000 0.914 161 L HN 0.430 nan 8.230 nan 0.000 0.439 162 A N 0.377 122.861 122.820 -0.560 0.000 1.972 162 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 162 A C 2.148 179.515 177.584 -0.362 0.000 1.169 162 A CA 1.892 53.564 52.037 -0.609 0.000 0.635 162 A CB -0.704 17.772 19.000 -0.873 0.000 0.810 162 A HN 0.355 nan 8.150 nan 0.000 0.446 163 V N -3.866 115.897 119.914 -0.251 0.000 3.649 163 V HA 0.079 4.199 4.120 -0.000 0.000 0.275 163 V C 1.678 177.693 176.094 -0.132 0.000 1.281 163 V CA 0.900 63.098 62.300 -0.169 0.000 1.143 163 V CB -0.409 31.343 31.823 -0.119 0.000 0.892 163 V HN 0.289 nan 8.190 nan 0.000 0.441 164 K N 1.456 121.774 120.400 -0.137 0.000 2.009 164 K HA -0.068 4.252 4.320 -0.000 0.000 0.210 164 K C 0.232 176.814 176.600 -0.031 0.000 1.049 164 K CA 2.121 58.363 56.287 -0.075 0.000 0.929 164 K CB -1.688 30.789 32.500 -0.038 0.000 0.714 164 K HN 0.472 nan 8.250 nan 0.000 0.440 165 P HA -0.138 nan 4.420 nan 0.000 0.218 165 P C 1.456 178.746 177.300 -0.016 0.000 1.148 165 P CA 1.565 64.677 63.100 0.019 0.000 0.822 165 P CB -0.106 31.623 31.700 0.049 0.000 0.784 166 S N -1.358 114.314 115.700 -0.048 0.000 2.447 166 S HA 0.011 4.480 4.470 -0.000 0.000 0.233 166 S C 1.903 176.472 174.600 -0.052 0.000 1.006 166 S CA 1.059 59.225 58.200 -0.057 0.000 0.957 166 S CB -1.626 61.523 63.200 -0.086 0.000 0.773 166 S HN 0.314 nan 8.310 nan 0.000 0.507 167 G N 0.596 109.367 108.800 -0.048 0.000 2.189 167 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.267 167 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.267 167 G C -0.024 174.843 174.900 -0.055 0.000 0.975 167 G CA 0.650 45.723 45.100 -0.045 0.000 0.644 167 G HN 0.596 nan 8.290 nan 0.000 0.537 168 L N 1.489 122.669 121.223 -0.072 0.000 2.379 168 L HA 0.583 4.923 4.340 -0.000 0.000 0.269 168 L C 1.488 178.309 176.870 -0.081 0.000 1.084 168 L CA -0.305 54.485 54.840 -0.083 0.000 0.802 168 L CB 1.452 43.443 42.059 -0.113 0.000 1.175 168 L HN 0.379 nan 8.230 nan 0.000 0.448 169 S N 0.766 116.424 115.700 -0.070 0.000 2.569 169 S HA -0.031 4.439 4.470 -0.000 0.000 0.274 169 S C 0.899 175.465 174.600 -0.056 0.000 1.353 169 S CA -0.245 57.928 58.200 -0.046 0.000 1.023 169 S CB 0.331 63.511 63.200 -0.033 0.000 0.876 169 S HN 0.552 nan 8.310 nan 0.000 0.540 170 F N 1.286 121.143 119.950 -0.154 0.000 2.095 170 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 170 F C 2.509 178.194 175.800 -0.191 0.000 1.104 170 F CA 2.250 60.142 58.000 -0.180 0.000 1.232 170 F CB -0.453 38.439 39.000 -0.180 0.000 0.987 170 F HN 0.946 nan 8.300 nan 0.000 0.475 171 E N -0.548 119.623 120.200 -0.047 0.000 2.051 171 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 171 E C 2.179 178.626 176.600 -0.255 0.000 0.991 171 E CA 1.323 57.638 56.400 -0.142 0.000 0.799 171 E CB -0.121 29.575 29.700 -0.006 0.000 0.748 171 E HN 0.395 nan 8.360 nan 0.000 0.449 172 Q N -0.055 119.635 119.800 -0.184 0.000 2.119 172 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 172 Q C 2.080 177.922 176.000 -0.263 0.000 0.972 172 Q CA 1.314 57.006 55.803 -0.184 0.000 0.847 172 Q CB -0.357 28.311 28.738 -0.117 0.000 0.903 172 Q HN 0.383 nan 8.270 nan 0.000 0.433 173 A N 0.620 123.250 122.820 -0.316 0.000 1.877 173 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 173 A C 2.150 179.443 177.584 -0.485 0.000 1.186 173 A CA 1.895 53.717 52.037 -0.358 0.000 0.620 173 A CB -0.482 18.297 19.000 -0.369 0.000 0.822 173 A HN 0.342 nan 8.150 nan 0.000 0.443 174 M N -0.155 119.018 119.600 -0.712 0.000 2.086 174 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 174 M C 2.165 177.858 176.300 -1.012 0.000 1.067 174 M CA 1.962 56.698 55.300 -0.940 0.000 1.116 174 M CB -0.605 31.279 32.600 -1.193 0.000 1.348 174 M HN 0.529 nan 8.290 nan 0.000 0.407 175 Q N -1.086 118.253 119.800 -0.770 0.000 2.050 175 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 175 Q C 1.930 177.745 176.000 -0.307 0.000 0.980 175 Q CA 2.371 57.877 55.803 -0.495 0.000 0.840 175 Q CB -0.490 28.075 28.738 -0.289 0.000 0.898 175 Q HN 0.773 nan 8.270 nan 0.000 0.424 176 T N -2.192 112.202 114.554 -0.268 0.000 3.014 176 T HA 0.060 4.410 4.350 -0.000 0.000 0.263 176 T C 1.682 176.290 174.700 -0.152 0.000 1.078 176 T CA 0.360 62.356 62.100 -0.173 0.000 1.135 176 T CB 0.097 68.880 68.868 -0.142 0.000 0.895 176 T HN 0.126 nan 8.240 nan 0.000 0.480 177 R N -0.095 120.285 120.500 -0.199 0.000 2.254 177 R HA 0.383 4.723 4.340 -0.000 0.000 0.193 177 R C 1.578 177.819 176.300 -0.098 0.000 0.929 177 R CA 0.270 56.286 56.100 -0.140 0.000 1.038 177 R CB 0.454 30.661 30.300 -0.155 0.000 1.009 177 R HN 0.287 nan 8.270 nan 0.000 0.512 178 V N -0.912 118.912 119.914 -0.150 0.000 3.054 178 V HA 0.034 4.154 4.120 -0.000 0.000 0.227 178 V C 1.411 177.575 176.094 0.116 0.000 1.252 178 V CA 0.493 62.788 62.300 -0.009 0.000 1.279 178 V CB -0.313 31.491 31.823 -0.033 0.000 1.118 178 V HN -0.023 nan 8.190 nan 0.000 0.504 179 F N 1.479 121.355 119.950 -0.124 0.000 2.102 179 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 179 F C 2.604 178.320 175.800 -0.139 0.000 1.105 179 F CA 1.460 59.354 58.000 -0.178 0.000 1.239 179 F CB -1.155 37.632 39.000 -0.354 0.000 0.991 179 F HN 0.193 nan 8.300 nan 0.000 0.474 180 Q N -0.282 119.542 119.800 0.040 0.000 2.046 180 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 180 Q C -0.329 175.671 176.000 0.001 0.000 0.975 180 Q CA 1.602 57.393 55.803 -0.020 0.000 0.836 180 Q CB -1.441 27.261 28.738 -0.061 0.000 0.896 180 Q HN 0.262 nan 8.270 nan 0.000 0.428 181 P HA -0.153 nan 4.420 nan 0.000 0.218 181 P C 0.645 177.973 177.300 0.046 0.000 1.148 181 P CA 1.212 64.324 63.100 0.021 0.000 0.822 181 P CB 0.033 31.746 31.700 0.021 0.000 0.784 182 L N -1.396 119.881 121.223 0.089 0.000 2.592 182 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 182 L C 0.399 177.318 176.870 0.083 0.000 1.127 182 L CA 0.101 55.011 54.840 0.117 0.000 0.884 182 L CB -0.712 41.486 42.059 0.232 0.000 1.065 182 L HN -0.041 nan 8.230 nan 0.000 0.457 183 K N 0.890 121.314 120.400 0.039 0.000 3.096 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.266 183 K C -0.305 176.290 176.600 -0.008 0.000 1.043 183 K CA 0.373 56.661 56.287 0.003 0.000 0.758 183 K CB -1.808 30.698 32.500 0.011 0.000 1.260 183 K HN 0.334 nan 8.250 nan 0.000 0.481 184 L N 1.285 122.489 121.223 -0.031 0.000 2.389 184 L HA 0.132 4.472 4.340 -0.000 0.000 0.265 184 L C 0.952 177.662 176.870 -0.267 0.000 1.167 184 L CA -0.504 54.268 54.840 -0.114 0.000 1.045 184 L CB 0.098 42.059 42.059 -0.165 0.000 1.351 184 L HN 0.155 nan 8.230 nan 0.000 0.419 185 N N 0.327 118.890 118.700 -0.229 0.000 2.461 185 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 185 N C 0.627 175.726 175.510 -0.686 0.000 1.134 185 N CA 0.629 53.429 53.050 -0.416 0.000 0.878 185 N CB 0.206 38.472 38.487 -0.367 0.000 0.972 185 N HN 0.507 nan 8.380 nan 0.000 0.456 186 H N -1.157 117.810 119.070 -0.172 0.000 2.767 186 H HA 0.262 4.818 4.556 -0.000 0.000 0.235 186 H C -0.403 174.814 175.328 -0.185 0.000 1.256 