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 1kds_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 0.000 177.430 177.584 -0.257 0.000 1.274 4 A CA 0.000 51.881 52.037 -0.260 0.000 0.836 4 A CB 0.000 18.802 19.000 -0.330 0.000 0.831 5 P HA 0.381 nan 4.420 nan 0.000 0.266 5 P C 1.344 178.533 177.300 -0.186 0.000 1.193 5 P CA 0.934 63.891 63.100 -0.238 0.000 0.770 5 P CB 0.602 32.119 31.700 -0.304 0.000 0.836 6 Q N 1.630 121.362 119.800 -0.114 0.000 2.181 6 Q HA -0.221 4.119 4.340 -0.000 0.000 0.205 6 Q C 2.436 178.383 176.000 -0.088 0.000 0.980 6 Q CA 2.816 58.574 55.803 -0.074 0.000 0.862 6 Q CB -1.951 26.758 28.738 -0.048 0.000 0.905 6 Q HN 0.666 nan 8.270 nan 0.000 0.429 7 Q N 0.521 120.241 119.800 -0.134 0.000 2.061 7 Q HA -0.075 4.265 4.340 -0.000 0.000 0.204 7 Q C 2.281 178.182 176.000 -0.165 0.000 0.984 7 Q CA 1.856 57.569 55.803 -0.149 0.000 0.846 7 Q CB -0.692 27.924 28.738 -0.202 0.000 0.902 7 Q HN 0.896 nan 8.270 nan 0.000 0.421 8 I N 0.244 120.675 120.570 -0.232 0.000 2.353 8 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 8 I C 2.226 178.304 176.117 -0.065 0.000 1.119 8 I CA 1.388 62.579 61.300 -0.182 0.000 1.417 8 I CB -0.400 37.451 38.000 -0.249 0.000 1.078 8 I HN 0.477 nan 8.210 nan 0.000 0.421 9 N N 1.036 119.743 118.700 0.012 0.000 2.104 9 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 9 N C 1.800 177.343 175.510 0.055 0.000 1.024 9 N CA 1.714 54.833 53.050 0.115 0.000 0.853 9 N CB -0.366 38.178 38.487 0.095 0.000 1.008 9 N HN 0.504 nan 8.380 nan 0.000 0.424 10 D N 1.509 121.921 120.400 0.019 0.000 2.078 10 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 10 D C 1.918 178.234 176.300 0.026 0.000 0.990 10 D CA 1.647 55.672 54.000 0.041 0.000 0.827 10 D CB -0.944 39.862 40.800 0.009 0.000 0.975 10 D HN 0.359 nan 8.370 nan 0.000 0.451 11 I N -0.599 119.954 120.570 -0.028 0.000 2.286 11 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 11 I C 2.647 178.733 176.117 -0.051 0.000 1.115 11 I CA 0.712 61.987 61.300 -0.041 0.000 1.392 11 I CB -0.623 37.342 38.000 -0.058 0.000 1.065 11 I HN 0.151 nan 8.210 nan 0.000 0.418 12 V N 1.420 121.264 119.914 -0.118 0.000 2.237 12 V HA -0.333 3.787 4.120 -0.000 0.000 0.245 12 V C 2.756 178.869 176.094 0.031 0.000 1.046 12 V CA 2.624 64.816 62.300 -0.180 0.000 1.007 12 V CB -1.067 30.326 31.823 -0.715 0.000 0.638 12 V HN 0.511 nan 8.190 nan 0.000 0.445 13 H N 0.601 119.669 119.070 -0.004 0.000 2.319 13 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 13 H C 2.441 177.808 175.328 0.065 0.000 1.092 13 H CA 2.176 58.297 56.048 0.122 0.000 1.302 13 H CB -0.171 29.654 29.762 0.105 0.000 1.373 13 H HN 0.240 nan 8.280 nan 0.000 0.497 14 R N -1.133 119.339 120.500 -0.047 0.000 2.115 14 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 14 R C 1.920 178.160 176.300 -0.100 0.000 1.111 14 R CA 1.768 57.793 56.100 -0.125 0.000 0.976 14 R CB 0.144 30.413 30.300 -0.051 0.000 0.870 14 R HN 0.391 nan 8.270 nan 0.000 0.445 15 T N 0.239 114.755 114.554 -0.064 0.000 3.004 15 T HA 0.095 4.445 4.350 -0.000 0.000 0.243 15 T C 1.702 176.343 174.700 -0.098 0.000 1.020 15 T CA 0.338 62.403 62.100 -0.057 0.000 1.145 15 T CB 0.178 69.033 68.868 -0.022 0.000 0.876 15 T HN -0.030 nan 8.240 nan 0.000 0.449 16 I N 2.224 122.716 120.570 -0.128 0.000 2.235 16 I HA -0.061 4.109 4.170 -0.000 0.000 0.241 16 I C 2.668 178.527 176.117 -0.429 0.000 1.085 16 I CA 1.341 62.463 61.300 -0.297 0.000 1.378 16 I CB -1.995 35.741 38.000 -0.440 0.000 1.076 16 I HN 0.222 nan 8.210 nan 0.000 0.415 17 T N 2.438 116.804 114.554 -0.313 0.000 2.649 17 T HA -0.141 4.208 4.350 -0.000 0.000 0.268 17 T C -0.312 174.253 174.700 -0.226 0.000 1.036 17 T CA 2.051 64.002 62.100 -0.247 0.000 1.157 17 T CB -1.610 67.307 68.868 0.081 0.000 0.861 17 T HN 0.251 nan 8.240 nan 0.000 0.445 18 P HA 0.013 nan 4.420 nan 0.000 0.217 18 P C 1.698 178.906 177.300 -0.153 0.000 1.150 18 P CA 0.495 63.510 63.100 -0.143 0.000 0.832 18 P CB -0.212 31.417 31.700 -0.118 0.000 0.787 19 L N -0.736 120.377 121.223 -0.185 0.000 2.046 19 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 19 L C 2.190 178.901 176.870 -0.265 0.000 1.077 19 L CA 1.748 56.473 54.840 -0.192 0.000 0.747 19 L CB -1.159 40.788 42.059 -0.186 0.000 0.896 19 L HN -0.159 nan 8.230 nan 0.000 0.432 20 I N -0.426 119.944 120.570 -0.333 0.000 2.226 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 20 I C 2.406 178.396 176.117 -0.213 0.000 1.100 20 I CA 1.058 62.158 61.300 -0.333 0.000 1.374 20 I CB -0.349 37.401 38.000 -0.417 0.000 1.057 20 I HN 0.335 nan 8.210 nan 0.000 0.413 21 E N 0.404 120.504 120.200 -0.166 0.000 2.047 21 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 21 E C 2.205 178.749 176.600 -0.094 0.000 0.987 21 E CA 0.971 57.309 56.400 -0.105 0.000 0.799 21 E CB -0.411 29.242 29.700 -0.077 0.000 0.752 21 E HN 0.493 nan 8.360 nan 0.000 0.449 22 Q N 0.519 120.259 119.800 -0.099 0.000 2.096 22 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 22 Q C 1.925 177.881 176.000 -0.074 0.000 0.982 22 Q CA 1.115 56.873 55.803 -0.074 0.000 0.850 22 Q CB -0.166 28.532 28.738 -0.066 0.000 0.901 22 Q HN 0.335 nan 8.270 nan 0.000 0.422 23 Q N -0.052 119.676 119.800 -0.120 0.000 2.425 23 Q HA 0.049 4.389 4.340 -0.000 0.000 0.204 23 Q C 0.435 176.375 176.000 -0.099 0.000 0.933 23 Q CA 1.007 56.741 55.803 -0.114 0.000 0.939 23 Q CB 0.063 28.657 28.738 -0.241 0.000 1.044 23 Q HN 0.478 nan 8.270 nan 0.000 0.513 24 K N 0.878 121.216 120.400 -0.104 0.000 3.150 24 K HA -0.184 4.136 4.320 -0.000 0.000 0.267 24 K C -0.044 176.506 176.600 -0.083 0.000 1.028 24 K CA 0.918 57.158 56.287 -0.079 0.000 0.753 24 K CB -2.910 29.561 32.500 -0.049 0.000 1.288 24 K HN 0.367 nan 8.250 nan 0.000 0.473 25 I N 0.309 120.804 120.570 -0.124 0.000 2.379 25 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 25 I C -0.771 175.325 176.117 -0.036 0.000 1.063 25 I CA -2.259 58.984 61.300 -0.095 0.000 1.351 25 I CB 1.606 39.486 38.000 -0.199 0.000 1.410 25 I HN 0.207 nan 8.210 nan 0.000 0.505 26 P HA -0.080 nan 4.420 nan 0.000 0.214 26 P C 0.432 177.797 177.300 0.108 0.000 1.163 26 P CA 0.714 63.819 63.100 0.009 0.000 0.883 26 P CB 0.220 31.869 31.700 -0.085 0.000 0.788 27 G N -1.708 107.219 108.800 0.211 0.000 2.696 27 G HA2 0.679 4.639 3.960 -0.000 0.000 0.295 27 G HA3 0.679 4.639 3.960 -0.000 0.000 0.295 27 G C -1.886 173.258 174.900 0.406 0.000 1.398 27 G CA -0.401 44.888 45.100 0.316 0.000 0.920 27 G HN 0.068 nan 8.290 nan 0.000 0.492 28 M N 1.086 120.961 119.600 0.458 0.000 2.421 28 M HA 0.726 5.206 4.480 -0.000 0.000 0.287 28 M C -1.357 175.278 176.300 0.558 0.000 1.183 28 M CA -0.523 55.031 55.300 0.422 0.000 0.916 28 M CB 2.339 35.058 32.600 0.197 0.000 1.701 28 M HN 0.978 nan 8.290 nan 0.000 0.470 29 A N 3.524 126.548 122.820 0.340 0.000 2.356 29 A HA 0.849 5.169 4.320 -0.000 0.000 0.310 29 A C -1.714 176.083 177.584 0.354 0.000 1.075 29 A CA -0.610 51.645 52.037 0.363 0.000 0.746 29 A CB 1.545 20.697 19.000 0.254 0.000 1.221 29 A HN 0.623 nan 8.150 nan 0.000 0.443 30 V N 1.170 121.400 119.914 0.526 0.000 2.709 30 V HA 0.792 4.912 4.120 -0.000 0.000 0.308 30 V C 0.095 176.500 176.094 0.519 0.000 1.062 30 V CA -0.269 62.332 62.300 0.503 0.000 0.901 30 V CB 1.832 34.015 31.823 0.599 0.000 1.003 30 V HN 1.364 nan 8.190 nan 0.000 0.425 31 A N 4.120 127.169 122.820 0.382 0.000 2.330 31 A HA 0.864 5.184 4.320 -0.000 0.000 0.313 31 A C -1.065 176.648 177.584 0.214 0.000 1.124 31 A CA -0.535 51.658 52.037 0.260 0.000 0.774 31 A CB 1.645 20.785 19.000 0.233 0.000 1.198 31 A HN 0.662 nan 8.150 nan 0.000 0.465 32 V N 3.771 123.823 119.914 0.230 0.000 2.384 32 V HA 0.338 4.458 4.120 -0.000 0.000 0.287 32 V C -0.731 175.474 176.094 0.184 0.000 1.020 32 V CA -0.280 62.159 62.300 0.231 0.000 0.850 32 V CB 1.297 33.306 31.823 0.311 0.000 0.987 32 V HN 0.739 nan 8.190 nan 0.000 0.436 33 I N 5.736 126.374 120.570 0.112 0.000 2.297 33 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 33 I C -0.589 175.624 176.117 0.161 0.000 1.033 33 I CA -0.101 61.234 61.300 0.060 0.000 1.253 33 I CB 0.606 38.578 38.000 -0.046 0.000 1.396 33 I HN 0.596 nan 8.210 nan 0.000 0.476 34 Y N 5.703 126.065 120.300 0.105 0.000 2.326 34 Y HA 0.333 4.883 4.550 0.000 0.000 0.331 34 Y C 0.346 176.291 175.900 0.074 0.000 0.962 34 Y CA -0.556 57.610 58.100 0.111 0.000 1.167 34 Y CB 0.773 39.350 38.460 0.195 0.000 1.148 34 Y HN 0.641 nan 8.280 nan 0.000 0.463 35 Q N 4.574 124.098 119.800 -0.461 0.000 2.468 35 Q HA -0.270 4.070 4.340 -0.000 0.000 0.289 35 Q C 1.047 176.944 176.000 -0.172 0.000 1.299 35 Q CA 1.118 56.699 55.803 -0.369 0.000 0.838 35 Q CB -1.546 26.928 28.738 -0.439 0.000 1.195 35 Q HN 1.337 nan 8.270 nan 0.000 0.456 36 G N -0.025 108.689 108.800 -0.143 0.000 2.234 36 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.260 36 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.260 36 G C 0.044 174.877 174.900 -0.112 0.000 0.987 36 G CA 0.748 45.774 45.100 -0.124 0.000 0.625 36 G HN 0.425 nan 8.290 nan 0.000 0.532 37 K N 1.586 121.929 120.400 -0.095 0.000 2.164 37 K HA 0.687 5.007 4.320 -0.000 0.000 0.258 37 K C -2.678 173.718 176.600 -0.340 0.000 0.951 37 K CA -2.232 53.938 56.287 -0.196 0.000 0.844 37 K CB 2.652 35.035 32.500 -0.196 0.000 1.099 37 K HN 0.067 nan 8.250 nan 0.000 0.435 38 P HA 0.211 nan 4.420 nan 0.000 