186 H CA -0.106 55.911 56.048 -0.053 0.000 0.957 186 H CB 0.387 30.149 29.762 0.000 0.000 2.117 186 H HN -0.137 nan 8.280 nan 0.000 0.602 187 T N 1.011 115.245 114.554 -0.533 0.000 2.812 187 T HA 0.338 4.688 4.350 -0.000 0.000 0.282 187 T C -0.761 173.252 174.700 -1.145 0.000 0.990 187 T CA -0.434 61.177 62.100 -0.815 0.000 0.960 187 T CB 1.368 69.521 68.868 -1.193 0.000 0.948 187 T HN 0.225 nan 8.240 nan 0.000 0.438 188 W N 1.902 122.885 121.300 -0.529 0.000 3.127 188 W HA 0.548 5.208 4.660 0.000 0.000 0.330 188 W C 0.593 176.984 176.519 -0.212 0.000 1.187 188 W CA -0.822 56.355 57.345 -0.280 0.000 1.198 188 W CB 1.112 30.421 29.460 -0.252 0.000 1.408 188 W HN 0.501 nan 8.180 nan 0.000 0.529 189 I N 1.487 122.175 120.570 0.197 0.000 2.494 189 I HA -0.057 4.113 4.170 -0.000 0.000 0.250 189 I C 0.433 176.580 176.117 0.050 0.000 1.112 189 I CA 0.848 62.202 61.300 0.090 0.000 1.438 189 I CB -0.053 38.011 38.000 0.107 0.000 1.111 189 I HN 0.270 nan 8.210 nan 0.000 0.431 190 N N 1.519 120.290 118.700 0.118 0.000 2.511 190 N HA 0.236 4.976 4.740 -0.000 0.000 0.249 190 N C -0.834 174.597 175.510 -0.131 0.000 0.971 190 N CA -0.203 52.846 53.050 -0.002 0.000 0.938 190 N CB 2.356 40.845 38.487 0.003 0.000 1.131 190 N HN -0.173 nan 8.380 nan 0.000 0.505 191 V N 4.926 124.668 119.914 -0.286 0.000 2.485 191 V HA 0.103 4.223 4.120 -0.000 0.000 0.287 191 V C -1.409 174.350 176.094 -0.559 0.000 1.022 191 V CA -0.774 61.205 62.300 -0.535 0.000 1.067 191 V CB 0.183 31.671 31.823 -0.559 0.000 0.967 191 V HN 0.508 nan 8.190 nan 0.000 0.479 192 P HA 0.305 nan 4.420 nan 0.000 0.276 192 P C -2.310 174.766 177.300 -0.374 0.000 1.252 192 P CA -1.911 60.822 63.100 -0.612 0.000 0.802 192 P CB 0.683 31.880 31.700 -0.838 0.000 1.035 193 P HA -0.208 nan 4.420 nan 0.000 0.216 193 P C 1.498 178.723 177.300 -0.125 0.000 1.154 193 P CA 2.239 65.254 63.100 -0.141 0.000 0.865 193 P CB -0.545 31.095 31.700 -0.100 0.000 0.789 194 A N -0.236 122.499 122.820 -0.142 0.000 2.024 194 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 194 A C 2.016 179.551 177.584 -0.081 0.000 1.164 194 A CA 1.526 53.508 52.037 -0.091 0.000 0.643 194 A CB -0.792 18.164 19.000 -0.073 0.000 0.806 194 A HN 0.133 nan 8.150 nan 0.000 0.451 195 E N -0.615 119.494 120.200 -0.151 0.000 2.474 195 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 195 E C 1.379 177.929 176.600 -0.083 0.000 1.039 195 E CA 0.095 56.426 56.400 -0.115 0.000 0.881 195 E CB -0.007 29.571 29.700 -0.204 0.000 0.970 195 E HN 0.746 nan 8.360 nan 0.000 0.486 196 E N 1.418 121.572 120.200 -0.075 0.000 2.118 196 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 196 E C 1.972 178.589 176.600 0.028 0.000 0.992 196 E CA 1.290 57.685 56.400 -0.007 0.000 0.804 196 E CB -0.097 29.598 29.700 -0.008 0.000 0.741 196 E HN 0.239 nan 8.360 nan 0.000 0.458 197 K N 0.378 120.789 120.400 0.019 0.000 2.280 197 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 197 K C 1.181 177.805 176.600 0.040 0.000 1.047 197 K CA 1.199 57.508 56.287 0.037 0.000 0.942 197 K CB 0.032 32.549 32.500 0.028 0.000 0.739 197 K HN 0.015 nan 8.250 nan 0.000 0.457 198 N N -0.185 118.532 118.700 0.029 0.000 2.254 198 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 198 N C -0.596 174.940 175.510 0.043 0.000 1.107 198 N CA 0.014 53.078 53.050 0.023 0.000 0.869 198 N CB 0.156 38.644 38.487 0.002 0.000 0.983 198 N HN 0.159 nan 8.380 nan 0.000 0.487 199 Y N 3.215 123.432 120.300 -0.137 0.000 2.584 199 Y HA 0.385 4.935 4.550 -0.000 0.000 0.351 199 Y C 0.225 176.010 175.900 -0.192 0.000 1.030 199 Y CA -1.734 56.240 58.100 -0.211 0.000 1.332 199 Y CB -0.569 37.707 38.460 -0.306 0.000 1.148 199 Y HN -0.038 nan 8.280 nan 0.000 0.528 200 A N 6.214 129.077 122.820 0.072 0.000 2.483 200 A HA 0.106 4.426 4.320 -0.000 0.000 0.238 200 A C -0.528 177.056 177.584 0.001 0.000 1.070 200 A CA -0.306 51.746 52.037 0.025 0.000 0.770 200 A CB 0.053 19.016 19.000 -0.062 0.000 1.008 200 A HN 0.868 nan 8.150 nan 0.000 0.497 201 W N 0.843 122.163 121.300 0.033 0.000 2.261 201 W HA 0.471 5.131 4.660 0.000 0.000 0.323 201 W C 0.960 177.212 176.519 -0.445 0.000 1.243 201 W CA 0.584 57.754 57.345 -0.291 0.000 1.210 201 W CB 0.950 30.085 29.460 -0.542 0.000 1.149 201 W HN 0.936 nan 8.180 nan 0.000 0.562 202 G N 1.448 110.081 108.800 -0.279 0.000 2.507 202 G HA2 0.443 4.403 3.960 -0.000 0.000 0.271 202 G HA3 0.443 4.403 3.960 -0.000 0.000 0.271 202 G C -2.074 172.420 174.900 -0.677 0.000 1.189 202 G CA -0.466 44.187 45.100 -0.743 0.000 0.859 202 G HN 0.424 nan 8.290 nan 0.000 0.542 203 Y N -0.242 119.971 120.300 -0.145 0.000 2.326 203 Y HA 0.488 5.037 4.550 -0.000 0.000 0.329 203 Y C 0.447 176.338 175.900 -0.014 0.000 0.973 203 Y CA -0.808 57.264 58.100 -0.046 0.000 1.162 203 Y CB 2.084 40.525 38.460 -0.032 0.000 1.147 203 Y HN 0.549 nan 8.280 nan 0.000 0.456 204 R N 2.877 123.435 120.500 0.096 0.000 2.435 204 R HA 0.388 4.728 4.340 -0.000 0.000 0.308 204 R C -0.757 175.586 176.300 0.072 0.000 0.975 204 R CA -0.428 55.720 56.100 0.080 0.000 0.867 204 R CB 0.561 30.895 30.300 0.056 0.000 1.171 204 R HN 0.857 nan 8.270 nan 0.000 0.470 205 E N 3.081 123.323 120.200 0.070 0.000 2.297 205 E HA -0.247 4.103 4.350 -0.000 0.000 0.228 205 E C 0.638 177.271 176.600 0.056 0.000 1.213 205 E CA 0.852 57.283 56.400 0.051 0.000 0.712 205 E CB -1.239 28.481 29.700 0.034 0.000 1.202 205 E HN 1.180 nan 8.360 nan 0.000 0.376 206 G N -0.259 108.594 108.800 0.089 0.000 2.196 206 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.268 206 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.268 206 G C 0.238 175.225 174.900 0.145 0.000 0.975 206 G CA 0.987 46.145 45.100 0.096 0.000 0.648 206 G HN 0.300 nan 8.290 nan 0.000 0.538 207 K N 0.617 121.084 120.400 0.111 0.000 2.159 207 K HA 0.667 4.987 4.320 -0.000 0.000 0.266 207 K C 0.461 177.025 176.600 -0.060 0.000 0.975 207 K CA -0.055 56.247 56.287 0.025 0.000 0.865 207 K CB 1.669 34.157 32.500 -0.020 0.000 1.087 207 K HN 0.402 nan 8.250 nan 0.000 0.446 208 A N 2.489 125.168 122.820 -0.236 0.000 2.454 208 A HA 0.358 4.678 4.320 -0.000 0.000 0.260 208 A C -0.083 177.314 177.584 -0.312 0.000 1.106 208 A CA -0.382 51.312 52.037 -0.571 0.000 0.780 208 A CB -0.195 18.288 19.000 -0.862 0.000 1.044 208 A HN 0.505 nan 8.150 nan 0.000 0.498 209 V N 1.125 120.954 119.914 -0.141 0.000 2.925 209 V HA 0.679 4.799 4.120 -0.000 0.000 0.311 209 V C -0.674 175.529 176.094 0.183 0.000 1.104 209 V CA -0.809 61.525 62.300 0.057 0.000 0.954 209 V CB 1.228 33.082 31.823 0.051 0.000 1.022 209 V HN 0.953 nan 8.190 nan 0.000 0.427 210 H N 0.824 120.026 119.070 0.221 0.000 2.731 210 H HA 0.682 5.238 4.556 -0.000 0.000 0.368 210 H C -0.474 174.946 175.328 0.153 0.000 1.168 210 H CA -1.014 55.107 56.048 0.121 0.000 1.181 210 H CB 2.340 32.043 29.762 -0.098 0.000 1.743 210 H HN 0.782 nan 8.280 nan 0.000 0.547 211 V N 2.775 122.872 119.914 0.306 0.000 2.673 211 V HA 0.012 4.132 4.120 -0.000 0.000 0.303 211 V C 0.127 176.339 176.094 0.195 0.000 1.046 211 V CA 0.218 62.653 