0.288 38 P C -1.568 175.113 177.300 -1.031 0.000 1.267 38 P CA -0.333 62.416 63.100 -0.584 0.000 0.815 38 P CB 0.549 31.980 31.700 -0.447 0.000 0.989 39 Y N 1.059 121.062 120.300 -0.495 0.000 2.406 39 Y HA 0.433 4.983 4.550 -0.000 0.000 0.340 39 Y C -0.077 175.445 175.900 -0.629 0.000 0.975 39 Y CA -0.432 57.383 58.100 -0.475 0.000 1.056 39 Y CB 1.678 40.045 38.460 -0.156 0.000 1.210 39 Y HN 0.288 nan 8.280 nan 0.000 0.448 40 Y N 2.358 122.534 120.300 -0.206 0.000 2.457 40 Y HA 0.712 5.262 4.550 -0.000 0.000 0.333 40 Y C -0.918 174.617 175.900 -0.609 0.000 1.119 40 Y CA -1.250 56.739 58.100 -0.186 0.000 1.143 40 Y CB 1.413 39.824 38.460 -0.081 0.000 1.230 40 Y HN 0.377 nan 8.280 nan 0.000 0.469 41 F N 0.146 120.181 119.950 0.141 0.000 2.569 41 F HA 0.609 5.136 4.527 -0.000 0.000 0.312 41 F C -0.328 175.332 175.800 -0.234 0.000 1.109 41 F CA -0.909 56.978 58.000 -0.187 0.000 0.919 41 F CB 2.451 41.322 39.000 -0.214 0.000 1.211 41 F HN 0.429 nan 8.300 nan 0.000 0.446 42 T N -1.321 113.034 114.554 -0.331 0.000 2.906 42 T HA 0.692 5.042 4.350 -0.000 0.000 0.295 42 T C -1.471 173.085 174.700 -0.239 0.000 1.061 42 T CA -0.754 61.309 62.100 -0.061 0.000 1.000 42 T CB 1.989 70.891 68.868 0.058 0.000 1.103 42 T HN 0.594 nan 8.240 nan 0.000 0.486 43 W N -0.031 121.360 121.300 0.151 0.000 3.118 43 W HA 0.500 5.160 4.660 -0.000 0.000 0.328 43 W C 0.853 177.400 176.519 0.046 0.000 1.239 43 W CA -0.195 57.200 57.345 0.083 0.000 1.176 43 W CB 1.588 31.096 29.460 0.081 0.000 1.433 43 W HN 1.366 nan 8.180 nan 0.000 0.562 44 G N 1.135 110.029 108.800 0.158 0.000 2.578 44 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.284 44 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.284 44 G C -1.290 173.548 174.900 -0.104 0.000 1.283 44 G CA 0.055 45.096 45.100 -0.098 0.000 0.944 44 G HN 0.539 nan 8.290 nan 0.000 0.558 45 Y N -0.282 120.114 120.300 0.160 0.000 2.446 45 Y HA 0.565 5.114 4.550 -0.000 0.000 0.338 45 Y C 1.334 177.352 175.900 0.197 0.000 1.055 45 Y CA -0.409 57.781 58.100 0.150 0.000 1.101 45 Y CB 1.993 40.514 38.460 0.102 0.000 1.221 45 Y HN 0.738 nan 8.280 nan 0.000 0.460 46 A N 0.500 123.539 122.820 0.365 0.000 2.044 46 A HA 0.017 4.337 4.320 -0.000 0.000 0.213 46 A C 0.102 177.886 177.584 0.333 0.000 1.169 46 A CA 0.943 53.135 52.037 0.258 0.000 0.724 46 A CB 0.162 19.240 19.000 0.130 0.000 0.840 46 A HN 0.668 nan 8.150 nan 0.000 0.463 47 D N -0.783 119.816 120.400 0.332 0.000 2.386 47 D HA 0.361 5.001 4.640 -0.000 0.000 0.247 47 D C 0.616 177.007 176.300 0.152 0.000 1.336 47 D CA -0.411 53.802 54.000 0.355 0.000 0.976 47 D CB 0.529 41.508 40.800 0.298 0.000 1.257 47 D HN 0.127 nan 8.370 nan 0.000 0.570 48 I N 2.094 122.760 120.570 0.161 0.000 2.127 48 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 48 I C 2.528 178.529 176.117 -0.194 0.000 1.075 48 I CA 1.496 62.738 61.300 -0.097 0.000 1.334 48 I CB -0.131 37.773 38.000 -0.160 0.000 1.040 48 I HN 0.444 nan 8.210 nan 0.000 0.405 49 A N 0.892 123.666 122.820 -0.076 0.000 1.892 49 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 49 A C 2.466 179.987 177.584 -0.105 0.000 1.188 49 A CA 2.792 54.776 52.037 -0.088 0.000 0.631 49 A CB -0.976 17.985 19.000 -0.065 0.000 0.822 49 A HN 0.430 nan 8.150 nan 0.000 0.447 50 K N -0.696 119.661 120.400 -0.072 0.000 2.444 50 K HA 0.239 4.559 4.320 -0.000 0.000 0.193 50 K C 0.872 177.378 176.600 -0.156 0.000 1.024 50 K CA 0.936 57.184 56.287 -0.065 0.000 1.077 50 K CB -0.681 31.830 32.500 0.019 0.000 0.833 50 K HN 0.560 nan 8.250 nan 0.000 0.517 51 K N 1.115 121.294 120.400 -0.368 0.000 3.077 51 K HA -0.143 4.177 4.320 -0.000 0.000 0.264 51 K C -0.662 175.760 176.600 -0.296 0.000 1.008 51 K CA 0.676 56.514 56.287 -0.749 0.000 0.740 51 K CB -1.129 31.081 32.500 -0.484 0.000 1.273 51 K HN 0.535 nan 8.250 nan 0.000 0.477 52 Q N 0.331 120.082 119.800 -0.083 0.000 2.279 52 Q HA 0.252 4.592 4.340 -0.000 0.000 0.256 52 Q C -2.191 173.983 176.000 0.291 0.000 0.937 52 Q CA -2.026 53.840 55.803 0.106 0.000 0.933 52 Q CB 1.012 29.810 28.738 0.100 0.000 1.189 52 Q HN 0.135 nan 8.270 nan 0.000 0.417 53 P HA 0.160 nan 4.420 nan 0.000 0.279 53 P C -0.335 177.095 177.300 0.216 0.000 1.252 53 P CA -0.493 62.788 63.100 0.303 0.000 0.811 53 P CB 0.976 32.802 31.700 0.210 0.000 1.035 54 V N 2.029 122.080 119.914 0.228 0.000 2.637 54 V HA 0.303 4.423 4.120 -0.000 0.000 0.296 54 V C 1.207 177.411 176.094 0.183 0.000 1.046 54 V CA 0.677 63.125 62.300 0.247 0.000 1.066 54 V CB 0.341 32.392 31.823 0.380 0.000 0.968 54 V HN 0.907 nan 8.190 nan 0.000 0.483 55 T N 1.200 115.848 114.554 0.155 0.000 2.804 55 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 55 T C 0.818 175.561 174.700 0.072 0.000 1.099 55 T CA 0.149 62.299 62.100 0.083 0.000 1.011 55 T CB 1.728 70.616 68.868 0.034 0.000 1.291 55 T HN 0.553 nan 8.240 nan 0.000 0.523 56 Q N -1.066 118.717 119.800 -0.029 0.000 2.437 56 Q HA 0.189 4.529 4.340 -0.000 0.000 0.210 56 Q C 2.120 178.062 176.000 -0.097 0.000 0.972 56 Q CA 2.187 57.919 55.803 -0.119 0.000 0.903 56 Q CB -1.411 27.170 28.738 -0.261 0.000 0.967 56 Q HN 1.154 nan 8.270 nan 0.000 0.486 57 Q N -0.786 118.968 119.800 -0.078 0.000 2.219 57 Q HA 0.286 4.626 4.340 -0.000 0.000 0.209 57 Q C 1.017 176.985 176.000 -0.054 0.000 0.854 57 Q CA 0.471 56.192 55.803 -0.137 0.000 0.960 57 Q CB -0.249 28.371 28.738 -0.196 0.000 1.116 57 Q HN 0.561 nan 8.270 nan 0.000 0.500 58 T N 1.978 116.553 114.554 0.034 0.000 2.870 58 T HA 0.482 4.832 4.350 -0.000 0.000 0.300 58 T C 0.183 174.903 174.700 0.033 0.000 0.989 58 T CA -0.073 62.035 62.100 0.013 0.000 1.139 58 T CB 0.147 69.023 68.868 0.014 0.000 0.920 58 T HN 0.486 nan 8.240 nan 0.000 0.537 59 L N 4.069 125.266 121.223 -0.042 0.000 2.292 59 L HA 0.537 4.877 4.340 -0.000 0.000 0.284 59 L C -0.508 176.317 176.870 -0.075 0.000 1.065 59 L CA -0.564 54.270 54.840 -0.010 0.000 0.806 59 L CB 0.513 42.503 42.059 -0.115 0.000 1.175 59 L HN 0.541 nan 8.230 nan 0.000 0.431 60 F N 0.558 120.515 119.950 0.012 0.000 2.538 60 F HA 0.361 4.888 4.527 -0.000 0.000 0.325 60 F C 0.405 175.974 175.800 -0.385 0.000 1.066 60 F CA -0.790 57.151 58.000 -0.099 0.000 0.946 60 F CB 1.652 40.733 39.000 0.133 0.000 1.199 60 F HN 0.393 nan 8.300 nan 0.000 0.473 61 E N 2.729 122.462 120.200 -0.778 0.000 2.259 61 E HA 0.183 4.533 4.350 -0.000 0.000 0.281 61 E C 0.465 177.005 176.600 -0.100 0.000 1.037 61 E CA -0.085 56.039 56.400 -0.460 0.000 0.854 61 E CB 0.977 30.328 29.700 -0.582 0.000 1.051 61 E HN 0.626 nan 8.360 nan 0.000 0.409 62 L N 2.798 124.035 121.223 0.022 0.000 2.341 62 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 62 L C 1.386 178.365 176.870 0.182 0.000 1.115 62 L CA 0.575 55.493 54.840 0.130 0.000 0.820 62 L CB -0.769 41.369 42.059 0.132 0.000 0.944 62 L HN 0.898 nan 8.230 nan 0.000 0.452 63 G N 0.302 109.214 108.800 0.187 0.000 2.566 63 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.280 63 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.280 63 G C 0.744 175.804 174.900 0.268 0.000 1.225 63 G CA 0.256 45.502 45.100 0.242 0.000 0.966 63 G HN 0.179 nan 8.290 nan 0.000 0.560 64 S N -0.220 115.639 115.700 0.266 0.000 2.537 64 S HA 0.038 4.508 4.470 -0.000 0.000 0.240 64 S C 2.326 177.069 174.600 0.239 0.000 0.981 64 S CA 1.218 59.587 58.200 0.282 0.000 0.948 64 S CB -0.092 63.312 63.200 0.340 0.000 0.759 64 S HN 0.776 nan 8.310 nan 0.000 0.531 65 V N 1.567 121.613 119.914 0.220 0.000 2.867 65 V HA -0.126 3.994 4.120 -0.000 0.000 0.260 65 V C 2.111 178.337 176.094 0.219 0.000 1.099 65 V CA 1.336 63.749 62.300 0.189 0.000 1.122 65 V CB -0.762 31.199 31.823 0.229 0.000 0.708 65 V HN 0.457 nan 8.190 nan 0.000 0.490 66 S N -0.211 115.641 115.700 0.254 0.000 2.399 66 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 66 S C 1.935 176.700 174.600 0.274 0.000 1.022 66 S CA 1.260 59.641 58.200 0.300 0.000 0.983 66 S CB -0.257 63.052 63.200 0.182 0.000 0.803 66 S HN 0.626 nan 8.310 nan 0.000 0.480 67 K N 0.859 121.374 120.400 0.191 0.000 2.218 67 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 67 K C 2.372 178.997 176.600 0.041 0.000 1.046 67 K CA 1.651 58.027 56.287 0.148 0.000 0.933 67 K CB -0.474 32.140 32.500 0.189 0.000 0.728 67 K HN 0.630 nan 8.250 nan 0.000 0.454 68 T N -1.718 112.765 114.554 -0.118 0.000 2.951 68 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 68 T C 1.694 176.360 174.700 -0.056 0.000 1.073 68 T CA 0.635 62.459 62.100 -0.459 0.000 1.134 68 T CB -0.270 67.863 68.868 -1.226 0.000 0.884 68 T HN 0.014 nan 8.240 nan 0.000 0.479 69 F N 2.095 122.083 119.950 0.064 0.000 2.206 69 F HA 0.091 4.618 4.527 0.000 0.000 0.298 69 F C 2.943 178.795 175.800 0.087 0.000 1.090 69 F CA 1.150 59.162 58.000 0.020 0.000 1.323 69 F CB -0.907 37.996 39.000 -0.161 0.000 1.028 69 F HN 0.124 nan 8.300 nan 0.000 0.492 70 T N -0.652 114.092 114.554 0.316 0.000 2.821 70 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 70 T C 2.352 177.233 174.700 0.303 0.000 1.046 70 T CA 1.312 63.607 62.100 0.326 0.000 1.139 70 T CB -0.910 68.151 68.868 0.323 0.000 0.871 70 T HN 0.426 nan 8.240 nan 0.000 0.454 71 G N 0.980 109.918 108.800 0.229 0.000 2.421 71 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 71 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 71 G C 1.685 176.733 174.900 0.246 0.000 1.171 71 G CA 0.787 46.012 45.100 