62.300 0.224 0.000 1.126 211 V CB 0.665 32.620 31.823 0.221 0.000 0.934 211 V HN 0.860 nan 8.190 nan 0.000 0.487 212 S N 7.252 123.050 115.700 0.164 0.000 2.646 212 S HA 0.660 5.130 4.470 -0.000 0.000 0.276 212 S C -2.445 172.244 174.600 0.148 0.000 1.222 212 S CA -1.205 57.077 58.200 0.137 0.000 1.014 212 S CB 1.115 64.378 63.200 0.104 0.000 0.991 212 S HN 0.752 nan 8.310 nan 0.000 0.533 213 P HA 0.512 nan 4.420 nan 0.000 0.269 213 P C -0.043 177.316 177.300 0.099 0.000 1.215 213 P CA -0.067 63.085 63.100 0.087 0.000 0.780 213 P CB 0.267 31.997 31.700 0.050 0.000 0.898 214 G N -0.460 108.390 108.800 0.084 0.000 2.703 214 G HA2 0.542 4.502 3.960 -0.000 0.000 0.294 214 G HA3 0.542 4.502 3.960 -0.000 0.000 0.294 214 G C -1.362 173.545 174.900 0.013 0.000 1.451 214 G CA -0.427 44.728 45.100 0.092 0.000 0.869 214 G HN 0.531 nan 8.290 nan 0.000 0.516 215 A N 0.682 123.502 122.820 -0.001 0.000 2.546 215 A HA 0.512 4.832 4.320 -0.000 0.000 0.243 215 A C 1.440 178.984 177.584 -0.066 0.000 1.063 215 A CA 0.583 52.600 52.037 -0.034 0.000 0.757 215 A CB -0.421 18.561 19.000 -0.030 0.000 0.991 215 A HN 1.779 nan 8.150 nan 0.000 0.503 216 L N 0.545 121.693 121.223 -0.126 0.000 3.839 216 L HA -0.326 4.014 4.340 -0.000 0.000 0.416 216 L C 1.130 177.779 176.870 -0.368 0.000 1.195 216 L CA 0.649 55.360 54.840 -0.214 0.000 0.946 216 L CB -1.740 40.253 42.059 -0.110 0.000 1.891 216 L HN 1.012 nan 8.230 nan 0.000 0.963 217 D N 0.016 120.149 120.400 -0.445 0.000 2.117 217 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 217 D C 1.984 177.844 176.300 -0.734 0.000 0.982 217 D CA 1.340 54.782 54.000 -0.931 0.000 0.828 217 D CB -0.117 40.340 40.800 -0.572 0.000 0.967 217 D HN 0.420 nan 8.370 nan 0.000 0.464 218 A N 0.855 123.419 122.820 -0.426 0.000 1.917 218 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 218 A C 2.115 179.479 177.584 -0.367 0.000 1.182 218 A CA 2.084 53.955 52.037 -0.276 0.000 0.633 218 A CB -0.737 18.180 19.000 -0.137 0.000 0.819 218 A HN 0.234 nan 8.150 nan 0.000 0.448 219 E N -0.559 119.230 120.200 -0.686 0.000 2.208 219 E HA 0.145 4.495 4.350 -0.000 0.000 0.193 219 E C 1.936 178.377 176.600 -0.265 0.000 0.988 219 E CA 1.196 57.139 56.400 -0.761 0.000 0.828 219 E CB -0.202 28.984 29.700 -0.858 0.000 0.763 219 E HN 0.607 nan 8.360 nan 0.000 0.478 220 A N -0.435 122.236 122.820 -0.248 0.000 2.055 220 A HA 0.111 4.431 4.320 -0.000 0.000 0.205 220 A C 0.831 178.493 177.584 0.130 0.000 1.235 220 A CA 0.481 52.507 52.037 -0.019 0.000 0.822 220 A CB 0.046 19.096 19.000 0.084 0.000 0.903 220 A HN 0.395 nan 8.150 nan 0.000 0.473 221 Y N -4.126 116.194 120.300 0.032 0.000 2.954 221 Y HA 0.484 5.034 4.550 -0.000 0.000 0.267 221 Y C 0.920 176.839 175.900 0.030 0.000 1.093 221 Y CA -0.396 57.736 58.100 0.054 0.000 1.257 221 Y CB -0.384 38.115 38.460 0.065 0.000 1.317 221 Y HN -0.005 nan 8.280 nan 0.000 0.587 222 G N 0.711 109.472 108.800 -0.065 0.000 3.088 222 G HA2 0.326 4.286 3.960 -0.000 0.000 0.217 222 G HA3 0.326 4.286 3.960 -0.000 0.000 0.217 222 G C -0.209 174.669 174.900 -0.038 0.000 1.159 222 G CA 0.106 45.169 45.100 -0.062 0.000 0.760 222 G HN 0.113 nan 8.290 nan 0.000 0.550 223 V N 0.752 120.641 119.914 -0.042 0.000 2.546 223 V HA 0.388 4.507 4.120 -0.000 0.000 0.284 223 V C -0.258 175.732 176.094 -0.173 0.000 1.050 223 V CA -0.417 61.798 62.300 -0.141 0.000 0.981 223 V CB 1.356 33.006 31.823 -0.287 0.000 0.990 223 V HN 0.138 nan 8.190 nan 0.000 0.474 224 K N 2.574 122.829 120.400 -0.242 0.000 2.259 224 K HA 0.801 5.121 4.320 -0.000 0.000 0.252 224 K C -0.500 175.954 176.600 -0.243 0.000 0.936 224 K CA -0.201 55.927 56.287 -0.266 0.000 0.810 224 K CB 2.000 34.225 32.500 -0.458 0.000 1.143 224 K HN 0.695 nan 8.250 nan 0.000 0.427 225 S N 0.068 115.696 115.700 -0.120 0.000 2.588 225 S HA 0.568 5.038 4.470 -0.000 0.000 0.269 225 S C -1.221 173.445 174.600 0.110 0.000 1.157 225 S CA -0.753 57.402 58.200 -0.075 0.000 0.824 225 S CB 1.002 64.124 63.200 -0.129 0.000 1.126 225 S HN 0.690 nan 8.310 nan 0.000 0.464 226 T N 0.327 114.944 114.554 0.106 0.000 2.927 226 T HA 0.516 4.866 4.350 -0.000 0.000 0.281 226 T C 1.284 176.097 174.700 0.187 0.000 0.998 226 T CA -0.533 61.673 62.100 0.176 0.000 1.019 226 T CB 0.783 69.695 68.868 0.072 0.000 1.061 226 T HN 0.436 nan 8.240 nan 0.000 0.518 227 I N 0.783 121.475 120.570 0.205 0.000 2.361 227 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 227 I C 2.349 178.607 176.117 0.234 0.000 1.133 227 I CA 1.479 62.908 61.300 0.215 0.000 1.413 227 I CB -0.605 37.537 38.000 0.236 0.000 1.073 227 I HN 0.827 nan 8.210 nan 0.000 0.424 228 E N -0.056 120.175 120.200 0.051 0.000 2.047 228 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 228 E C 1.720 178.419 176.600 0.165 0.000 0.987 228 E CA 1.415 57.845 56.400 0.051 0.000 0.799 228 E CB -0.183 29.428 29.700 -0.150 0.000 0.752 228 E HN 0.478 nan 8.360 nan 0.000 0.449 229 D N 0.211 120.686 120.400 0.125 0.000 2.144 229 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 229 D C 1.837 178.266 176.300 0.215 0.000 0.984 229 D CA 0.941 55.018 54.000 0.127 0.000 0.834 229 D CB -0.018 40.801 40.800 0.032 0.000 0.955 229 D HN 0.070 nan 8.370 nan 0.000 0.465 230 M N 0.315 120.058 119.600 0.239 0.000 2.175 230 M HA 0.018 4.497 4.480 -0.000 0.000 0.264 230 M C 2.235 178.725 176.300 0.318 0.000 1.063 230 M CA 0.648 56.144 55.300 0.328 0.000 1.119 230 M CB -1.103 31.669 32.600 0.286 0.000 1.377 230 M HN -0.024 nan 8.290 nan 0.000 0.415 231 A N -0.082 122.903 122.820 0.275 0.000 1.908 231 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 231 A C 2.388 180.052 177.584 0.132 0.000 1.181 231 A CA 2.000 54.154 52.037 0.194 0.000 0.627 231 A CB -0.715 18.420 19.000 0.226 0.000 0.818 231 A HN 0.463 nan 8.150 nan 0.000 0.445 232 R N -1.427 119.180 120.500 0.177 0.000 2.092 232 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 232 R C 2.149 178.552 176.300 0.172 0.000 1.119 232 R CA 1.473 57.656 56.100 0.138 0.000 0.970 232 R CB -0.385 30.007 30.300 0.153 0.000 0.864 232 R HN 0.830 nan 8.270 nan 0.000 0.440 233 W N 0.437 121.763 121.300 0.044 0.000 2.335 233 W HA -0.226 4.434 4.660 0.000 0.000 0.311 233 W C 1.431 177.893 176.519 -0.095 0.000 1.213 233 W CA 1.355 58.713 57.345 0.022 0.000 1.274 233 W CB -0.083 29.437 29.460 0.100 0.000 1.148 233 W HN -0.017 nan 8.180 nan 0.000 0.498 234 V N 1.238 121.079 119.914 -0.122 0.000 2.295 234 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 234 V C 2.382 178.137 176.094 -0.564 0.000 1.049 234 V CA 2.275 64.306 62.300 -0.448 0.000 1.024 234 V CB -1.104 30.593 31.823 -0.211 0.000 0.648 234 V HN 0.243 nan 8.190 nan 0.000 0.447 235 Q N -0.198 119.422 119.800 -0.299 0.000 2.096 235 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 235 Q C 2.488 178.298 176.000 -0.316 0.000 0.982 235 Q CA 2.007 57.649 55.803 -0.268 0.000 0.850 235 Q CB -0.272 28.384 28.738 -0.137 0.000 0.901 235 Q HN 0.604 nan 8.270 nan 0.000 0.422 236 S N 0.711 116.233 115.700 -0.298 0.000 2.383 236 S HA -0.071 4.398 4.470 -0.000 0.000 0.227 236 S C 1.525 175.862 174.600 -0.438 0.000 1.026 236 S CA 0.858 58.892 58.200 -0.277 0.000 0.981 236 S CB -0.138 62.973 63.200 -0.148 0.000 0.818 236 S HN 0.378 nan 8.310 nan 0.000 0.472 237 N N 1.071 119.334 118.700 -0.728 0.000 2.354 237 N HA 0.129 4.869 4.740 -0.000 0.000 0.179 237 N C 1.595 176.590 175.510 -0.859 0.000 1.021 237 N CA 0.498 53.021 53.050 -0.877 0.000 0.887 237 N CB -0.123 37.602 38.487 -1.271 0.000 0.974 237 N HN 0.322 nan 8.380 nan 0.000 0.437 238 L N 0.559 121.249 121.223 -0.889 0.000 2.056 238 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 238 L C 0.846 177.533 176.870 -0.305 0.000 1.078 238 L CA 1.153 55.665 54.840 -0.547 0.000 0.749 238 L CB 0.099 41.885 42.059 -0.456 0.000 0.901 238 L HN -0.079 nan 8.230 nan 0.000 0.433 239 K N -0.654 119.576 120.400 -0.284 0.000 2.954 239 K HA 0.198 4.518 4.320 -0.000 0.000 0.171 239 K C -1.893 174.611 176.600 -0.160 0.000 1.079 239 K CA -1.165 55.010 56.287 -0.186 0.000 0.908 239 K CB 1.260 33.667 32.500 -0.156 0.000 1.142 239 K HN -0.092 nan 8.250 nan 0.000 0.613 240 P HA -0.149 nan 4.420 nan 0.000 0.220 240 P C 1.103 178.355 177.300 -0.079 0.000 1.148 240 P CA 0.905 63.933 63.100 -0.119 0.000 0.803 240 P CB 0.252 31.888 31.700 -0.107 0.000 0.782 241 L N -0.380 120.797 121.223 -0.075 0.000 2.362 241 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 241 L C 1.712 178.551 176.870 -0.052 0.000 1.134 241 L CA 1.072 55.878 54.840 -0.057 0.000 0.807 241 L CB -0.847 41.179 42.059 -0.054 0.000 0.927 241 L HN -0.081 nan 8.230 nan 0.000 0.447 242 D N -0.061 120.302 120.400 -0.062 0.000 2.347 242 D HA 0.030 4.670 4.640 -0.000 0.000 0.215 242 D C 0.855 177.131 176.300 -0.041 0.000 0.976 242 D CA 0.524 54.493 54.000 -0.052 0.000 0.884 242 D CB 0.251 41.014 40.800 -0.062 0.000 0.915 242 D HN 0.084 nan 8.370 nan 0.000 0.526 243 I N 2.110 122.656 120.570 -0.040 0.000 2.452 243 I HA -0.006 4.164 4.170 -0.000 0.000 0.287 243 I C 1.361 177.468 176.117 -0.017 0.000 1.079 243 I CA -0.062 61.224 61.300 -0.024 0.000 1.387 243 I CB 0.693 38.681 38.000 -0.019 0.000 1.404 243 I HN -0.145 nan 8.210 nan 0.000 0.522 244 N N 4.350 123.043 118.700 -0.012 0.000 2.270 244 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 244 N C 0.215 175.719 175.510 -0.009 0.000 1.016 244 N CA 0.763 53.806 53.050 -0.011 0.000 0.870 244 N CB 0.134 38.614 38.487 -0.011 0.000 0.979 244 N HN 0.545 nan 8.380 nan 0.000 0.431 245 E N 1.229 121.427 120.200 -0.004 0.000 2.159 245 E HA 0.074 4.424 4.350 -0.000 0.000 0.272 245 E C 0.781 177.380 176.600 -0.002 0.000 1.138 245 E CA 0.070 56.468 56.400 -0.003 0.000 0.915 245 E CB 0.737 30.437 29.700 0.000 0.000 1.028 245 E HN 0.144 nan 8.360 nan 0.000 0.423 246 K N 1.206 121.603 120.400 -0.005 0.000 2.057 246 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 246 K C 1.976 178.577 176.600 0.001 0.000 1.049 246 K CA 1.844 58.128 56.287 -0.004 0.000 0.931 246 K CB -0.153 32.344 32.500 -0.006 0.000 0.714 246 K HN 0.593 nan 8.250 nan 0.000 0.440 247 T N 0.102 114.657 114.554 0.002 0.000 2.867 247 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 247 T C 1.837 176.547 174.700 0.017 0.000 1.057 247 T CA 0.758 62.862 62.100 0.007 0.000 1.136 247 T CB -0.172 68.697 68.868 0.000 0.000 0.874 247 T HN 0.031 nan 8.240 nan 0.000 0.466 248 L N 1.259 122.493 121.223 0.018 0.000 2.072 248 L HA 0.117 4.457 4.340 -0.000 0.000 0.205 248 L C 2.812 179.701 176.870 0.032 0.000 1.079 248 L CA 1.807 56.669 54.840 0.036 0.000 0.752 248 L CB -1.084 41.000 42.059 0.042 0.000 0.906 248 L HN 0.426 nan 8.230 nan 0.000 0.436 249 Q N -0.778 119.029 119.800 0.012 0.000 2.045 249 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 249 Q C 2.154 178.154 176.000 0.001 0.000 0.991 249 Q CA 2.442 58.242 55.803 -0.005 0.000 0.851 249 Q CB -0.189 28.541 28.738 -0.014 0.000 0.911 249 Q HN 0.659 nan 8.270 nan 0.000 0.418 250 Q N -0.533 119.274 119.800 0.011 0.000 2.119 250 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 250 Q C 2.093 178.118 176.000 0.042 0.000 0.972 250 Q CA 1.227 57.041 55.803 0.019 0.000 0.847 250 Q CB -0.283 28.466 28.738 0.019 0.000 0.903 250 Q HN 0.601 nan 8.270 nan 0.000 0.433 251 G N 0.930 109.762 108.800 0.054 0.000 2.440 251 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 251 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 251 G C 1.398 176.364 174.900 0.111 0.000 1.154 251 G CA 0.704 45.857 45.100 0.088 0.000 0.767 251 G HN 0.239 nan 8.290 nan 0.000 0.552 252 I N 0.230 120.846 120.570 0.078 0.000 2.226 252 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 252 I C 3.055 179.203 176.117 0.051 0.000 1.100 252 I CA 1.232 62.566 61.300 0.057 0.000 1.374 252 I CB -0.258 37.716 38.000 -0.043 0.000 1.057 252 I HN 0.246 nan 8.210 nan 0.000 0.413 253 Q N 0.421 120.236 119.800 0.024 0.000 2.084 253 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 253 Q C 2.386 178.418 176.000 0.054 0.000 0.978 253 Q CA 1.395 57.206 55.803 0.013 0.000 0.844 253 Q CB -0.162 28.573 28.738 -0.006 0.000 0.898 253 Q HN 0.526 nan 8.270 nan 0.000 0.426 254 L N 0.023 121.302 121.223 0.094 0.000 2.083 254 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 254 L C 2.400 179.424 176.870 0.258 0.000 1.083 254 L CA 0.879 55.812 54.840 0.156 0.000 0.752 254 L CB -0.514 41.644 42.059 0.165 0.000 0.899 254 L HN 0.216 nan 8.230 nan 0.000 0.433 255 A N -0.882 122.091 122.820 0.254 0.000 2.066 255 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 255 A C 2.047 179.866 177.584 0.390 0.000 1.157 255 A CA 1.015 53.261 52.037 0.347 0.000 0.670 255 A CB -0.211 19.023 19.000 0.390 0.000 0.804 255 A HN 0.478 nan 8.150 nan 0.000 0.453 256 Q N 0.005 119.948 119.800 0.237 0.000 2.319 256 Q HA 0.187 4.527 4.340 -0.000 0.000 0.202 256 Q C -0.068 175.956 176.000 0.040 0.000 0.896 256 Q CA -0.318 55.563 55.803 0.130 0.000 0.942 256 Q CB 0.387 29.122 28.738 -0.005 0.000 1.083 256 Q HN 0.492 nan 8.270 nan 0.000 0.510 257 S N 0.949 116.654 115.700 0.009 0.000 2.579 257 S HA 0.198 4.668 4.470 -0.000 0.000 0.275 257 S C 0.071 174.471 174.600 -0.332 0.000 1.345 257 S CA -0.085 57.969 58.200 -0.243 0.000 1.031 257 S CB 0.535 63.473 63.200 -0.437 0.000 0.892 257 S HN 0.231 nan 8.310 nan 0.000 0.529 258 R N 1.475 121.741 120.500 -0.390 0.000 2.215 258 R HA 0.258 4.598 4.340 -0.000 0.000 0.337 258 R C -0.407 175.707 176.300 -0.310 0.000 1.010 258 R CA -0.165 55.816 56.100 -0.197 0.000 0.871 258 R CB 0.434 30.613 30.300 -0.202 0.000 1.134 258 R HN 0.679 nan 8.270 nan 0.000 0.477 259 Y N 0.618 120.919 120.300 0.001 0.000 2.479 259 Y HA 0.146 4.696 4.550 -0.000 0.000 0.283 259 Y C 0.124 175.715 175.900 -0.516 0.000 1.109 259 Y CA 0.347 58.285 58.100 -0.269 0.000 1.239 259 Y CB 0.551 38.861 38.460 -0.250 0.000 1.108 259 Y HN 0.454 nan 8.280 nan 0.000 0.548 260 W N -0.265 121.203 121.300 0.281 0.000 3.107 260 W HA 0.544 5.204 4.660 0.000 0.000 0.331 260 W C -0.911 175.726 176.519 0.197 0.000 1.204 260 W CA -0.990 56.478 57.345 0.205 0.000 1.184 260 W CB 1.118 30.682 29.460 0.173 0.000 1.421 260 