0.207 0.000 0.775 71 G HN 0.427 nan 8.290 nan 0.000 0.543 72 V N 0.602 120.671 119.914 0.258 0.000 2.358 72 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 72 V C 2.674 178.887 176.094 0.197 0.000 1.047 72 V CA 1.514 63.978 62.300 0.274 0.000 1.035 72 V CB -0.327 31.749 31.823 0.421 0.000 0.658 72 V HN 0.345 nan 8.190 nan 0.000 0.452 73 L N 1.360 122.675 121.223 0.154 0.000 2.012 73 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 73 L C 2.340 179.229 176.870 0.032 0.000 1.073 73 L CA 2.533 57.389 54.840 0.025 0.000 0.748 73 L CB -1.285 40.713 42.059 -0.103 0.000 0.891 73 L HN 0.275 nan 8.230 nan 0.000 0.431 74 G N -1.241 107.632 108.800 0.122 0.000 2.418 74 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 74 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 74 G C 1.513 176.523 174.900 0.182 0.000 1.158 74 G CA 0.571 45.761 45.100 0.149 0.000 0.771 74 G HN 0.604 nan 8.290 nan 0.000 0.545 75 G N 0.582 109.500 108.800 0.196 0.000 2.422 75 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 75 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 75 G C 1.428 176.388 174.900 0.100 0.000 1.146 75 G CA 1.328 46.520 45.100 0.154 0.000 0.769 75 G HN 0.535 nan 8.290 nan 0.000 0.547 76 D N 0.484 120.933 120.400 0.080 0.000 2.178 76 D HA 0.078 4.718 4.640 -0.000 0.000 0.202 76 D C 2.559 178.869 176.300 0.017 0.000 0.974 76 D CA 1.293 55.319 54.000 0.044 0.000 0.841 76 D CB -0.212 40.605 40.800 0.028 0.000 0.953 76 D HN 0.237 nan 8.370 nan 0.000 0.478 77 A N -0.116 122.706 122.820 0.003 0.000 2.014 77 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 77 A C 2.247 179.833 177.584 0.003 0.000 1.163 77 A CA 0.663 52.685 52.037 -0.024 0.000 0.652 77 A CB -0.582 18.370 19.000 -0.079 0.000 0.808 77 A HN 0.373 nan 8.150 nan 0.000 0.449 78 I N -0.273 120.318 120.570 0.035 0.000 2.252 78 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 78 I C 2.922 179.065 176.117 0.043 0.000 1.102 78 I CA 0.994 62.325 61.300 0.051 0.000 1.385 78 I CB -0.279 37.770 38.000 0.081 0.000 1.064 78 I HN 0.327 nan 8.210 nan 0.000 0.414 79 A N 0.775 123.619 122.820 0.041 0.000 1.972 79 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 79 A C 2.304 179.900 177.584 0.020 0.000 1.169 79 A CA 1.390 53.445 52.037 0.031 0.000 0.635 79 A CB -0.551 18.467 19.000 0.031 0.000 0.810 79 A HN 0.339 nan 8.150 nan 0.000 0.446 80 R N -1.369 119.139 120.500 0.013 0.000 2.307 80 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 80 R C 1.279 177.586 176.300 0.012 0.000 1.000 80 R CA 0.516 56.620 56.100 0.006 0.000 1.023 80 R CB -0.232 30.064 30.300 -0.007 0.000 0.908 80 R HN 0.701 nan 8.270 nan 0.000 0.473 81 G N 1.162 109.975 108.800 0.021 0.000 2.160 81 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 81 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 81 G C 0.468 175.390 174.900 0.036 0.000 1.008 81 G CA 0.573 45.691 45.100 0.030 0.000 0.724 81 G HN 0.452 nan 8.290 nan 0.000 0.514 82 E N -0.779 119.437 120.200 0.027 0.000 2.190 82 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 82 E C 1.516 178.156 176.600 0.066 0.000 0.978 82 E CA 1.087 57.506 56.400 0.032 0.000 0.839 82 E CB 0.225 29.922 29.700 -0.005 0.000 0.787 82 E HN 0.902 nan 8.360 nan 0.000 0.473 83 I N -2.893 117.700 120.570 0.039 0.000 3.074 83 I HA 0.519 4.689 4.170 -0.000 0.000 0.310 83 I C -1.215 174.955 176.117 0.088 0.000 1.153 83 I CA -1.185 60.145 61.300 0.051 0.000 0.993 83 I CB 2.322 40.214 38.000 -0.179 0.000 1.237 83 I HN -0.372 nan 8.210 nan 0.000 0.443 84 K N 2.261 122.745 120.400 0.141 0.000 2.427 84 K HA 0.515 4.835 4.320 -0.000 0.000 0.252 84 K C 0.049 176.724 176.600 0.126 0.000 0.931 84 K CA -0.726 55.634 56.287 0.123 0.000 0.793 84 K CB 2.694 35.269 32.500 0.126 0.000 1.211 84 K HN 0.656 nan 8.250 nan 0.000 0.426 85 L N 1.161 122.436 121.223 0.087 0.000 2.376 85 L HA -0.126 4.214 4.340 -0.000 0.000 0.219 85 L C 1.649 178.543 176.870 0.039 0.000 1.133 85 L CA 1.116 55.986 54.840 0.049 0.000 0.816 85 L CB -0.132 41.909 42.059 -0.030 0.000 0.933 85 L HN 0.639 nan 8.230 nan 0.000 0.449 86 S N -2.491 113.246 115.700 0.061 0.000 2.527 86 S HA 0.009 4.479 4.470 -0.000 0.000 0.222 86 S C 0.514 175.173 174.600 0.098 0.000 0.985 86 S CA -0.187 58.047 58.200 0.057 0.000 0.921 86 S CB -0.319 62.914 63.200 0.056 0.000 0.772 86 S HN 0.248 nan 8.310 nan 0.000 0.529 87 D N 4.183 124.674 120.400 0.151 0.000 2.389 87 D HA 0.256 4.896 4.640 -0.000 0.000 0.247 87 D C -2.335 174.100 176.300 0.224 0.000 1.128 87 D CA -1.528 52.592 54.000 0.199 0.000 0.884 87 D CB 0.602 41.608 40.800 0.344 0.000 1.194 87 D HN 0.181 nan 8.370 nan 0.000 0.441 88 P HA 0.023 nan 4.420 nan 0.000 0.272 88 P C 0.610 178.061 177.300 0.252 0.000 1.223 88 P CA -0.231 62.992 63.100 0.203 0.000 0.784 88 P CB 0.748 32.537 31.700 0.148 0.000 0.923 89 T N 0.700 115.431 114.554 0.294 0.000 2.720 89 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 89 T C 1.789 176.617 174.700 0.214 0.000 1.037 89 T CA 2.598 64.877 62.100 0.297 0.000 1.144 89 T CB -1.151 67.904 68.868 0.311 0.000 0.864 89 T HN 0.670 nan 8.240 nan 0.000 0.444 90 T N 0.725 115.360 114.554 0.135 0.000 2.897 90 T HA -0.111 4.239 4.350 -0.000 0.000 0.271 90 T C 1.778 176.484 174.700 0.011 0.000 1.084 90 T CA 1.322 63.451 62.100 0.048 0.000 1.123 90 T CB -0.350 68.537 68.868 0.032 0.000 0.865 90 T HN 0.432 nan 8.240 nan 0.000 0.496 91 K N -0.058 120.311 120.400 -0.052 0.000 2.211 91 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 91 K C 1.049 177.382 176.600 -0.444 0.000 1.050 91 K CA 1.102 57.218 56.287 -0.285 0.000 0.945 91 K CB -0.145 32.078 32.500 -0.461 0.000 0.732 91 K HN 0.563 nan 8.250 nan 0.000 0.451 92 Y N -2.323 118.018 120.300 0.069 0.000 2.444 92 Y HA 0.137 4.687 4.550 -0.000 0.000 0.249 92 Y C 0.030 175.995 175.900 0.108 0.000 1.134 92 Y CA -0.543 57.587 58.100 0.049 0.000 1.261 92 Y CB 0.637 39.099 38.460 0.004 0.000 1.143 92 Y HN 0.120 nan 8.280 nan 0.000 0.523 93 W N 2.266 123.565 121.300 -0.002 0.000 2.330 93 W HA 0.411 5.071 4.660 -0.000 0.000 0.286 93 W C -2.607 173.861 176.519 -0.085 0.000 1.019 93 W CA -3.626 53.682 57.345 -0.062 0.000 1.485 93 W CB 0.995 30.376 29.460 -0.131 0.000 1.457 93 W HN -0.117 nan 8.180 nan 0.000 0.359 94 P HA -0.197 nan 4.420 nan 0.000 0.220 94 P C 0.984 178.235 177.300 -0.082 0.000 1.144 94 P CA 1.828 64.939 63.100 0.018 0.000 0.800 94 P CB 0.507 32.229 31.700 0.038 0.000 0.772 95 E N -1.390 118.716 120.200 -0.157 0.000 2.435 95 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 95 E C 0.400 176.683 176.600 -0.528 0.000 1.029 95 E CA 0.108 56.336 56.400 -0.286 0.000 0.865 95 E CB -0.475 29.104 29.700 -0.202 0.000 0.833 95 E HN 0.097 nan 8.360 nan 0.000 0.510 96 L N 1.612 122.387 121.223 -0.746 0.000 2.404 96 L HA 0.108 4.448 4.340 -0.000 0.000 0.277 96 L C 0.750 177.394 176.870 -0.378 0.000 1.184 96 L CA 0.474 54.838 54.840 -0.793 0.000 1.013 96 L CB -0.104 41.338 42.059 -1.027 0.000 1.318 96 L HN 0.041 nan 8.230 nan 0.000 0.435 97 T N -0.324 114.089 114.554 -0.235 0.000 3.001 97 T HA 0.376 4.726 4.350 -0.000 0.000 0.251 97 T C 0.902 175.611 174.700 0.015 0.000 1.040 97 T CA 0.230 62.281 62.100 -0.082 0.000 0.985 97 T CB 0.061 68.887 68.868 -0.070 0.000 1.011 97 T HN 0.511 nan 8.240 nan 0.000 0.509 98 A N 2.173 125.027 122.820 0.056 0.000 2.565 98 A HA 0.319 4.639 4.320 -0.000 0.000 0.237 98 A C 1.709 179.413 177.584 0.200 0.000 1.053 98 A CA -0.116 52.010 52.037 0.149 0.000 0.755 98 A CB 0.224 19.368 19.000 0.240 0.000 0.980 98 A HN 0.242 nan 8.150 nan 0.000 0.506 99 K N 1.220 121.686 120.400 0.109 0.000 2.127 99 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 99 K C 2.106 178.747 176.600 0.069 0.000 1.047 99 K CA 2.496 58.829 56.287 0.076 0.000 0.927 99 K CB -0.200 32.315 32.500 0.026 0.000 0.716 99 K HN 0.881 nan 8.250 nan 0.000 0.450 100 Q N -1.273 118.543 119.800 0.028 0.000 2.500 100 Q HA -0.165 4.175 4.340 -0.000 0.000 0.213 100 Q C 1.065 176.982 176.000 -0.139 0.000 0.974 100 Q CA 1.231 56.965 55.803 -0.116 0.000 0.918 100 Q CB -0.533 28.037 28.738 -0.281 0.000 0.980 100 Q HN 0.471 nan 8.270 nan 0.000 0.505 101 W N 1.456 122.806 121.300 0.084 0.000 3.197 101 W HA 0.274 4.934 4.660 -0.000 0.000 0.274 101 W C 1.789 178.367 176.519 0.099 0.000 1.297 101 W CA -0.332 57.085 57.345 0.120 0.000 1.662 101 W CB -0.059 29.453 29.460 0.087 0.000 1.106 101 W HN 0.255 nan 8.180 nan 0.000 0.663 102 N N 0.171 119.007 118.700 0.227 0.000 2.036 102 N HA -0.183 4.557 4.740 -0.000 0.000 0.199 102 N C 1.742 177.355 175.510 0.171 0.000 1.036 102 N CA 1.690 54.841 53.050 0.167 0.000 0.870 102 N CB -0.555 37.994 38.487 0.102 0.000 1.055 102 N HN 0.163 nan 8.380 nan 0.000 0.436 103 G N -0.028 108.860 108.800 0.147 0.000 3.448 103 G HA2 0.274 4.234 3.960 -0.000 0.000 0.261 103 G HA3 0.274 4.234 3.960 -0.000 0.000 0.261 103 G C 0.143 175.198 174.900 0.260 0.000 1.173 103 G CA -0.324 44.881 45.100 0.176 0.000 0.835 103 G HN 0.170 nan 8.290 nan 0.000 0.534 104 I N 2.600 123.347 120.570 0.295 0.000 2.312 104 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 104 I C 0.874 177.286 176.117 0.491 0.000 1.031 104 I CA -0.447 61.113 61.300 0.433 0.000 1.293 104 I CB 1.365 39.559 38.000 0.324 0.000 1.403 104 I HN 0.076 nan 8.210 nan 0.000 0.484 105 T N 3.027 117.903 114.554 0.536 0.000 2.923 105 T HA 0.441 4.791 4.350 -0.000 