W HN -0.458 nan 8.180 nan 0.000 0.544 261 Q N 1.671 121.687 119.800 0.360 0.000 2.337 261 Q HA 0.668 5.008 4.340 -0.000 0.000 0.266 261 Q C -0.739 175.299 176.000 0.062 0.000 1.023 261 Q CA -0.517 55.340 55.803 0.090 0.000 0.829 261 Q CB 2.135 30.865 28.738 -0.013 0.000 1.306 261 Q HN 0.503 nan 8.270 nan 0.000 0.449 262 T N 0.781 115.319 114.554 -0.027 0.000 2.881 262 T HA 0.684 5.034 4.350 -0.000 0.000 0.290 262 T C 0.666 175.314 174.700 -0.086 0.000 1.000 262 T CA 0.284 62.365 62.100 -0.032 0.000 0.978 262 T CB 1.425 70.290 68.868 -0.005 0.000 0.997 262 T HN 0.977 nan 8.240 nan 0.000 0.443 263 G N 4.619 113.373 108.800 -0.077 0.000 2.651 263 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.315 263 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.315 263 G C 0.462 175.277 174.900 -0.141 0.000 1.258 263 G CA 0.876 45.925 45.100 -0.085 0.000 1.002 263 G HN 1.219 nan 8.290 nan 0.000 0.551 264 D N -0.124 120.200 120.400 -0.127 0.000 2.328 264 D HA 0.251 4.891 4.640 -0.000 0.000 0.221 264 D C 1.135 177.307 176.300 -0.214 0.000 1.072 264 D CA 0.364 54.275 54.000 -0.148 0.000 0.850 264 D CB 0.114 40.872 40.800 -0.070 0.000 0.922 264 D HN 0.444 nan 8.370 nan 0.000 0.516 265 M N 0.907 120.370 119.600 -0.227 0.000 2.336 265 M HA 0.362 4.842 4.480 -0.000 0.000 0.342 265 M C -1.739 174.419 176.300 -0.238 0.000 1.128 265 M CA -0.620 54.619 55.300 -0.102 0.000 1.016 265 M CB 1.575 34.216 32.600 0.068 0.000 1.665 265 M HN -0.177 nan 8.290 nan 0.000 0.445 266 Y N 1.950 122.363 120.300 0.189 0.000 2.377 266 Y HA 0.414 4.964 4.550 -0.000 0.000 0.339 266 Y C -0.107 175.957 175.900 0.272 0.000 1.011 266 Y CA -0.625 57.599 58.100 0.207 0.000 1.093 266 Y CB 1.420 39.969 38.460 0.148 0.000 1.201 266 Y HN 0.556 nan 8.280 nan 0.000 0.455 267 Q N 1.898 121.981 119.800 0.472 0.000 2.303 267 Q HA 0.560 4.900 4.340 -0.000 0.000 0.257 267 Q C -0.027 176.271 176.000 0.497 0.000 0.941 267 Q CA -0.283 55.799 55.803 0.464 0.000 0.931 267 Q CB 1.229 30.252 28.738 0.475 0.000 1.215 267 Q HN 0.893 nan 8.270 nan 0.000 0.437 268 G N 2.745 111.812 108.800 0.446 0.000 2.641 268 G HA2 0.477 4.437 3.960 -0.000 0.000 0.239 268 G HA3 0.477 4.437 3.960 -0.000 0.000 0.239 268 G C -0.893 174.191 174.900 0.306 0.000 1.402 268 G CA -0.838 44.548 45.100 0.477 0.000 1.046 268 G HN 0.605 nan 8.290 nan 0.000 0.565 269 L N 1.104 122.480 121.223 0.255 0.000 2.270 269 L HA 0.453 4.793 4.340 -0.000 0.000 0.286 269 L C 1.398 178.327 176.870 0.097 0.000 1.059 269 L CA 0.433 55.299 54.840 0.043 0.000 0.839 269 L CB 0.437 42.509 42.059 0.021 0.000 1.221 269 L HN 1.034 nan 8.230 nan 0.000 0.431 270 G N 2.076 110.900 108.800 0.039 0.000 4.039 270 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G C 0.026 174.969 174.900 0.072 0.000 1.391 270 G CA -0.150 44.962 45.100 0.020 0.000 0.920 270 G HN 0.528 nan 8.290 nan 0.000 0.599 271 W N 2.579 124.016 121.300 0.229 0.000 2.170 271 W HA 0.532 5.192 4.660 -0.000 0.000 0.342 271 W C 0.869 177.541 176.519 0.255 0.000 1.294 271 W CA -0.094 57.383 57.345 0.219 0.000 1.246 271 W CB 0.347 29.908 29.460 0.168 0.000 1.156 271 W HN 0.346 nan 8.180 nan 0.000 0.572 272 E N 1.878 122.431 120.200 0.589 0.000 2.227 272 E HA 0.590 4.940 4.350 -0.000 0.000 0.268 272 E C -0.793 176.120 176.600 0.521 0.000 0.907 272 E CA -1.140 55.576 56.400 0.526 0.000 0.786 272 E CB 1.672 31.670 29.700 0.497 0.000 1.191 272 E HN 0.198 nan 8.360 nan 0.000 0.411 273 M N 2.050 121.905 119.600 0.425 0.000 2.501 273 M HA 0.457 4.936 4.480 -0.000 0.000 0.293 273 M C -1.568 174.965 176.300 0.389 0.000 1.192 273 M CA -0.345 55.145 55.300 0.316 0.000 0.886 273 M CB 1.812 34.537 32.600 0.208 0.000 1.710 273 M HN 0.296 nan 8.290 nan 0.000 0.457 274 L N 0.550 121.966 121.223 0.321 0.000 2.393 274 L HA 0.570 4.910 4.340 -0.000 0.000 0.260 274 L C -0.775 176.276 176.870 0.300 0.000 1.002 274 L CA -0.753 54.285 54.840 0.331 0.000 0.818 274 L CB 1.838 44.004 42.059 0.178 0.000 1.369 274 L HN 0.544 nan 8.230 nan 0.000 0.412 275 D N 0.862 121.435 120.400 0.288 0.000 2.443 275 D HA -0.034 4.606 4.640 -0.000 0.000 0.239 275 D C -0.916 175.528 176.300 0.240 0.000 1.136 275 D CA 0.275 54.403 54.000 0.213 0.000 0.879 275 D CB 1.056 41.953 40.800 0.162 0.000 1.195 275 D HN 0.361 nan 8.370 nan 0.000 0.443 276 W N 4.630 125.986 121.300 0.092 0.000 2.433 276 W HA 0.282 4.942 4.660 -0.000 0.000 0.315 276 W C -2.383 174.182 176.519 0.078 0.000 1.087 276 W CA -1.905 55.508 57.345 0.113 0.000 1.205 276 W CB 1.249 30.789 29.460 0.133 0.000 1.288 276 W HN 0.228 nan 8.180 nan 0.000 0.504 277 P HA 0.151 nan 4.420 nan 0.000 0.275 277 P C -0.614 176.391 177.300 -0.492 0.000 1.228 277 P CA 0.007 62.383 63.100 -1.205 0.000 0.786 277 P CB 1.730 32.891 31.700 -0.898 0.000 0.927 278 V N 1.559 121.218 119.914 -0.426 0.000 2.837 278 V HA 0.306 4.426 4.120 -0.000 0.000 0.310 278 V C 0.815 176.729 176.094 -0.300 0.000 1.059 278 V CA -0.979 61.180 62.300 -0.234 0.000 1.004 278 V CB 1.100 32.786 31.823 -0.228 0.000 1.045 278 V HN 0.604 nan 8.190 nan 0.000 0.465 279 N N 3.723 122.255 118.700 -0.280 0.000 2.401 279 N HA 0.202 4.942 4.740 -0.000 0.000 0.255 279 N C -1.555 173.671 175.510 -0.473 0.000 1.110 279 N CA -1.828 51.032 53.050 -0.316 0.000 0.949 279 N CB 1.724 40.077 38.487 -0.224 0.000 1.110 279 N HN 0.354 nan 8.380 nan 0.000 0.490 280 P HA -0.105 nan 4.420 nan 0.000 0.216 280 P C 0.467 177.392 177.300 -0.625 0.000 1.150 280 P CA 1.087 63.551 63.100 -1.060 0.000 0.837 280 P CB 0.501 31.062 31.700 -1.897 0.000 0.786 281 D N -0.400 119.727 120.400 -0.453 0.000 2.144 281 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 281 D C 2.178 178.341 176.300 -0.229 0.000 0.984 281 D CA 1.244 55.069 54.000 -0.291 0.000 0.834 281 D CB -0.749 39.920 40.800 -0.218 0.000 0.955 281 D HN 0.159 nan 8.370 nan 0.000 0.465 282 S N 0.593 116.155 115.700 -0.230 0.000 2.348 282 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 282 S C 2.228 176.741 174.600 -0.145 0.000 1.033 282 S CA 1.316 59.416 58.200 -0.167 0.000 1.010 282 S CB -0.309 62.798 63.200 -0.156 0.000 0.891 282 S HN 0.405 nan 8.310 nan 0.000 0.442 283 I N -0.748 119.700 120.570 -0.203 0.000 2.315 283 I HA -0.022 4.148 4.170 -0.000 0.000 0.248 283 I C 2.140 178.216 176.117 -0.069 0.000 1.117 283 I CA 1.236 62.466 61.300 -0.117 0.000 1.404 283 I CB -0.577 37.275 38.000 -0.247 0.000 1.071 283 I HN 0.248 nan 8.210 nan 0.000 0.419 284 I N 2.049 122.526 120.570 -0.155 0.000 2.113 284 I HA -0.256 3.914 4.170 -0.000 0.000 0.238 284 I C 2.391 178.456 176.117 -0.088 0.000 1.070 284 I CA 1.624 62.853 61.300 -0.119 0.000 1.332 284 I CB -0.720 37.187 38.000 -0.156 0.000 1.044 284 I HN 0.290 nan 8.210 nan 0.000 0.402 285 N N 1.122 119.764 118.700 -0.097 0.000 2.120 285 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 285 N C 1.897 177.373 175.510 -0.056 0.000 1.024 285 N CA 1.597 54.602 53.050 -0.074 0.000 0.852 285 N CB -0.825 37.614 38.487 -0.079 0.000 1.003 285 N HN 0.439 nan 8.380 nan 0.000 0.424 286 G N 0.337 109.109 108.800 -0.047 0.000 2.470 286 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 286 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 286 G C 1.617 176.508 174.900 -0.014 0.000 1.121 286 G CA 1.288 46.375 45.100 -0.021 0.000 0.766 286 G HN 0.512 nan 8.290 nan 0.000 0.553 287 S N -0.258 115.432 115.700 -0.016 0.000 2.489 287 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 287 S C 0.869 175.424 174.600 -0.076 0.000 0.995 287 S CA 0.161 58.338 58.200 -0.039 0.000 0.934 287 S CB -0.073 63.100 63.200 -0.045 0.000 0.771 287 S HN 0.295 nan 8.310 nan 0.000 0.522 288 D N 2.183 122.543 120.400 -0.066 0.000 2.493 288 D HA 0.037 4.677 4.640 -0.000 0.000 0.240 288 D C 0.429 176.687 176.300 -0.071 0.000 1.142 288 D CA 0.108 54.069 54.000 -0.065 0.000 0.872 288 D CB 0.462 41.231 40.800 -0.051 0.000 1.173 288 D HN 0.118 nan 8.370 nan 0.000 0.467 289 N N 3.262 121.917 118.700 -0.075 0.000 2.348 289 N HA -0.194 4.546 4.740 -0.000 0.000 0.185 289 N C 1.637 177.116 175.510 -0.053 0.000 1.019 289 N CA 0.761 53.763 53.050 -0.079 0.000 0.880 289 N CB -0.101 38.344 38.487 -0.069 0.000 0.965 289 N HN 0.652 nan 8.380 nan 0.000 0.437 290 K N 0.440 120.817 120.400 -0.039 0.000 2.147 290 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 290 K C 1.768 178.352 176.600 -0.026 0.000 1.049 290 K CA 1.036 57.309 56.287 -0.025 0.000 0.936 290 K CB -0.110 32.378 32.500 -0.020 0.000 0.722 290 K HN 0.169 nan 8.250 nan 0.000 0.446 291 I N 1.181 121.728 120.570 -0.038 0.000 2.512 291 I HA -0.035 4.135 4.170 -0.000 0.000 0.247 291 I C 2.613 178.701 176.117 -0.048 0.000 1.094 291 I CA 0.638 61.915 61.300 -0.037 0.000 1.427 291 I CB -0.224 37.753 38.000 -0.038 0.000 1.149 291 I HN 0.224 nan 8.210 nan 0.000 0.438 292 A N 0.883 123.658 122.820 -0.076 0.000 2.019 292 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 292 A C 2.087 179.581 177.584 -0.150 0.000 1.164 292 A CA 1.316 53.276 52.037 -0.129 0.000 0.644 292 A CB -0.609 18.274 19.000 -0.195 0.000 0.805 292 A HN 0.434 nan 8.150 nan 0.000 0.449 293 L N -1.023 120.144 121.223 -0.094 0.000 2.607 293 L HA 0.272 4.612 4.340 -0.000 0.000 0.228 293 L C 1.053 177.939 176.870 0.027 0.000 1.123 293 L CA -0.105 54.721 54.840 -0.025 0.000 0.890 293 L CB -0.217 41.836 42.059 -0.009 0.000 1.103 293 L HN 0.359 nan 8.230 nan 0.000 0.468 294 A N 0.665 123.489 122.820 0.007 0.000 2.316 294 A HA 0.699 5.018 4.320 -0.000 0.000 0.284 294 A C 0.423 178.008 177.584 0.003 0.000 1.115 294 A CA -0.288 51.761 52.037 0.019 0.000 0.812 294 A CB 0.591 19.592 19.000 0.002 0.000 1.064 294 A HN 0.183 nan 8.150 nan 0.000 0.489 295 A N 2.280 125.101 122.820 0.000 0.000 2.511 295 A HA 0.537 4.857 4.320 -0.000 0.000 0.242 295 A C 0.359 177.843 177.584 -0.166 0.000 1.069 295 A CA 0.087 52.045 52.037 -0.131 0.000 0.763 295 A CB 0.059 18.905 19.000 -0.258 0.000 1.001 295 A HN 0.731 nan 8.150 nan 0.000 0.498 296 R N 2.181 122.559 120.500 -0.203 0.000 2.621 296 R HA 0.461 4.801 4.340 -0.000 0.000 0.284 296 R C -3.165 173.006 176.300 -0.214 0.000 0.998 296 R CA -2.066 53.935 56.100 -0.165 0.000 0.895 296 R CB 1.938 32.185 30.300 -0.088 0.000 1.195 296 R HN 0.500 nan 8.270 nan 0.000 0.450 297 P HA 0.080 nan 4.420 nan 0.000 0.271 297 P C -0.142 177.101 177.300 -0.095 0.000 1.216 297 P CA -0.275 62.722 63.100 -0.171 0.000 0.776 297 P CB 0.763 32.390 31.700 -0.120 0.000 0.881 298 V N 0.028 119.893 119.914 -0.082 0.000 2.581 298 V HA 0.546 4.666 4.120 -0.000 0.000 0.303 298 V C -0.028 176.174 176.094 0.180 0.000 1.041 298 V CA -1.099 61.226 62.300 0.042 0.000 0.907 298 V CB 1.726 33.508 31.823 -0.068 0.000 0.994 298 V HN 0.415 nan 8.190 nan 0.000 0.442 299 K N 3.279 123.827 120.400 0.247 0.000 2.234 299 K HA 0.739 5.058 4.320 -0.000 0.000 0.277 299 K C 0.151 176.982 176.600 0.386 0.000 1.038 299 K CA -0.291 56.150 56.287 0.257 0.000 0.888 299 K CB 1.330 33.921 32.500 0.152 0.000 1.091 299 K HN 1.153 nan 8.250 nan 0.000 0.467 300 A N 5.180 128.209 122.820 0.348 0.000 2.477 300 A HA 0.246 4.566 4.320 -0.000 0.000 0.246 300 A C -0.084 177.473 177.584 -0.045 0.000 1.078 300 A CA -0.215 51.836 52.037 0.023 0.000 0.770 300 A CB -0.083 18.894 19.000 -0.038 0.000 1.011 300 A HN 0.814 nan 8.150 nan 0.000 0.494 301 I N 2.699 123.166 120.570 -0.171 0.000 2.307 301 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 301 I C -0.177 175.850 176.117 -0.150 0.000 1.054 301 I CA 0.140 61.382 61.300 -0.098 0.000 1.218 301 I CB 1.161 39.122 38.000 -0.066 0.000 1.398 301 I HN 0.517 nan 8.210 nan 0.000 0.475 302 T N 6.516 121.015 114.554 -0.092 0.000 2.963 302 T HA 0.403 4.753 4.350 -0.000 0.000 0.343 302 T C -1.789 172.876 174.700 -0.058 0.000 1.146 302 T CA -0.948 61.103 62.100 -0.082 0.000 1.016 302 T CB 0.742 69.579 68.868 -0.050 0.000 1.046 302 T HN 0.433 nan 8.240 nan 0.000 0.496 303 P HA 0.543 nan 4.420 nan 0.000 0.280 303 P C -3.028 174.189 177.300 -0.138 0.000 1.272 303 P CA -2.126 60.919 63.100 -0.091 0.000 0.819 303 P CB 0.012 31.671 31.700 -0.068 0.000 1.122 304 P HA 0.064 nan 4.420 nan 0.000 0.266 304 P C -0.292 176.848 177.300 -0.266 0.000 1.195 304 P CA 0.392 63.298 63.100 -0.322 0.000 0.768 304 P CB -0.063 31.284 31.700 -0.588 0.000 0.838 305 T N 5.464 119.862 114.554 -0.259 0.000 2.870 305 T HA 0.230 4.580 4.350 -0.000 0.000 0.300 305 T C -2.068 172.498 174.700 -0.224 0.000 0.989 305 T CA -0.952 61.022 62.100 -0.210 0.000 1.139 305 T CB -0.211 68.529 68.868 -0.214 0.000 0.920 305 T HN 0.286 nan 8.240 nan 0.000 0.537 306 P HA 0.207 nan 4.420 nan 0.000 0.271 306 P C -0.550 176.670 177.300 -0.133 0.000 1.233 306 P CA -0.527 62.491 63.100 -0.137 0.000 0.789 306 P CB 0.280 31.923 31.700 -0.095 0.000 0.951 307 A N 1.802 124.558 122.820 -0.106 0.000 2.573 307 A HA 0.089 4.409 4.320 -0.000 0.000 0.250 307 A C 0.116 177.642 177.584 -0.096 0.000 1.049 307 A CA 0.243 52.223 52.037 -0.094 0.000 0.767 307 A CB -0.828 18.131 19.000 -0.069 0.000 0.965 307 A HN 0.356 nan 8.150 nan 0.000 0.514 308 V N 6.145 125.994 119.914 -0.108 0.000 2.406 308 V HA 0.143 4.263 4.120 -0.000 0.000 0.272 308 V C 1.480 177.532 176.094 -0.070 0.000 1.043 308 V CA -0.543 61.701 62.300 -0.094 0.000 0.915 308 V CB 1.001 32.751 31.823 -0.121 0.000 0.988 308 V HN 1.035 nan 8.190 nan 0.000 0.466 309 R N 3.760 124.228 120.500 -0.054 0.000 2.081 309 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 309 R C 1.314 177.594 176.300 -0.033 0.000 1.131 309 R CA 1.358 57.427 56.100 -0.051 0.000 0.960 309 R CB -0.258 30.015 30.300 -0.045 0.000 0.856 309 R HN 0.719 nan 8.270 nan 0.000 0.436 310 A N 1.970 124.801 122.820 0.018 0.000 3.063 310 A HA 0.260 4.580 4.320 -0.000 0.000 0.263 310 A C -0.457 177.225 177.584 0.165 0.000 1.736 310 A CA 0.053 52.160 52.037 0.117 0.000 1.408 310 A CB -0.044 19.048 19.000 0.153 0.000 1.108 310 A HN 0.049 nan 8.150 nan 0.000 0.621 311 S N 0.645 116.404 115.700 0.100 0.000 2.536 311 S HA 0.469 4.939 4.470 -0.000 0.000 0.287 311 S C -0.936 173.726 174.600 0.103 0.000 1.101 311 S CA -0.572 57.695 58.200 0.112 0.000 0.950 311 S CB 1.140 64.320 63.200 -0.034 0.000 1.056 311 S HN 0.682 nan 8.310 