0.000 0.281 105 T C 1.225 176.032 174.700 0.178 0.000 0.995 105 T CA -0.858 61.374 62.100 0.219 0.000 0.985 105 T CB 1.326 70.197 68.868 0.006 0.000 1.114 105 T HN 0.413 nan 8.240 nan 0.000 0.548 106 L N 0.268 121.590 121.223 0.164 0.000 2.131 106 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 106 L C 2.529 179.404 176.870 0.008 0.000 1.092 106 L CA 0.948 55.905 54.840 0.195 0.000 0.759 106 L CB -0.782 41.427 42.059 0.251 0.000 0.903 106 L HN 0.622 nan 8.230 nan 0.000 0.435 107 L N -0.316 120.842 121.223 -0.109 0.000 2.012 107 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 107 L C 2.399 179.213 176.870 -0.094 0.000 1.073 107 L CA 1.946 56.660 54.840 -0.211 0.000 0.748 107 L CB -0.649 41.290 42.059 -0.200 0.000 0.891 107 L HN 0.227 nan 8.230 nan 0.000 0.431 108 H N -0.870 118.267 119.070 0.111 0.000 2.319 108 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 108 H C 2.258 177.590 175.328 0.008 0.000 1.092 108 H CA 1.842 57.947 56.048 0.095 0.000 1.302 108 H CB -0.257 29.579 29.762 0.124 0.000 1.373 108 H HN 0.324 nan 8.280 nan 0.000 0.497 109 L N 0.115 121.427 121.223 0.149 0.000 2.046 109 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 109 L C 2.802 179.610 176.870 -0.104 0.000 1.077 109 L CA 0.852 55.748 54.840 0.093 0.000 0.747 109 L CB -0.476 41.703 42.059 0.200 0.000 0.896 109 L HN 0.366 nan 8.230 nan 0.000 0.432 110 A N -0.374 122.223 122.820 -0.371 0.000 2.015 110 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 110 A C 2.037 179.224 177.584 -0.661 0.000 1.163 110 A CA 1.906 53.474 52.037 -0.782 0.000 0.646 110 A CB -0.621 17.515 19.000 -1.441 0.000 0.806 110 A HN 0.511 nan 8.150 nan 0.000 0.448 111 T N -6.139 108.151 114.554 -0.440 0.000 3.174 111 T HA 0.331 4.681 4.350 -0.000 0.000 0.269 111 T C 0.312 174.836 174.700 -0.293 0.000 1.017 111 T CA 0.219 62.090 62.100 -0.381 0.000 0.899 111 T CB -0.862 68.059 68.868 0.089 0.000 1.077 111 T HN 0.656 nan 8.240 nan 0.000 0.552 112 Y N 0.754 121.040 120.300 -0.023 0.000 4.490 112 Y HA -0.288 4.262 4.550 0.000 0.000 0.233 112 Y C 1.251 177.106 175.900 -0.075 0.000 1.101 112 Y CA 0.602 58.686 58.100 -0.026 0.000 2.010 112 Y CB -2.879 35.585 38.460 0.008 0.000 1.622 112 Y HN 0.597 nan 8.280 nan 0.000 0.675 113 T N -3.837 110.707 114.554 -0.017 0.000 3.214 113 T HA 0.658 5.008 4.350 -0.000 0.000 0.264 113 T C 1.350 176.018 174.700 -0.053 0.000 1.012 113 T CA 0.154 62.159 62.100 -0.159 0.000 0.901 113 T CB 0.790 69.319 68.868 -0.565 0.000 1.070 113 T HN 0.468 nan 8.240 nan 0.000 0.561 114 A N 1.313 124.164 122.820 0.052 0.000 2.066 114 A HA 0.553 4.873 4.320 -0.000 0.000 0.218 114 A C 1.916 179.577 177.584 0.128 0.000 1.157 114 A CA 0.678 52.737 52.037 0.036 0.000 0.670 114 A CB -0.776 18.233 19.000 0.015 0.000 0.804 114 A HN 1.445 nan 8.150 nan 0.000 0.453 115 G N -3.273 105.676 108.800 0.249 0.000 2.188 115 G HA2 0.407 4.367 3.960 -0.000 0.000 0.112 115 G HA3 0.407 4.367 3.960 -0.000 0.000 0.112 115 G C 0.977 176.230 174.900 0.588 0.000 1.048 115 G CA 0.358 45.700 45.100 0.403 0.000 0.720 115 G HN 1.974 nan 8.290 nan 0.000 0.487 116 G N -0.827 108.343 108.800 0.617 0.000 2.145 116 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.176 116 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.176 116 G C 0.376 175.573 174.900 0.495 0.000 1.013 116 G CA -0.018 45.422 45.100 0.565 0.000 0.689 116 G HN 1.202 nan 8.290 nan 0.000 0.506 117 L N 2.073 123.438 121.223 0.236 0.000 2.490 117 L HA 0.267 4.607 4.340 -0.000 0.000 0.274 117 L C -0.903 176.039 176.870 0.121 0.000 1.201 117 L CA -1.402 53.369 54.840 -0.115 0.000 0.869 117 L CB 0.493 42.392 42.059 -0.267 0.000 1.123 117 L HN 0.077 nan 8.230 nan 0.000 0.484 118 P HA -0.085 nan 4.420 nan 0.000 0.269 118 P C 0.541 177.920 177.300 0.131 0.000 1.209 118 P CA -0.353 62.859 63.100 0.187 0.000 0.776 118 P CB 0.898 32.745 31.700 0.245 0.000 0.876 119 L N 1.981 123.267 121.223 0.104 0.000 2.043 119 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 119 L C 0.888 177.786 176.870 0.048 0.000 1.075 119 L CA 2.015 56.890 54.840 0.059 0.000 0.752 119 L CB -0.630 41.477 42.059 0.079 0.000 0.891 119 L HN 0.453 nan 8.230 nan 0.000 0.432 120 Q N -1.143 118.690 119.800 0.055 0.000 2.375 120 Q HA 0.464 4.804 4.340 -0.000 0.000 0.271 120 Q C -1.246 174.738 176.000 -0.026 0.000 1.074 120 Q CA -0.885 54.933 55.803 0.025 0.000 0.808 120 Q CB 2.702 31.440 28.738 0.001 0.000 1.327 120 Q HN -0.042 nan 8.270 nan 0.000 0.441 121 V N 4.282 124.148 119.914 -0.079 0.000 2.508 121 V HA 0.167 4.287 4.120 -0.000 0.000 0.281 121 V C -2.030 173.882 176.094 -0.303 0.000 1.041 121 V CA -1.283 60.819 62.300 -0.330 0.000 1.016 121 V CB 0.446 32.118 31.823 -0.253 0.000 0.984 121 V HN 0.700 nan 8.190 nan 0.000 0.478 122 P HA 0.030 nan 4.420 nan 0.000 0.265 122 P C 0.368 177.567 177.300 -0.168 0.000 1.187 122 P CA 0.081 63.042 63.100 -0.233 0.000 0.766 122 P CB 0.551 32.109 31.700 -0.237 0.000 0.820 123 D N 1.204 121.552 120.400 -0.087 0.000 2.221 123 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 123 D C 1.301 177.572 176.300 -0.049 0.000 0.982 123 D CA 1.327 55.297 54.000 -0.050 0.000 0.857 123 D CB -0.025 40.761 40.800 -0.023 0.000 0.934 123 D HN 0.476 nan 8.370 nan 0.000 0.475 124 E N -0.606 119.559 120.200 -0.058 0.000 2.347 124 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 124 E C 0.120 176.691 176.600 -0.048 0.000 1.008 124 E CA 0.112 56.488 56.400 -0.040 0.000 0.852 124 E CB 0.292 29.975 29.700 -0.028 0.000 0.783 124 E HN 0.054 nan 8.360 nan 0.000 0.505 125 V N 1.089 120.947 119.914 -0.094 0.000 2.415 125 V HA 0.254 4.374 4.120 -0.000 0.000 0.267 125 V C 1.023 177.088 176.094 -0.050 0.000 1.042 125 V CA 0.959 63.206 62.300 -0.089 0.000 1.000 125 V CB 0.545 32.248 31.823 -0.200 0.000 1.015 125 V HN 0.295 nan 8.190 nan 0.000 0.478 126 K N 3.416 123.807 120.400 -0.015 0.000 2.362 126 K HA 0.592 4.912 4.320 -0.000 0.000 0.203 126 K C 1.280 177.885 176.600 0.009 0.000 1.198 126 K CA 0.855 57.139 56.287 -0.004 0.000 0.908 126 K CB -0.536 31.965 32.500 0.001 0.000 1.236 126 K HN 0.775 nan 8.250 nan 0.000 0.487 127 S N 0.611 116.324 115.700 0.022 0.000 2.624 127 S HA 0.428 4.898 4.470 -0.000 0.000 0.263 127 S C 1.380 176.014 174.600 0.058 0.000 1.287 127 S CA 0.200 58.420 58.200 0.035 0.000 0.990 127 S CB 0.667 63.890 63.200 0.039 0.000 0.950 127 S HN 0.290 nan 8.310 nan 0.000 0.561 128 S N 0.822 116.560 115.700 0.063 0.000 2.428 128 S HA 0.039 4.509 4.470 -0.000 0.000 0.230 128 S C 2.550 177.248 174.600 0.162 0.000 1.014 128 S CA 1.334 59.592 58.200 0.097 0.000 0.957 128 S CB -0.585 62.656 63.200 0.068 0.000 0.784 128 S HN 0.965 nan 8.310 nan 0.000 0.499 129 S N 1.596 117.369 115.700 0.120 0.000 2.387 129 S HA -0.097 4.373 4.470 -0.000 0.000 0.226 129 S C 1.578 176.255 174.600 0.129 0.000 1.026 129 S CA 1.170 59.443 58.200 0.121 0.000 0.972 129 S CB -0.305 62.943 63.200 0.080 0.000 0.814 129 S HN 0.279 nan 8.310 nan 0.000 0.477 130 D N 0.782 121.247 120.400 0.109 0.000 2.117 130 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 130 D C 1.864 178.258 176.300 0.157 0.000 0.982 130 D CA 0.700 54.761 54.000 0.101 0.000 0.828 130 D CB -0.293 40.539 40.800 0.053 0.000 0.967 130 D HN 0.354 nan 8.370 nan 0.000 0.464 131 L N 0.626 121.966 121.223 0.195 0.000 2.017 131 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 131 L C 2.240 179.397 176.870 0.479 0.000 1.073 131 L CA 1.196 56.225 54.840 0.316 0.000 0.745 131 L CB -0.744 41.520 42.059 0.340 0.000 0.894 131 L HN 0.031 nan 8.230 nan 0.000 0.432 132 L N -0.417 121.074 121.223 0.447 0.000 2.017 132 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 132 L C 2.716 179.660 176.870 0.123 0.000 1.073 132 L CA 1.877 56.866 54.840 0.248 0.000 0.745 132 L CB -0.729 41.425 42.059 0.158 0.000 0.894 132 L HN 0.289 nan 8.230 nan 0.000 0.432 133 R N -1.329 119.258 120.500 0.144 0.000 2.103 133 R HA -0.261 4.079 4.340 -0.000 0.000 0.242 133 R C 2.378 178.777 176.300 0.164 0.000 1.142 133 R CA 2.140 58.312 56.100 0.120 0.000 0.960 133 R CB -0.652 29.717 30.300 0.115 0.000 0.858 133 R HN 0.491 nan 8.270 nan 0.000 0.439 134 F N 0.392 120.362 119.950 0.033 0.000 2.075 134 F HA -0.233 4.294 4.527 -0.000 0.000 0.297 134 F C 1.560 177.397 175.800 0.062 0.000 1.113 134 F CA 1.484 59.474 58.000 -0.017 0.000 1.218 134 F CB -0.703 38.197 39.000 -0.166 0.000 0.984 134 F HN 0.001 nan 8.300 nan 0.000 0.472 135 Y N 0.562 120.827 120.300 -0.058 0.000 2.293 135 Y HA -0.137 4.413 4.550 0.000 0.000 0.291 135 Y C 2.592 178.615 175.900 0.206 0.000 1.137 135 Y CA 1.378 59.457 58.100 -0.035 0.000 1.202 135 Y CB -0.859 37.553 38.460 -0.079 0.000 0.990 135 Y HN 0.180 nan 8.280 nan 0.000 0.537 136 Q N -0.248 119.660 119.800 0.179 0.000 2.172 136 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 136 Q C 1.344 177.461 176.000 0.195 0.000 0.964 136 Q CA 0.852 56.751 55.803 0.160 0.000 0.855 136 Q CB -0.164 28.583 28.738 0.014 0.000 0.918 136 Q HN 0.503 nan 8.270 nan 0.000 0.444 137 N N -0.559 118.227 118.700 0.143 0.000 2.424 137 N HA -0.064 4.676 4.740 -0.000 0.000 0.178 137 N C 0.081 175.646 175.510 0.092 0.000 1.060 137 N CA -0.007 53.101 53.050 0.096 0.000 0.901 137 N CB -0.061 38.478 38.487 0.086 0.000 0.979 137 N HN 0.211 nan 8.380 nan 0.000 0.451 138 W N 3.152 124.395 121.300 -0.095 0.000 2.295 138 W HA 0.034 4.694 4.660 -0.000 0.000 0.335 138 W C -0.356 176.085 176.519 -0.129 0.000 1.351 138 W CA 0.225 57.475 57.345 -0.158 0.000 1.273 138 W CB 0.496 29.827 29.460 -0.215 0.000 1.214 138 W HN -0.098 nan 8.180 nan 0.000 0.563 139 Q N 8.389 127.657 119.800 -0.887 0.000 2.333 139 Q HA 0.315 4.655 4.340 -0.000 0.000 0.268 139 Q C -2.065 173.045 176.000 -1.483 0.000 1.007 139 Q CA -2.154 53.065 55.803 -0.973 0.000 0.810 139 Q CB 1.276 29.714 28.738 -0.501 0.000 1.264 139 Q HN 0.362 nan 8.270 nan 0.000 0.452 140 P HA 0.065 nan 4.420 nan 0.000 0.268 140 P C -0.240 176.651 177.300 -0.683 0.000 1.205 140 P CA 0.088 62.468 63.100 -1.200 0.000 0.771 140 P CB 0.957 32.138 31.700 -0.864 0.000 0.858 141 A N 2.819 125.265 122.820 -0.623 0.000 2.081 141 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 141 A C 0.379 177.351 177.584 -1.020 0.000 1.158 141 A CA 0.548 52.017 52.037 -0.946 0.000 0.724 141 A CB -0.124 17.981 19.000 -1.492 0.000 0.826 141 A HN 0.582 nan 8.150 nan 0.000 0.463 142 W N -2.603 118.641 121.300 -0.094 0.000 3.047 142 W HA 0.649 5.309 4.660 -0.000 0.000 0.341 142 W C -0.098 176.361 176.519 -0.100 0.000 1.225 142 W CA -1.230 56.067 57.345 -0.080 0.000 1.150 142 W CB 1.038 30.468 29.460 -0.050 0.000 1.470 142 W HN 0.111 nan 8.180 nan 0.000 0.578 143 A N 3.155 126.070 122.820 0.159 0.000 2.386 143 A HA 0.549 4.869 4.320 -0.000 0.000 0.248 143 A C -2.029 175.563 177.584 0.015 0.000 1.082 143 A CA -0.939 51.123 52.037 0.041 0.000 0.789 143 A CB -0.625 18.396 19.000 0.036 0.000 1.025 143 A HN 0.148 nan 8.150 nan 0.000 0.490 144 P HA 0.202 nan 4.420 nan 0.000 0.269 144 P C 0.796 177.979 177.300 -0.195 0.000 1.215 144 P CA 1.433 64.376 63.100 -0.261 0.000 0.780 144 P CB 0.512 31.903 31.700 -0.515 0.000 0.898 145 G N 1.306 109.971 108.800 -0.225 0.000 2.153 145 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 145 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 145 G C 0.641 175.487 174.900 -0.089 0.000 0.994 145 G CA 0.822 45.908 45.100 -0.023 0.000 0.698 145 G HN 0.776 nan 8.290 nan 0.000 0.521 146 T N -4.839 109.626 114.554 -0.148 0.000 2.987 146 T HA 0.438 4.788 4.350 -0.000 0.000 0.248 146 T C 0.592 175.140 174.700 -0.254 0.000 0.997 146 T CA 0.842 62.866 62.100 -0.126 0.000 1.013 146 T CB 0.600 69.436 68.868 -0.053 0.000 1.077 146 T HN 0.305 nan 8.240 nan 0.000 0.483 147 Q N 0.920 120.519 119.800 -0.335 0.000 2.372 147 Q HA 0.479 4.819 4.340 -0.000 0.000 0.273 147 Q C -1.337 174.454 176.000 -0.348 0.000 1.078 147 Q CA -0.574 54.953 55.803 -0.460 0.000 0.806 147 Q CB 3.134 31.306 28.738 -0.943 0.000 1.332 147 Q HN 0.361 nan 8.270 nan 0.000 0.435 148 R N 2.130 122.459 120.500 -0.285 0.000 2.255 148 R HA 0.514 4.854 4.340 -0.000 0.000 0.326 148 R C -1.246 175.010 176.300 -0.073 0.000 0.986 148 R CA -0.569 55.447 56.100 -0.140 0.000 0.847 148 R CB 0.482 30.737 30.300 -0.076 0.000 1.111 148 R HN 0.458 nan 8.270 nan 0.000 0.452 149 L N 6.136 127.379 121.223 0.034 0.000 2.427 149 L HA 0.250 4.590 4.340 -0.000 0.000 0.264 149 L C -1.358 175.530 176.870 0.029 0.000 0.989 149 L CA -0.696 54.187 54.840 0.072 0.000 0.865 149 L CB 0.950 43.130 42.059 0.201 0.000 1.209 149 L HN 0.621 nan 8.230 nan 0.000 0.430 150 Y N 4.748 124.891 120.300 -0.261 0.000 2.865 150 Y HA 0.313 4.863 4.550 -0.000 0.000 0.338 150 Y C 0.109 175.822 175.900 -0.312 0.000 1.269 150 Y CA 1.021 58.747 58.100 -0.624 0.000 1.585 150 Y CB 0.285 38.472 38.460 -0.454 0.000 1.224 150 Y HN 0.810 nan 8.280 nan 0.000 0.554 151 A N 5.553 127.980 122.820 -0.655 0.000 2.540 151 A HA 0.312 4.632 4.320 -0.000 0.000 0.297 151 A C -0.107 177.396 177.584 -0.136 0.000 1.056 151 A CA -0.933 50.957 52.037 -0.245 0.000 0.700 151 A CB 0.979 19.986 19.000 0.012 0.000 1.280 151 A HN 0.753 nan 8.150 nan 0.000 0.398 152 N N 1.041 119.697 118.700 -0.074 0.000 2.142 152 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 152 N C 2.057 177.639 175.510 0.121 0.000 1.023 152 N CA 1.983 55.062 53.050 0.050 0.000 0.852 152 N CB -0.198 38.370 38.487 0.134 0.000 0.998 152 N HN 0.844 nan 8.380 nan 0.000 0.424 153 S N -0.830 114.962 115.700 0.153 0.000 2.469 153 S HA -0.022 4.448 4.470 -0.000 0.000 0.238 153 S C 2.018 176.790 174.600 0.286 0.000 0.998 153 S CA 1.170 59.535 58.200 0.275 0.000 0.957 153 S CB -0.131 63.265 63.200 0.327 0.000 0.764 153 S HN 0.212 nan 8.310 nan 0.000 0.514 154 S N 1.146 116.961 115.700 0.192 0.000 2.324 154 S HA 0.247 4.717 4.470 -0.000 0.000 0.210 154 S C 1.639 176.328 174.600 0.148 0.000 1.027 154 S CA 0.470 58.771 58.200 0.168 0.000 0.945 154 S CB -0.563 62.758 63.200 0.202 0.000 0.908 154 S HN 0.564 nan 8.310 nan 0.000 0.496 155 I N 1.259 121.915 120.570 0.143 0.000 2.493 155 I HA 0.010 4.180 4.170 -0.000 0.000 0.254 155 I C 2.085 178.280 176.117 0.130 0.000 1.160 155 I CA 1.159 62.527 61.300 0.112 0.000 1.445 155 I CB -0.550 37.490 38.000 0.066 0.000 1.086 155 I HN 0.480 nan 8.210 nan 0.000 0.433 156 G N 0.931 109.780 108.800 0.081 0.000 2.418 156 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 156 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 156 G C 1.527 176.394 174.900 -0.055 0.000 1.158 156 G CA 0.815 45.901 45.100 -0.022 0.000 0.771 156 G HN 0.385 nan 8.290 nan 0.000 0.545 157 L N -0.247 120.994 121.223 0.030 0.000 2.141 157 L HA 0.190 4.529 4.340 -0.000 0.000 0.209 157 L C 2.384 179.221 176.870 -0.056 0.000 1.094 157 L CA 1.303 56.110 54.840 -0.055 0.000 0.763 157 L CB -0.659 41.335 42.059 -0.109 0.000 0.908 157 L HN 0.235 nan 8.230 nan 0.000 0.437 158 F N 0.297 120.193 119.950 -0.090 0.000 2.102 158 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 158 F C 2.145 177.887 175.800 -0.096 0.000 1.105 158 F CA 1.691 59.638 58.000 -0.089 0.000 1.239 158 F CB -0.999 37.956 39.000 -0.076 0.000 0.991 158 F HN 0.095 nan 8.300 nan 0.000 0.474 159 G N -0.170 108.499 108.800 -0.218 0.000 2.421 159 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 159 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 159 G C 1.818 176.567 174.900 -0.251 0.000 1.171 159 G CA 0.883 45.833 45.100 -0.250 0.000 0.775 159 G HN 0.640 nan 8.290 nan 0.000 0.543 160 A N -0.027 122.600 122.820 -0.322 0.000 1.969 160 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 160 A C 2.284 179.705 177.584 -0.272 0.000 1.169 160 A CA 1.217 53.086 52.037 -0.279 0.000 0.635 160 A CB -0.245 18.557 19.000 -0.330 0.000 0.810 160 A HN 0.298 nan 8.150 nan 0.000 0.445 161 L N -0.805 120.224 121.223 -0.324 0.000 2.209 161 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 161 L C 2.870 179.485 176.870 -0.424 0.000 1.094 161 L CA 1.435 56.087 54.840 -0.315 0.000 0.790 161 L CB -1.124 40.792 42.059 -0.238 0.000 0.932 161 L HN 0.371 nan 8.230 nan 0.000 0.447 162 A N -0.280 122.201 122.820 -0.565 0.000 1.978 162 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 162 A C 2.082 179.453 177.584 -0.355 0.000 1.170 162 A CA 1.951 53.623 52.037 -0.607 0.000 0.636 162 A CB -0.858 17.624 19.000 -0.863 0.000 0.810 162 A HN 0.324 nan 8.150 nan 0.000 0.448 163 V N -4.041 115.728 119.914 -0.241 0.000 3.623 163 V HA 0.066 4.186 4.120 -0.000 0.000 0.271 163 V C 1.766 177.786 176.094 -0.123 0.000 1.248 163 V CA 1.054 63.257 62.300 -0.161 0.000 1.156 163 V CB -0.474 31.282 31.823 -0.112 0.000 0.870 163 V HN 0.146 nan 8.190 nan 0.000 0.453 164 K N 1.840 122.163 120.400 -0.127 0.000 2.001 164 K HA -0.051 4.269 4.320 -0.000 0.000 0.214 164 K C 0.275 176.866 176.600 -0.015 0.000 1.050 164 K CA 2.087 58.338 56.287 -0.060 0.000 0.934 164 K CB -2.092 30.407 32.500 -0.002 0.000 0.718 164 K HN 0.455 nan 8.250 nan 0.000 0.443 165 P HA -0.151 nan 4.420 nan 0.000 0.216 165 P C 1.349 178.644 177.300 -0.007 0.000 1.153 165 P CA 1.914 65.034 63.100 0.033 0.000 0.858 165 P CB -0.146 31.588 31.700 0.056 0.000 0.789 166 S N -1.796 113.880 115.700 -0.039 0.000 2.474 166 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 166 S C 1.910 176.482 174.600 -0.047 0.000 0.997 166 S CA 1.072 59.242 58.200 -0.050 0.000 0.949 166 S CB -1.466 61.688 63.200 -0.077 0.000 0.766 166 S HN 0.333 nan 8.310 nan 0.000 0.517 167 G N 0.672 109.445 108.800 -0.044 0.000 2.245 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 167 G C 0.032 174.901 174.900 -0.052 0.000 0.985 167 G CA 0.538 45.613 45.100 -0.041 0.000 0.625 167 G HN 0.582 nan 8.290 nan 0.000 0.536 168 L N 1.715 122.897 121.223 -0.068 0.000 2.439 168 L HA 0.566 4.906 4.340 -0.000 0.000 0.261 168 L C 1.528 178.351 176.870 -0.078 0.000 1.153 168 L CA -0.177 54.616 54.840 -0.079 0.000 0.808 168 L CB 1.231 43.227 42.059 -0.105 0.000 1.126 168 L HN 0.410 nan 8.230 nan 0.000 0.460 169 S N 0.454 116.112 115.700 -0.070 0.000 2.600 169 S HA 0.065 4.535 4.470 -0.000 0.000 0.265 169 S C 0.836 175.404 174.600 -0.052 0.000 1.325 169 S CA -0.375 57.799 58.200 -0.044 0.000 1.002 169 S CB 0.473 63.654 63.200 -0.032 0.000 0.921 169 S HN 0.537 nan 8.310 nan 0.000 0.554 170 F N 1.187 121.048 119.950 -0.147 0.000 2.095 170 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 170 F C 2.541 178.230 175.800 -0.184 0.000 1.104 170 F CA 2.232 60.129 58.000 -0.172 0.000 1.232 170 F CB -0.492 38.405 39.000 -0.172 0.000 0.987 170 F HN 0.944 nan 8.300 nan 0.000 0.475 171 E N -0.086 120.072 120.200 -0.070 0.000 2.077 171 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 171 E C 2.327 178.777 176.600 -0.250 0.000 0.989 171 E CA 1.667 