nan 0.000 0.481 312 W N 4.549 125.870 121.300 0.034 0.000 2.342 312 W HA 0.529 5.189 4.660 -0.000 0.000 0.310 312 W C -1.730 174.637 176.519 -0.253 0.000 1.128 312 W CA -0.464 56.834 57.345 -0.079 0.000 1.322 312 W CB 0.519 30.042 29.460 0.104 0.000 1.251 312 W HN 0.337 nan 8.180 nan 0.000 0.439 313 V N 7.627 127.095 119.914 -0.743 0.000 2.417 313 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 313 V C -0.095 175.591 176.094 -0.680 0.000 1.024 313 V CA -0.409 61.415 62.300 -0.793 0.000 0.861 313 V CB 1.273 32.108 31.823 -1.646 0.000 0.985 313 V HN 0.661 nan 8.190 nan 0.000 0.436 314 H N 2.449 121.456 119.070 -0.105 0.000 2.981 314 H HA 0.892 5.448 4.556 -0.000 0.000 0.327 314 H C -1.341 174.257 175.328 0.450 0.000 1.342 314 H CA -1.270 54.851 56.048 0.121 0.000 1.123 314 H CB 2.215 32.071 29.762 0.156 0.000 1.851 314 H HN 0.439 nan 8.280 nan 0.000 0.531 315 K N 1.349 121.892 120.400 0.237 0.000 2.571 315 K HA 0.255 4.575 4.320 -0.000 0.000 0.252 315 K C -1.336 175.389 176.600 0.209 0.000 0.956 315 K CA -0.107 56.261 56.287 0.134 0.000 0.822 315 K CB 2.068 34.624 32.500 0.095 0.000 1.286 315 K HN 0.899 nan 8.250 nan 0.000 0.439 316 T N 0.040 114.722 114.554 0.213 0.000 2.913 316 T HA 0.850 5.200 4.350 -0.000 0.000 0.287 316 T C 0.346 175.140 174.700 0.157 0.000 1.008 316 T CA -0.440 61.813 62.100 0.255 0.000 1.067 316 T CB 1.558 70.481 68.868 0.092 0.000 0.996 316 T HN 0.634 nan 8.240 nan 0.000 0.513 317 G N -0.433 108.463 108.800 0.160 0.000 2.742 317 G HA2 0.735 4.695 3.960 -0.000 0.000 0.296 317 G HA3 0.735 4.695 3.960 -0.000 0.000 0.296 317 G C -1.524 173.462 174.900 0.144 0.000 1.436 317 G CA -0.564 44.629 45.100 0.155 0.000 0.928 317 G HN 1.115 nan 8.290 nan 0.000 0.520 318 A N 0.379 123.280 122.820 0.136 0.000 2.587 318 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 318 A C 0.043 177.714 177.584 0.145 0.000 1.087 318 A CA 0.061 52.186 52.037 0.146 0.000 0.692 318 A CB 1.741 20.793 19.000 0.086 0.000 1.291 318 A HN 1.856 nan 8.150 nan 0.000 0.407 319 T N -2.212 112.466 114.554 0.207 0.000 2.773 319 T HA 0.618 4.968 4.350 -0.000 0.000 0.278 319 T C 1.377 176.186 174.700 0.182 0.000 1.011 319 T CA 0.142 62.343 62.100 0.169 0.000 1.014 319 T CB 0.968 69.978 68.868 0.237 0.000 1.293 319 T HN 1.603 nan 8.240 nan 0.000 0.554 320 G N -0.002 108.884 108.800 0.144 0.000 2.505 320 G HA2 0.009 3.969 3.960 -0.000 0.000 0.220 320 G HA3 0.009 3.969 3.960 -0.000 0.000 0.220 320 G C 1.224 176.215 174.900 0.151 0.000 1.145 320 G CA 0.827 46.001 45.100 0.124 0.000 0.761 320 G HN 1.189 nan 8.290 nan 0.000 0.571 321 G N -1.530 107.408 108.800 0.230 0.000 3.159 321 G HA2 0.478 4.438 3.960 -0.000 0.000 0.232 321 G HA3 0.478 4.438 3.960 -0.000 0.000 0.232 321 G C -0.315 174.554 174.900 -0.051 0.000 1.116 321 G CA -0.457 44.700 45.100 0.094 0.000 0.767 321 G HN 0.227 nan 8.290 nan 0.000 0.547 322 F N -0.830 119.249 119.950 0.215 0.000 2.626 322 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 322 F C 0.232 176.161 175.800 0.216 0.000 1.088 322 F CA -1.082 57.082 58.000 0.272 0.000 0.949 322 F CB 2.383 41.567 39.000 0.306 0.000 1.322 322 F HN 0.006 nan 8.300 nan 0.000 0.461 323 G N 0.823 109.884 108.800 0.436 0.000 2.739 323 G HA2 0.581 4.541 3.960 -0.000 0.000 0.291 323 G HA3 0.581 4.541 3.960 -0.000 0.000 0.291 323 G C -1.697 173.358 174.900 0.258 0.000 1.478 323 G CA -0.601 44.637 45.100 0.230 0.000 1.062 323 G HN 0.564 nan 8.290 nan 0.000 0.532 324 S N 0.282 116.110 115.700 0.213 0.000 2.599 324 S HA 0.820 5.290 4.470 -0.000 0.000 0.294 324 S C -1.688 173.093 174.600 0.301 0.000 1.094 324 S CA -0.689 57.659 58.200 0.246 0.000 0.931 324 S CB 2.113 65.454 63.200 0.235 0.000 1.093 324 S HN 0.713 nan 8.310 nan 0.000 0.488 325 Y N 0.440 120.840 120.300 0.167 0.000 2.482 325 Y HA 0.596 5.146 4.550 -0.000 0.000 0.334 325 Y C -1.906 174.142 175.900 0.247 0.000 1.091 325 Y CA -0.762 57.453 58.100 0.192 0.000 1.027 325 Y CB 1.025 39.598 38.460 0.187 0.000 1.306 325 Y HN 0.495 nan 8.280 nan 0.000 0.446 326 V N 4.476 124.248 119.914 -0.237 0.000 2.638 326 V HA 0.980 5.100 4.120 -0.000 0.000 0.306 326 V C -0.841 175.023 176.094 -0.383 0.000 1.052 326 V CA -0.272 61.964 62.300 -0.106 0.000 0.885 326 V CB 1.479 33.486 31.823 0.308 0.000 0.999 326 V HN 1.009 nan 8.190 nan 0.000 0.424 327 A N 4.608 127.228 122.820 -0.333 0.000 2.520 327 A HA 1.031 5.351 4.320 -0.000 0.000 0.298 327 A C -1.307 176.002 177.584 -0.459 0.000 1.051 327 A CA -0.505 51.201 52.037 -0.551 0.000 0.690 327 A CB 1.817 20.375 19.000 -0.736 0.000 1.281 327 A HN 1.428 nan 8.150 nan 0.000 0.402 328 F N -0.801 118.696 119.950 -0.756 0.000 2.686 328 F HA 0.841 5.367 4.527 -0.000 0.000 0.311 328 F C -1.389 174.032 175.800 -0.631 0.000 1.128 328 F CA -1.306 56.317 58.000 -0.628 0.000 0.946 328 F CB 1.301 40.003 39.000 -0.496 0.000 1.336 328 F HN 0.302 nan 8.300 nan 0.000 0.457 329 I N 2.099 122.462 120.570 -0.345 0.000 2.521 329 I HA 0.317 4.487 4.170 -0.000 0.000 0.277 329 I C -2.191 173.791 176.117 -0.224 0.000 1.054 329 I CA -1.786 59.272 61.300 -0.404 0.000 1.117 329 I CB 1.771 39.356 38.000 -0.692 0.000 1.217 329 I HN 0.362 nan 8.210 nan 0.000 0.469 330 P HA -0.225 nan 4.420 nan 0.000 0.216 330 P C 1.450 178.673 177.300 -0.128 0.000 1.153 330 P CA 1.305 64.356 63.100 -0.081 0.000 0.858 330 P CB 0.340 32.006 31.700 -0.055 0.000 0.789 331 E N -0.238 119.878 120.200 -0.140 0.000 2.160 331 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 331 E C 1.245 177.760 176.600 -0.143 0.000 0.991 331 E CA 1.085 57.415 56.400 -0.117 0.000 0.810 331 E CB -0.074 29.579 29.700 -0.079 0.000 0.742 331 E HN 0.067 nan 8.360 nan 0.000 0.466 332 K N 0.205 120.474 120.400 -0.217 0.000 2.374 332 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 332 K C -0.274 176.200 176.600 -0.209 0.000 1.023 332 K CA 0.324 56.481 56.287 -0.217 0.000 1.103 332 K CB 0.489 32.807 32.500 -0.305 0.000 0.848 332 K HN 0.193 nan 8.250 nan 0.000 0.528 333 E N 0.721 120.807 120.200 -0.190 0.000 2.360 333 E HA -0.232 4.118 4.350 -0.000 0.000 0.238 333 E C -0.612 175.882 176.600 -0.178 0.000 1.186 333 E CA 0.223 56.514 56.400 -0.181 0.000 0.719 333 E CB -1.570 28.022 29.700 -0.181 0.000 1.236 333 E HN 0.036 nan 8.360 nan 0.000 0.386 334 L N -0.224 120.895 121.223 -0.173 0.000 2.386 334 L HA 0.820 5.160 4.340 -0.000 0.000 0.271 334 L C 0.145 176.941 176.870 -0.123 0.000 0.993 334 L CA 0.239 55.000 54.840 -0.133 0.000 0.819 334 L CB 2.103 44.063 42.059 -0.166 0.000 1.294 334 L HN 0.100 nan 8.230 nan 0.000 0.414 335 G N 4.054 112.816 108.800 -0.064 0.000 2.623 335 G HA2 0.613 4.573 3.960 -0.000 0.000 0.290 335 G HA3 0.613 4.573 3.960 -0.000 0.000 0.290 335 G C -2.223 172.676 174.900 -0.002 0.000 1.437 335 G CA -0.449 44.615 45.100 -0.059 0.000 0.798 335 G HN 0.772 nan 8.290 nan 0.000 0.488 336 I N -0.195 120.380 120.570 0.007 0.000 2.775 336 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 336 I C -1.326 174.856 176.117 0.107 0.000 1.287 336 I CA -0.969 60.381 61.300 0.084 0.000 1.029 336 I CB 2.302 40.376 38.000 0.123 0.000 1.282 336 I HN 0.392 nan 8.210 nan 0.000 0.426 337 V N 7.125 127.139 119.914 0.168 0.000 2.588 337 V HA 0.549 4.669 4.120 -0.000 0.000 0.304 337 V C -0.499 175.733 176.094 0.230 0.000 1.042 337 V CA -0.474 61.944 62.300 0.197 0.000 0.877 337 V CB 1.850 33.801 31.823 0.215 0.000 0.996 337 V HN 0.640 nan 8.190 nan 0.000 0.425 338 M N 5.957 125.706 119.600 0.247 0.000 2.093 338 M HA 0.589 5.069 4.480 -0.000 0.000 0.297 338 M C -1.340 175.069 176.300 0.183 0.000 0.938 338 M CA -0.110 55.340 55.300 0.250 0.000 0.920 338 M CB 1.874 34.672 32.600 0.330 0.000 1.517 338 M HN 0.385 nan 8.290 nan 0.000 0.427 339 L N 2.887 124.115 121.223 0.009 0.000 2.333 339 L HA 0.987 5.327 4.340 -0.000 0.000 0.280 339 L C -0.379 176.332 176.870 -0.264 0.000 1.004 339 L CA -0.732 53.956 54.840 -0.252 0.000 0.820 339 L CB 1.809 43.373 42.059 -0.825 0.000 1.247 339 L HN 0.798 nan 8.230 nan 0.000 0.416 340 A N 1.958 124.872 122.820 0.157 0.000 2.449 340 A HA 0.532 4.851 4.320 -0.000 0.000 0.302 340 A C -0.319 177.630 177.584 0.608 0.000 1.048 340 A CA -0.755 51.527 52.037 0.409 0.000 0.708 340 A CB 1.255 20.509 19.000 0.424 0.000 1.274 340 A HN 0.752 nan 8.150 nan 0.000 0.410 341 N N 1.318 120.325 118.700 0.512 0.000 2.466 341 N HA 0.126 4.866 4.740 -0.000 0.000 0.251 341 N C -0.383 175.132 175.510 0.007 0.000 1.164 341 N CA -0.019 53.022 53.050 -0.015 0.000 0.888 341 N CB 0.187 38.655 38.487 -0.031 0.000 1.177 341 N HN 0.596 nan 8.380 nan 0.000 0.498 342 K N 0.154 120.651 120.400 0.163 0.000 2.501 342 K HA 0.230 4.550 4.320 -0.000 0.000 0.252 342 K C -1.399 175.378 176.600 0.295 0.000 0.934 342 K CA -0.727 55.671 56.287 0.186 0.000 0.797 342 K CB 1.242 33.851 32.500 0.181 0.000 1.270 342 K HN -0.074 nan 8.250 nan 0.000 0.431 343 N N 4.062 122.893 118.700 0.219 0.000 2.421 343 N HA 0.071 4.811 4.740 -0.000 0.000 0.260 343 N C -1.483 174.138 175.510 0.185 0.000 1.173 343 N CA 0.042 53.201 53.050 0.182 0.000 0.960 343 N CB -0.154 38.412 38.487 0.132 0.000 1.273 343 N HN 0.465 nan 8.380 nan 0.000 0.497 344 Y N 1.582 121.926 120.300 0.074 0.000 2.528 344 Y HA 0.762 5.312 4.550 -0.000 0.000 0.335 344 Y C -2.566 173.353 175.900 0.031 0.000 1.093 344 Y CA -3.092 55.035 58.100 0.044 0.000 1.134 344 Y CB 0.210 38.691 38.460 0.036 0.000 1.253 344 Y HN 0.281 nan 8.280 nan 0.000 0.478 345 P HA 0.029 nan 4.420 nan 0.000 0.265 345 P C 0.053 177.242 177.300 -0.185 0.000 1.193 345 P CA 0.236 63.296 63.100 -0.067 0.000 0.765 345 P CB 0.755 32.462 31.700 0.012 0.000 0.823 346 N N 4.393 122.983 118.700 -0.183 0.000 2.060 346 N HA -0.163 4.577 4.740 -0.000 0.000 0.195 346 N C -0.871 174.532 175.510 -0.179 0.000 1.028 346 N CA 1.982 54.908 53.050 -0.208 0.000 0.861 346 N CB -1.918 36.477 38.487 -0.153 0.000 1.029 346 N HN 0.463 nan 8.380 nan 0.000 0.428 347 P HA -0.026 nan 4.420 nan 0.000 0.218 347 P C 1.004 178.278 177.300 -0.044 0.000 1.149 347 P CA 1.359 64.411 63.100 -0.079 0.000 0.817 347 P CB -0.075 31.592 31.700 -0.054 0.000 0.785 348 A N 0.156 122.979 122.820 0.005 0.000 1.933 348 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 348 A C 2.213 179.876 177.584 0.132 0.000 1.175 348 A CA 1.376 53.474 52.037 0.101 0.000 0.628 348 A CB -0.925 18.215 19.000 0.234 0.000 0.814 348 A HN 0.112 nan 8.150 nan 0.000 0.444 349 R N -0.600 119.922 120.500 0.036 0.000 2.062 349 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 349 R C 2.013 178.239 176.300 -0.123 0.000 1.136 349 R CA 1.531 57.624 56.100 -0.012 0.000 0.948 349 R CB -0.776 29.373 30.300 -0.252 0.000 0.845 349 R HN 0.367 nan 8.270 nan 0.000 0.430 350 V N 1.802 121.532 119.914 -0.306 0.000 2.343 350 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 350 V C 1.981 178.150 176.094 0.125 0.000 1.051 350 V CA 2.184 64.378 62.300 -0.177 0.000 1.036 350 V CB -0.647 31.089 31.823 -0.146 0.000 0.654 350 V HN 0.347 nan 8.190 nan 0.000 0.451 351 D N 0.569 121.012 120.400 0.072 0.000 2.104 351 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 351 D C 2.113 178.549 176.300 0.227 0.000 0.994 351 D CA 1.719 55.797 54.000 0.131 0.000 0.830 351 D CB -0.188 40.650 40.800 0.064 0.000 0.959 351 D HN 0.361 nan 8.370 nan 0.000 0.452 352 A N 0.491 123.421 122.820 0.182 0.000 1.877 352 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 352 A C 2.425 180.161 177.584 0.253 0.000 1.186 352 A CA 2.393 54.536 52.037 0.177 0.000 0.620 352 A CB -1.263 17.817 19.000 0.134 0.000 0.822 352 A HN 0.372 nan 8.150 nan 0.000 0.443 353 A N -1.757 121.281 122.820 0.363 0.000 1.877 353 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 353 A C 2.027 179.936 177.584 0.542 0.000 1.186 353 A CA 1.594 53.926 52.037 0.492 0.000 0.620 353 A CB -0.930 18.549 19.000 0.798 0.000 0.822 353 A HN 0.843 nan 8.150 nan 0.000 0.443 354 W N 0.572 122.113 121.300 0.401 0.000 2.381 354 W HA -0.165 4.495 4.660 -0.000 0.000 0.301 354 W C 2.401 179.053 176.519 0.223 0.000 1.205 354 W CA 1.901 59.440 57.345 0.324 0.000 1.285 354 W CB -0.158 29.337 29.460 0.059 0.000 1.133 354 W HN 0.449 nan 8.180 nan 0.000 0.521 355 Q N -0.020 119.958 119.800 0.298 0.000 2.096 355 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 355 Q C 2.135 178.109 176.000 -0.042 0.000 0.982 355 Q CA 2.257 58.116 55.803 0.093 0.000 0.850 355 Q CB -0.489 28.342 28.738 0.156 0.000 0.901 355 Q HN 0.419 nan 8.270 nan 0.000 0.422 356 I N 0.291 120.880 120.570 0.032 0.000 2.163 356 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 356 I C 2.172 178.276 176.117 -0.021 0.000 1.081 356 I CA 1.040 62.344 61.300 0.006 0.000 1.353 356 I CB -0.207 37.821 38.000 0.047 0.000 1.054 356 I HN 0.185 nan 8.210 nan 0.000 0.407 357 L N 0.333 121.567 121.223 0.018 0.000 2.093 357 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 357 L C 2.283 179.105 176.870 -0.079 0.000 1.085 357 L CA 1.321 56.167 54.840 0.011 0.000 0.755 357 L CB -0.781 41.344 42.059 0.110 0.000 0.904 357 L HN 0.341 nan 8.230 nan 0.000 0.435 358 N N 0.587 119.088 118.700 -0.331 0.000 2.166 358 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 358 N C 1.779 177.168 175.510 -0.201 0.000 1.019 358 N CA 1.417 54.208 53.050 -0.433 0.000 0.856 358 N CB 0.013 37.703 38.487 -1.329 0.000 0.993 358 N HN 0.264 nan 8.380 nan 0.000 0.426 359 A N -0.020 122.695 122.820 -0.175 0.000 1.969 359 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 359 A C 2.025 179.591 177.584 -0.031 0.000 1.169 359 A CA 0.901 52.888 52.037 -0.083 0.000 0.635 359 A CB -0.453 18.504 19.000 -0.072 0.000 0.810 359 A HN 0.370 nan 8.150 nan 0.000 0.445 360 L N -0.449 120.770 121.223 -0.007 0.000 2.554 360 L HA 0.059 4.399 4.340 -0.000 0.000 0.225 360 L C 1.234 178.194 176.870 0.150 0.000 1.104 360 L CA -0.152 54.730 54.840 0.071 0.000 0.866 360 L CB -0.286 41.827 42.059 0.090 0.000 1.047 360 L HN 0.602 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.853 119.800 0.088 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.858 55.803 0.091 0.000 1.022 361 Q CB 0.000 28.824 28.738 0.143 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481