57.972 56.400 -0.157 0.000 0.800 171 E CB -0.321 29.374 29.700 -0.009 0.000 0.746 171 E HN 0.586 nan 8.360 nan 0.000 0.452 172 Q N 0.528 120.221 119.800 -0.179 0.000 2.084 172 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 172 Q C 2.225 178.077 176.000 -0.247 0.000 0.978 172 Q CA 1.939 57.640 55.803 -0.169 0.000 0.844 172 Q CB -0.984 27.688 28.738 -0.110 0.000 0.898 172 Q HN 0.514 nan 8.270 nan 0.000 0.426 173 A N -0.123 122.513 122.820 -0.306 0.000 1.902 173 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 173 A C 2.343 179.653 177.584 -0.457 0.000 1.181 173 A CA 2.300 54.133 52.037 -0.339 0.000 0.623 173 A CB -0.397 18.392 19.000 -0.351 0.000 0.818 173 A HN 0.632 nan 8.150 nan 0.000 0.443 174 M N -0.404 118.789 119.600 -0.679 0.000 2.086 174 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 174 M C 2.149 177.897 176.300 -0.919 0.000 1.067 174 M CA 2.066 56.830 55.300 -0.894 0.000 1.116 174 M CB -0.640 31.264 32.600 -1.159 0.000 1.348 174 M HN 0.537 nan 8.290 nan 0.000 0.407 175 Q N -1.081 118.311 119.800 -0.680 0.000 1.993 175 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 175 Q C 1.974 177.821 176.000 -0.255 0.000 0.984 175 Q CA 2.851 58.412 55.803 -0.403 0.000 0.837 175 Q CB -0.326 28.280 28.738 -0.219 0.000 0.902 175 Q HN 0.783 nan 8.270 nan 0.000 0.423 176 T N -1.911 112.508 114.554 -0.225 0.000 2.777 176 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 176 T C 1.738 176.356 174.700 -0.137 0.000 1.040 176 T CA 1.148 63.158 62.100 -0.151 0.000 1.141 176 T CB -0.112 68.678 68.868 -0.130 0.000 0.868 176 T HN 0.111 nan 8.240 nan 0.000 0.444 177 R N -0.193 120.199 120.500 -0.181 0.000 2.223 177 R HA 0.367 4.707 4.340 -0.000 0.000 0.198 177 R C 1.840 178.086 176.300 -0.090 0.000 0.984 177 R CA 0.345 56.367 56.100 -0.129 0.000 1.018 177 R CB 0.341 30.554 30.300 -0.144 0.000 0.945 177 R HN 0.344 nan 8.270 nan 0.000 0.479 178 V N -1.557 118.272 119.914 -0.142 0.000 3.054 178 V HA 0.049 4.168 4.120 -0.000 0.000 0.227 178 V C 1.306 177.482 176.094 0.136 0.000 1.252 178 V CA 0.343 62.641 62.300 -0.004 0.000 1.279 178 V CB -0.394 31.403 31.823 -0.044 0.000 1.118 178 V HN -0.018 nan 8.190 nan 0.000 0.504 179 F N 1.633 121.507 119.950 -0.127 0.000 2.069 179 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 179 F C 2.630 178.339 175.800 -0.151 0.000 1.113 179 F CA 1.557 59.446 58.000 -0.184 0.000 1.214 179 F CB -1.242 37.549 39.000 -0.348 0.000 0.978 179 F HN 0.211 nan 8.300 nan 0.000 0.474 180 Q N -0.205 119.622 119.800 0.045 0.000 2.020 180 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 180 Q C -0.251 175.749 176.000 -0.000 0.000 0.982 180 Q CA 1.773 57.564 55.803 -0.020 0.000 0.838 180 Q CB -1.570 27.136 28.738 -0.053 0.000 0.899 180 Q HN 0.265 nan 8.270 nan 0.000 0.423 181 P HA -0.162 nan 4.420 nan 0.000 0.218 181 P C 0.737 178.063 177.300 0.044 0.000 1.146 181 P CA 1.259 64.371 63.100 0.021 0.000 0.813 181 P CB 0.024 31.738 31.700 0.023 0.000 0.778 182 L N -1.747 119.526 121.223 0.083 0.000 2.592 182 L HA 0.164 4.504 4.340 -0.000 0.000 0.227 182 L C 0.505 177.415 176.870 0.068 0.000 1.127 182 L CA 0.144 55.048 54.840 0.107 0.000 0.884 182 L CB -0.491 41.699 42.059 0.218 0.000 1.065 182 L HN -0.056 nan 8.230 nan 0.000 0.457 183 K N 0.693 121.107 120.400 0.024 0.000 3.117 183 K HA -0.160 4.160 4.320 -0.000 0.000 0.269 183 K C -0.186 176.387 176.600 -0.046 0.000 1.098 183 K CA 0.311 56.587 56.287 -0.018 0.000 0.785 183 K CB -1.636 30.861 32.500 -0.005 0.000 1.242 183 K HN 0.291 nan 8.250 nan 0.000 0.491 184 L N 1.480 122.659 121.223 -0.073 0.000 2.399 184 L HA 0.109 4.449 4.340 -0.000 0.000 0.257 184 L C 1.008 177.672 176.870 -0.343 0.000 1.236 184 L CA -0.471 54.262 54.840 -0.179 0.000 1.144 184 L CB 0.059 41.966 42.059 -0.254 0.000 1.379 184 L HN 0.153 nan 8.230 nan 0.000 0.414 185 N N 0.238 118.755 118.700 -0.305 0.000 2.571 185 N HA -0.069 4.671 4.740 -0.000 0.000 0.189 185 N C 0.659 175.710 175.510 -0.765 0.000 1.154 185 N CA 0.815 53.573 53.050 -0.487 0.000 0.907 185 N CB 0.101 38.336 38.487 -0.419 0.000 0.977 185 N HN 0.491 nan 8.380 nan 0.000 0.449 186 H N -0.970 117.931 119.070 -0.282 0.000 2.651 186 H HA 0.268 4.824 4.556 -0.000 0.000 0.241 186 H C -0.374 174.747 175.328 -0.344 0.000 1.225 186 H CA -0.114 55.823 56.048 -0.185 0.000 0.942 186 H CB 0.317 30.052 29.762 -0.046 0.000 1.996 186 H HN -0.123 nan 8.280 nan 0.000 0.600 187 T N 0.754 114.869 114.554 -0.731 0.000 2.812 187 T HA 0.369 4.719 4.350 -0.000 0.000 0.282 187 T C -0.616 173.405 174.700 -1.131 0.000 0.990 187 T CA -0.472 61.085 62.100 -0.904 0.000 0.960 187 T CB 1.450 69.516 68.868 -1.338 0.000 0.948 187 T HN 0.225 nan 8.240 nan 0.000 0.438 188 W N 1.508 122.535 121.300 -0.455 0.000 3.107 188 W HA 0.576 5.236 4.660 0.000 0.000 0.331 188 W C 0.514 176.928 176.519 -0.176 0.000 1.204 188 W CA -0.822 56.383 57.345 -0.233 0.000 1.184 188 W CB 1.195 30.518 29.460 -0.229 0.000 1.421 188 W HN 0.488 nan 8.180 nan 0.000 0.544 189 I N 1.064 121.765 120.570 0.219 0.000 2.556 189 I HA 0.034 4.204 4.170 -0.000 0.000 0.251 189 I C 0.060 176.202 176.117 0.041 0.000 1.105 189 I CA 0.588 61.940 61.300 0.088 0.000 1.436 189 I CB 0.011 38.071 38.000 0.099 0.000 1.139 189 I HN 0.318 nan 8.210 nan 0.000 0.438 190 N N 0.355 119.109 118.700 0.090 0.000 2.476 190 N HA 0.293 5.033 4.740 -0.000 0.000 0.257 190 N C -0.946 174.468 175.510 -0.160 0.000 0.970 190 N CA -0.300 52.731 53.050 -0.031 0.000 0.938 190 N CB 2.047 40.521 38.487 -0.022 0.000 1.144 190 N HN -0.182 nan 8.380 nan 0.000 0.500 191 V N 4.529 124.262 119.914 -0.302 0.000 2.446 191 V HA 0.162 4.282 4.120 -0.000 0.000 0.276 191 V C -1.457 174.290 176.094 -0.578 0.000 1.030 191 V CA -1.061 60.905 62.300 -0.557 0.000 1.033 191 V CB -0.058 31.422 31.823 -0.571 0.000 0.993 191 V HN 0.600 nan 8.190 nan 0.000 0.477 192 P HA 0.242 nan 4.420 nan 0.000 0.274 192 P C -2.239 174.837 177.300 -0.374 0.000 1.237 192 P CA -1.701 61.037 63.100 -0.604 0.000 0.793 192 P CB 0.363 31.591 31.700 -0.788 0.000 0.977 193 P HA -0.238 nan 4.420 nan 0.000 0.216 193 P C 1.495 178.716 177.300 -0.132 0.000 1.157 193 P CA 2.428 65.439 63.100 -0.149 0.000 0.880 193 P CB -0.555 31.080 31.700 -0.109 0.000 0.791 194 A N -0.294 122.441 122.820 -0.141 0.000 2.024 194 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 194 A C 2.046 179.580 177.584 -0.083 0.000 1.164 194 A CA 1.554 53.536 52.037 -0.092 0.000 0.643 194 A CB -0.828 18.130 19.000 -0.071 0.000 0.806 194 A HN 0.158 nan 8.150 nan 0.000 0.451 195 E N -0.747 119.364 120.200 -0.148 0.000 2.452 195 E HA -0.020 4.330 4.350 -0.000 0.000 0.197 195 E C 1.485 178.030 176.600 -0.093 0.000 1.022 195 E CA 0.156 56.487 56.400 -0.115 0.000 0.890 195 E CB -0.050 29.535 29.700 -0.192 0.000 0.918 195 E HN 0.751 nan 8.360 nan 0.000 0.496 196 E N 1.443 121.587 120.200 -0.093 0.000 2.130 196 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 196 E C 1.953 178.546 176.600 -0.011 0.000 0.998 196 E CA 1.743 58.124 56.400 -0.031 0.000 0.806 196 E CB -0.032 29.643 29.700 -0.042 0.000 0.738 196 E HN 0.247 nan 8.360 nan 0.000 0.459 197 K N 0.106 120.494 120.400 -0.020 0.000 2.209 197 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 197 K C 1.409 178.008 176.600 -0.002 0.000 1.048 197 K CA 1.376 57.658 56.287 -0.009 0.000 0.940 197 K CB 0.018 32.514 32.500 -0.005 0.000 0.729 197 K HN 0.000 nan 8.250 nan 0.000 0.451 198 N N -0.139 118.560 118.700 -0.002 0.000 2.353 198 N HA -0.074 4.666 4.740 -0.000 0.000 0.185 198 N C -0.492 175.034 175.510 0.027 0.000 1.098 198 N CA 0.174 53.223 53.050 -0.002 0.000 0.872 198 N CB 0.084 38.557 38.487 -0.024 0.000 0.970 198 N HN 0.169 nan 8.380 nan 0.000 0.467 199 Y N 3.130 123.338 120.300 -0.155 0.000 2.584 199 Y HA 0.317 4.867 4.550 0.000 0.000 0.351 199 Y C 0.337 176.122 175.900 -0.191 0.000 1.030 199 Y CA -1.628 56.347 58.100 -0.208 0.000 1.332 199 Y CB -0.679 37.605 38.460 -0.293 0.000 1.148 199 Y HN -0.044 nan 8.280 nan 0.000 0.528 200 A N 6.058 128.932 122.820 0.090 0.000 2.406 200 A HA 0.187 4.507 4.320 -0.000 0.000 0.243 200 A C -0.632 176.991 177.584 0.064 0.000 1.082 200 A CA -0.377 51.674 52.037 0.023 0.000 0.786 200 A CB 0.236 19.202 19.000 -0.056 0.000 1.029 200 A HN 0.892 nan 8.150 nan 0.000 0.495 201 W N 0.086 121.388 121.300 0.003 0.000 2.376 201 W HA 0.501 5.161 4.660 -0.000 0.000 0.322 201 W C 0.810 176.993 176.519 -0.560 0.000 1.160 201 W CA 0.051 57.194 57.345 -0.338 0.000 1.218 201 W CB 1.485 30.598 29.460 -0.578 0.000 1.205 201 W HN 0.939 nan 8.180 nan 0.000 0.559 202 G N 1.423 110.024 108.800 -0.332 0.000 2.477 202 G HA2 0.520 4.480 3.960 -0.000 0.000 0.304 202 G HA3 0.520 4.480 3.960 -0.000 0.000 0.304 202 G C -2.151 172.329 174.900 -0.700 0.000 1.175 202 G CA -0.441 44.156 45.100 -0.839 0.000 0.907 202 G HN 0.460 nan 8.290 nan 0.000 0.509 203 Y N -0.290 119.902 120.300 -0.180 0.000 2.346 203 Y HA 0.543 5.093 4.550 -0.000 0.000 0.332 203 Y C 0.358 176.233 175.900 -0.042 0.000 0.985 203 Y CA -0.857 57.193 58.100 -0.084 0.000 1.112 203 Y CB 2.365 40.786 38.460 -0.064 0.000 1.170 203 Y HN 0.498 nan 8.280 nan 0.000 0.447 204 R N 3.458 124.015 120.500 0.095 0.000 2.502 204 R HA 0.275 4.615 4.340 -0.000 0.000 0.298 204 R C -0.878 175.456 176.300 0.057 0.000 1.018 204 R CA -0.321 55.821 56.100 0.071 0.000 0.899 204 R CB 0.851 31.180 30.300 0.048 0.000 1.181 204 R HN 0.910 nan 8.270 nan 0.000 0.444 205 E N 2.845 123.077 120.200 0.054 0.000 2.416 205 E HA -0.235 4.115 4.350 -0.000 0.000 0.249 205 E C 0.531 177.150 176.600 0.032 0.000 1.124 205 E CA 0.934 57.354 56.400 0.033 0.000 0.732 205 E CB -1.440 28.272 29.700 0.020 0.000 1.286 205 E HN 1.201 nan 8.360 nan 0.000 0.394 206 G N -1.251 107.581 108.800 0.053 0.000 2.220 206 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.269 206 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.269 206 G C 0.435 175.390 174.900 0.091 0.000 0.977 206 G CA 1.521 46.650 45.100 0.048 0.000 0.634 206 G HN 0.899 nan 8.290 nan 0.000 0.539 207 K N -0.101 120.337 120.400 0.065 0.000 2.156 207 K HA 0.932 5.252 4.320 -0.000 0.000 0.271 207 K C 0.302 176.847 176.600 -0.092 0.000 0.995 207 K CA 0.414 56.691 56.287 -0.017 0.000 0.890 207 K CB 1.326 33.791 32.500 -0.057 0.000 1.073 207 K HN 1.880 nan 8.250 nan 0.000 0.454 208 A N 1.398 124.026 122.820 -0.320 0.000 2.409 208 A HA 0.585 4.905 4.320 -0.000 0.000 0.267 208 A C 0.329 177.596 177.584 -0.528 0.000 1.127 208 A CA 0.193 51.781 52.037 -0.748 0.000 0.795 208 A CB -0.515 17.734 19.000 -1.252 0.000 1.061 208 A HN 1.837 nan 8.150 nan 0.000 0.502 209 V N 0.815 120.568 119.914 -0.268 0.000 3.114 209 V HA 0.726 4.846 4.120 -0.000 0.000 0.308 209 V C -0.708 175.503 176.094 0.194 0.000 1.168 209 V CA -0.850 61.449 62.300 -0.002 0.000 1.015 209 V CB 1.392 33.230 31.823 0.025 0.000 1.050 209 V HN 0.965 nan 8.190 nan 0.000 0.433 210 H N -0.118 119.116 119.070 0.274 0.000 2.747 210 H HA 0.667 5.223 4.556 -0.000 0.000 0.371 210 H C -0.638 174.819 175.328 0.216 0.000 1.161 210 H CA -0.934 55.248 56.048 0.223 0.000 1.167 210 H CB 2.288 32.081 29.762 0.052 0.000 1.732 210 H HN 0.814 nan 8.280 nan 0.000 0.544 211 V N 2.312 122.450 119.914 0.373 0.000 2.694 211 V HA -0.035 4.085 4.120 -0.000 0.000 0.306 211 V C -0.026 176.207 176.094 0.232 0.000 1.054 211 V CA 0.569 63.034 62.300 0.276 0.000 1.161 211 V CB 0.894 32.885 31.823 0.280 0.000 0.916 211 V HN 0.715 nan 8.190 nan 0.000 0.490 212 S N 7.867 123.683 115.700 0.193 0.000 2.562 212 S HA 0.499 4.969 4.470 -0.000 0.000 0.275 212 S C -2.186 172.514 174.600 0.166 0.000 1.281 212 S CA -0.821 57.473 58.200 0.157 0.000 1.045 212 S CB 1.177 64.446 63.200 0.116 0.000 0.962 212 S HN 0.891 nan 8.310 nan 0.000 0.503 213 P HA 0.413 nan 4.420 nan 0.000 0.269 213 P C -0.168 177.191 177.300 0.099 0.000 1.215 213 P CA -0.225 62.930 63.100 0.091 0.000 0.780 213 P CB 0.400 32.132 31.700 0.052 0.000 0.898 214 G N -0.838 108.009 108.800 0.078 0.000 2.576 214 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 214 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 214 G C -1.497 173.411 174.900 0.014 0.000 1.442 214 G CA -0.361 44.787 45.100 0.079 0.000 0.792 214 G HN 0.529 nan 8.290 nan 0.000 0.491 215 A N 0.147 122.966 122.820 -0.002 0.000 2.488 215 A HA 0.571 4.891 4.320 -0.000 0.000 0.249 215 A C 1.369 178.922 177.584 -0.053 0.000 1.083 215 A CA 0.494 52.511 52.037 -0.035 0.000 0.768 215 A CB -0.464 18.511 19.000 -0.042 0.000 1.017 215 A HN 1.762 nan 8.150 nan 0.000 0.496 216 L N 0.650 121.805 121.223 -0.113 0.000 4.232 216 L HA -0.316 4.024 4.340 -0.000 0.000 0.415 216 L C 1.157 177.828 176.870 -0.331 0.000 1.168 216 L CA 0.640 55.366 54.840 -0.191 0.000 0.966 216 L CB -1.848 40.160 42.059 -0.085 0.000 2.052 216 L HN 0.991 nan 8.230 nan 0.000 0.887 217 D N 0.347 120.512 120.400 -0.392 0.000 2.097 217 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 217 D C 1.979 177.837 176.300 -0.736 0.000 0.989 217 D CA 1.457 54.945 54.000 -0.852 0.000 0.827 217 D CB -0.161 40.347 40.800 -0.486 0.000 0.966 217 D HN 0.425 nan 8.370 nan 0.000 0.456 218 A N 0.879 123.451 122.820 -0.414 0.000 1.892 218 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 218 A C 2.127 179.501 177.584 -0.350 0.000 1.188 218 A CA 2.102 53.978 52.037 -0.269 0.000 0.631 218 A CB -0.793 18.132 19.000 -0.125 0.000 0.822 218 A HN 0.235 nan 8.150 nan 0.000 0.447 219 E N -0.557 119.246 120.200 -0.661 0.000 2.208 219 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 219 E C 1.842 178.271 176.600 -0.285 0.000 0.988 219 E CA 1.173 57.108 56.400 -0.776 0.000 0.828 219 E CB -0.180 28.996 29.700 -0.873 0.000 0.763 219 E HN 0.618 nan 8.360 nan 0.000 0.478 220 A N -0.583 122.075 122.820 -0.270 0.000 2.127 220 A HA 0.140 4.460 4.320 -0.000 0.000 0.204 220 A C 0.662 178.307 177.584 0.101 0.000 1.243 220 A CA 0.326 52.334 52.037 -0.048 0.000 0.887 220 A CB 0.107 19.143 19.000 0.060 0.000 0.933 220 A HN 0.380 nan 8.150 nan 0.000 0.479 221 Y N -4.256 116.066 120.300 0.037 0.000 3.075 221 Y HA 0.452 5.002 4.550 -0.000 0.000 0.270 221 Y C 0.861 176.790 175.900 0.048 0.000 1.071 221 Y CA -0.468 57.672 58.100 0.066 0.000 1.269 221 Y CB -0.447 38.060 38.460 0.077 0.000 1.291 221 Y HN -0.009 nan 8.280 nan 0.000 0.613 222 G N 0.822 109.548 108.800 -0.124 0.000 3.189 222 G HA2 0.352 4.312 3.960 -0.000 0.000 0.225 222 G HA3 0.352 4.312 3.960 -0.000 0.000 0.225 222 G C -0.181 174.698 174.900 -0.035 0.000 1.159 222 G CA 0.096 45.151 45.100 -0.075 0.000 0.763 222 G HN 0.121 nan 8.290 nan 0.000 0.549 223 V N 0.458 120.352 119.914 -0.033 0.000 2.546 223 V HA 0.420 4.540 4.120 -0.000 0.000 0.284 223 V C -0.235 175.775 176.094 -0.141 0.000 1.050 223 V CA -0.470 61.756 62.300 -0.123 0.000 0.981 223 V CB 1.426 33.085 31.823 -0.274 0.000 0.990 223 V HN 0.127 nan 8.190 nan 0.000 0.474 224 K N 2.396 122.676 120.400 -0.201 0.000 2.324 224 K HA 0.798 5.118 4.320 -0.000 0.000 0.253 224 K C -0.470 176.005 176.600 -0.208 0.000 0.932 224 K CA -0.164 55.992 56.287 -0.218 0.000 0.799 224 K CB 2.050 34.324 32.500 -0.378 0.000 1.154 224 K HN 0.737 nan 8.250 nan 0.000 0.425 225 S N 0.108 115.746 115.700 -0.104 0.000 2.688 225 S HA 0.637 5.107 4.470 -0.000 0.000 0.275 225 S C -1.339 173.315 174.600 0.090 0.000 1.175 225 S CA -0.673 57.478 58.200 -0.081 0.000 0.818 225 S CB 0.986 64.100 63.200 -0.142 0.000 1.157 225 S HN 0.673 nan 8.310 nan 0.000 0.482 226 T N -0.119 114.490 114.554 0.092 0.000 2.952 226 T HA 0.548 4.898 4.350 -0.000 0.000 0.286 226 T C 1.174 175.979 174.700 0.174 0.000 1.024 226 T CA -0.556 61.644 62.100 0.167 0.000 1.029 226 T CB 1.004 69.915 68.868 0.070 0.000 1.094 226 T HN 0.447 nan 8.240 nan 0.000 0.515 227 I N 0.656 121.347 120.570 0.201 0.000 2.361 227 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 227 I C 2.314 178.563 176.117 0.220 0.000 1.133 227 I CA 1.547 62.974 61.300 0.211 0.000 1.413 227 I CB -0.521 37.627 38.000 0.246 0.000 1.073 227 I HN 0.875 nan 8.210 nan 0.000 0.424 228 E N -0.060 120.171 120.200 0.052 0.000 2.046 228 E HA -0.214 4.136 4.350 -0.000 0.000 0.190 228 E C 1.726 178.409 176.600 0.139 0.000 0.982 228 E CA 1.367 57.784 56.400 0.029 0.000 0.800 228 E CB -0.050 29.567 29.700 -0.139 0.000 0.756 228 E HN 0.465 nan 8.360 nan 0.000 0.449 229 D N -0.034 120.429 120.400 0.105 0.000 2.144 229 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 229 D C 1.783 178.200 176.300 0.194 0.000 0.984 229 D CA 0.889 54.950 54.000 0.102 0.000 0.834 229 D CB -0.011 40.790 40.800 0.002 0.000 0.955 229 D HN 0.098 nan 8.370 nan 0.000 0.465 230 M N 0.268 120.001 119.600 0.222 0.000 2.213 230 M HA -0.009 4.471 4.480 -0.000 0.000 0.263 230 M C 2.132 178.620 176.300 0.313 0.000 1.062 230 M CA 0.630 56.121 55.300 0.318 0.000 1.105 230 M CB -0.996 31.772 32.600 0.280 0.000 1.385 230 M HN -0.019 nan 8.290 nan 0.000 0.417 231 A N 0.353 123.331 122.820 0.264 0.000 1.930 231 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 231 A C 2.527 180.190 177.584 0.133 0.000 1.175 231 A CA 2.210 54.364 52.037 0.195 0.000 0.627 231 A CB -0.819 18.337 19.000 0.261 0.000 0.815 231 A HN 0.484 nan 8.150 nan 0.000 0.443 232 R N -1.064 119.539 120.500 0.172 0.000 2.092 232 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 232 R C 2.178 178.581 176.300 0.173 0.000 1.119 232 R CA 1.357 57.536 56.100 0.132 0.000 0.970 232 R CB -1.829 28.552 30.300 0.135 0.000 0.864 232 R HN 0.890 nan 8.270 nan 0.000 0.440 233 W N 0.620 121.945 121.300 0.041 0.000 2.338 233 W HA -0.206 4.454 4.660 0.000 0.000 0.304 233 W C 1.485 177.962 176.519 -0.069 0.000 1.212 233 W CA 1.685 59.050 57.345 0.034 0.000 1.264 233 W CB 0.058 29.585 29.460 0.113 0.000 1.142 233 W HN 0.183 nan 8.180 nan 0.000 0.512 234 V N 1.040 120.882 119.914 -0.120 0.000 2.379 234 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 234 V C 2.328 178.080 176.094 -0.570 0.000 1.044 234 V CA 2.044 64.065 62.300 -0.464 0.000 1.036 234 V CB -0.943 30.740 31.823 -0.233 0.000 0.664 234 V HN 0.207 nan 8.190 nan 0.000 0.453 235 Q N -0.090 119.526 119.800 -0.307 0.000 2.124 235 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 235 Q C 2.477 178.293 176.000 -0.307 0.000 0.977 235 Q CA 1.918 57.555 55.803 -0.277 0.000 0.850 235 Q CB -0.212 28.438 28.738 -0.147 0.000 0.901 235 Q HN 0.627 nan 8.270 nan 0.000 0.429 236 S N 0.920 116.455 115.700 -0.275 0.000 2.368 236 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 236 S C 1.518 175.879 174.600 -0.398 0.000 1.029 236 S CA 0.882 58.932 58.200 -0.251 0.000 0.988 236 S CB -0.174 62.948 63.200 -0.130 0.000 0.838 236 S HN 0.385 nan 8.310 nan 0.000 0.462 237 N N 1.130 119.434 118.700 -0.659 0.000 2.396 237 N HA 0.119 4.859 4.740 -0.000 0.000 0.180 237 N C 1.559 176.599 175.510 -0.784 0.000 1.028 237 N CA 0.535 53.117 53.050 -0.780 0.000 0.893 237 N CB -0.120 37.699 38.487 -1.114 0.000 0.967 237 N HN 0.340 nan 8.380 nan 0.000 0.440 238 L N 0.228 120.962 121.223 -0.815 0.000 2.095 238 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 238 L C 0.619 177.293 176.870 -0.327 0.000 1.080 238 L CA 1.043 55.531 54.840 -0.586 0.000 0.759 238 L CB 0.160 41.913 42.059 -0.510 0.000 0.914 238 L HN -0.113 nan 8.230 nan 0.000 0.439 239 K N -0.741 119.486 120.400 -0.288 0.000 2.842 239 K HA 0.183 4.503 4.320 -0.000 0.000 0.176 239 K C -1.824 174.679 176.600 -0.162 0.000 1.080 239 K CA -1.292 54.881 56.287 -0.190 0.000 0.954 239 K CB 1.173 33.578 32.500 -0.159 0.000 1.203 239 K HN -0.158 nan 8.250 nan 0.000 0.611 240 P HA -0.171 nan 4.420 nan 0.000 0.218 240 P C 0.973 178.227 177.300 -0.077 0.000 1.149 240 P CA 0.695 63.725 63.100 -0.116 0.000 0.817 240 P CB 0.328 31.965 31.700 -0.104 0.000 0.785 241 L N 0.267 121.446 121.223 -0.074 0.000 2.353 241 L HA -0.106 4.234 4.340 -0.000 0.000 0.220 241 L C 1.493 178.332 176.870 -0.052 0.000 1.133 241 L CA 1.739 56.545 54.840 -0.056 0.000 0.798 241 L CB -1.591 40.435 42.059 -0.055 0.000 0.922 241 L HN -0.104 nan 8.230 nan 0.000 0.445 242 D N -1.190 119.173 120.400 -0.062 0.000 2.340 242 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 242 D C 0.615 176.889 176.300 -0.043 0.000 1.039 242 D CA 0.249 54.216 54.000 -0.054 0.000 0.866 242 D CB 0.168 40.928 40.800 -0.066 0.000 0.913 242 D HN 0.193 nan 8.370 nan 0.000 0.523 243 I N 0.701 121.247 120.570 -0.040 0.000 2.371 243 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 243 I C 1.919 178.026 176.117 -0.015 0.000 1.028 243 I CA -0.161 61.125 61.300 -0.023 0.000 1.345 243 I CB 1.210 39.199 38.000 -0.017 0.000 1.407 243 I HN -0.059 nan 8.210 nan 0.000 0.501 244 N N 5.662 124.356 118.700 -0.010 0.000 2.084 244 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 244 N C 0.742 176.248 175.510 -0.006 0.000 1.030 244 N CA 1.062 54.106 53.050 -0.009 0.000 0.849 244 N CB -0.481 38.001 38.487 -0.008 0.000 1.012 244 N HN 0.638 nan 8.380 nan 0.000 0.423 245 E N 0.490 120.690 120.200 -0.000 0.000 2.406 245 E HA 0.214 4.564 4.350 -0.000 0.000 0.258 245 E C 1.491 178.092 176.600 0.002 0.000 1.043 245 E CA 0.366 56.767 56.400 0.001 0.000 0.929 245 E CB 0.662 30.367 29.700 0.008 0.000 0.969 245 E HN 0.704 nan 8.360 nan 0.000 0.462 246 K N 2.941 123.340 120.400 -0.001 0.000 2.057 246 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 246 K C 2.033 178.636 176.600 0.005 0.000 1.049 246 K CA 2.185 58.471 56.287 -0.001 0.000 0.931 246 K CB -1.223 31.275 32.500 -0.003 0.000 0.714 246 K HN 0.660 nan 8.250 nan 0.000 0.440 247 T N -1.002 113.555 114.554 0.006 0.000 2.951 247 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 247 T C 1.948 176.662 174.700 0.023 0.000 1.073 247 T CA 1.123 63.230 62.100 0.012 0.000 1.134 247 T CB -0.095 68.776 68.868 0.007 0.000 0.884 247 T HN 0.171 nan 8.240 nan 0.000 0.479 248 L N 1.295 122.532 121.223 0.025 0.000 2.109 248 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 248 L C 2.785 179.679 176.870 0.039 0.000 1.086 248 L CA 1.683 56.550 54.840 0.044 0.000 0.760 248 L CB -1.013 41.077 42.059 0.051 0.000 0.910 248 L HN 0.395 nan 8.230 nan 0.000 0.437 249 Q N -0.869 118.942 119.800 0.018 0.000 2.061 249 Q HA -0.299 4.041 4.340 -0.000 0.000 0.204 249 Q C 2.121 178.125 176.000 0.007 0.000 0.984 249 Q CA 2.808 58.611 55.803 0.001 0.000 0.846 249 Q CB -0.132 28.600 28.738 -0.009 0.000 0.902 249 Q HN 0.673 nan 8.270 nan 0.000 0.421 250 Q N 0.032 119.842 119.800 0.015 0.000 2.167 250 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 250 Q C 2.086 178.114 176.000 0.046 0.000 0.970 250 Q CA 1.558 57.375 55.803 0.023 0.000 0.855 250 Q CB -1.273 27.478 28.738 0.022 0.000 0.911 250 Q HN 0.715 nan 8.270 nan 0.000 0.438 251 G N 0.492 109.328 108.800 0.059 0.000 2.422 251 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 251 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 251 G C 1.671 176.640 174.900 0.115 0.000 1.146 251 G CA 1.000 46.155 45.100 0.092 0.000 0.769 251 G HN 0.568 nan 8.290 nan 0.000 0.547 252 I N 0.104 120.726 120.570 0.086 0.000 2.286 252 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 252 I C 2.997 179.154 176.117 0.067 0.000 1.115 252 I CA 1.103 62.449 61.300 0.076 0.000 1.392 252 I CB -0.127 37.863 38.000 -0.017 0.000 1.065 252 I HN 0.223 nan 8.210 nan 0.000 0.418 253 Q N 0.179 120.001 119.800 0.037 0.000 2.119 253 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 253 Q C 2.349 178.384 176.000 0.058 0.000 0.972 253 Q CA 1.164 56.979 55.803 0.020 0.000 0.847 253 Q CB 0.032 28.768 28.738 -0.004 0.000 0.903 253 Q HN 0.530 nan 8.270 nan 0.000 0.433 254 L N -0.224 121.059 121.223 0.100 0.000 2.156 254 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 254 L C 2.344 179.370 176.870 0.261 0.000 1.095 254 L CA 0.750 55.686 54.840 0.160 0.000 0.770 254 L CB -0.437 41.721 42.059 0.166 0.000 0.914 254 L HN 0.193 nan 8.230 nan 0.000 0.439 255 A N -0.778 122.192 122.820 0.249 0.000 2.066 255 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 255 A C 1.978 179.792 177.584 0.382 0.000 1.157 255 A CA 1.039 53.277 52.037 0.334 0.000 0.670 255 A CB -0.202 19.022 19.000 0.374 0.000 0.804 255 A HN 0.482 nan 8.150 nan 0.000 0.453 256 Q N 0.067 120.007 119.800 0.235 0.000 2.220 256 Q HA 0.201 4.541 4.340 -0.000 0.000 0.205 256 Q C -0.251 175.775 176.000 0.044 0.000 0.865 256 Q CA -0.315 55.565 55.803 0.128 0.000 0.960 256 Q CB 0.459 29.190 28.738 -0.012 0.000 1.097 256 Q HN 0.482 nan 8.270 nan 0.000 0.493 257 S N 0.887 116.604 115.700 0.029 0.000 2.592 257 S HA 0.286 4.756 4.470 -0.000 0.000 0.271 257 S C 0.061 174.482 174.600 -0.298 0.000 1.326 257 S CA -0.354 57.712 58.200 -0.223 0.000 1.024 257 S CB 0.687 63.631 63.200 -0.427 0.000 0.921 257 S HN 0.231 nan 8.310 nan 0.000 0.527 258 R N 1.492 121.774 120.500 -0.364 0.000 2.204 258 R HA 0.248 4.588 4.340 -0.000 0.000 0.341 258 R C -0.377 175.741 176.300 -0.303 0.000 1.035 258 R CA -0.137 55.850 56.100 -0.188 0.000 0.887 258 R CB 0.312 30.484 30.300 -0.214 0.000 1.114 258 R HN 0.690 nan 8.270 nan 0.000 0.473 259 Y N 0.549 120.848 120.300 -0.002 0.000 2.436 259 Y HA 0.116 4.666 4.550 0.000 0.000 0.288 259 Y C 0.237 175.858 175.900 -0.464 0.000 1.112 259 Y CA 0.379 58.319 58.100 -0.267 0.000 1.220 259 Y CB 0.460 38.752 38.460 -0.280 0.000 1.073 259 Y HN 0.444 nan 8.280 nan 0.000 0.552 260 W N -0.257 121.216 121.300 0.288 0.000 3.031 260 W HA 0.569 5.229 4.660 0.000 0.000 0.337 260 W C -0.851 175.788 176.519 0.200 0.000 1.187 260 W CA -1.001 56.470 57.345 0.210 0.000 1.166 260 W CB 1.203 30.769 29.460 0.177 0.000 1.437 260 W HN -0.452 nan 8.180 nan 0.000 0.551 261 Q N 1.215 121.234 119.800 0.365 0.000 2.356 261 Q HA 0.658 4.998 4.340 -0.000 0.000 0.270 261 Q C -1.334 174.696 176.000 0.050 0.000 1.058 261 Q CA -0.463 55.389 55.803 0.081 0.000 0.802 261 Q CB 2.421 31.158 28.738 -0.002 0.000 1.303 261 Q HN 0.430 nan 8.270 nan 0.000 0.444 262 T N 2.745 117.268 114.554 -0.051 0.000 3.170 262 T HA 0.588 4.938 4.350 -0.000 0.000 0.315 262 T C 0.190 174.836 174.700 -0.089 0.000 0.967 262 T CA 0.742 62.819 62.100 -0.037 0.000 1.024 262 T CB 0.481 69.347 68.868 -0.003 0.000 1.018 262 T HN 1.064 nan 8.240 nan 0.000 0.449 263 G N 5.279 114.026 108.800 -0.089 0.000 2.561 263 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.289 263 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.289 263 G C 0.257 175.067 174.900 -0.150 0.000 1.169 263 G CA 0.706 45.749 45.100 -0.095 0.000 0.980 263 G HN 0.945 nan 8.290 nan 0.000 0.550 264 D N 0.277 120.593 120.400 -0.139 0.000 2.388 264 D HA 0.308 4.948 4.640 -0.000 0.000 0.221 264 D C 1.028 177.208 176.300 -0.200 0.000 1.133 264 D CA 0.321 54.222 54.000 -0.164 0.000 0.831 264 D CB 0.046 40.794 40.800 -0.088 0.000 0.962 264 D HN 0.648 nan 8.370 nan 0.000 0.502 265 M N 0.664 120.133 119.600 -0.219 0.000 2.508 265 M HA 0.448 4.928 4.480 -0.000 0.000 0.327 265 M C -1.771 174.401 176.300 -0.214 0.000 1.160 265 M CA -0.622 54.622 55.300 -0.093 0.000 0.980 265 M CB 1.966 34.598 32.600 0.055 0.000 1.693 265 M HN -0.197 nan 8.290 nan 0.000 0.452 266 Y N 1.444 121.851 120.300 0.179 0.000 2.468 266 Y HA 0.440 4.990 4.550 0.000 0.000 0.342 266 Y C -0.464 175.595 175.900 0.264 0.000 1.021 266 Y CA -0.625 57.594 58.100 0.200 0.000 1.079 266 Y CB 1.685 40.232 38.460 0.145 0.000 1.226 266 Y HN 0.586 nan 8.280 nan 0.000 0.460 267 Q N 1.511 121.599 119.800 0.480 0.000 2.347 267 Q HA 0.579 4.919 4.340 -0.000 0.000 0.262 267 Q C -0.153 176.148 176.000 0.503 0.000 0.980 267 Q CA -0.320 55.764 55.803 0.469 0.000 0.867 267 Q CB 1.281 30.310 28.738 0.485 0.000 1.242 267 Q HN 0.889 nan 8.270 nan 0.000 0.453 268 G N 2.668 111.733 108.800 0.442 0.000 2.782 268 G HA2 0.493 4.453 3.960 -0.000 0.000 0.201 268 G HA3 0.493 4.453 3.960 -0.000 0.000 0.201 268 G C -0.914 174.162 174.900 0.294 0.000 1.374 268 G CA -0.809 44.578 45.100 0.477 0.000 1.039 268 G HN 0.582 nan 8.290 nan 0.000 0.576 269 L N 1.094 122.457 121.223 0.232 0.000 2.270 269 L HA 0.470 4.810 4.340 -0.000 0.000 0.286 269 L C 1.320 178.228 176.870 0.064 0.000 1.059 269 L CA 0.417 55.262 54.840 0.008 0.000 0.839 269 L CB 0.516 42.559 42.059 -0.027 0.000 1.221 269 L HN 1.040 nan 8.230 nan 0.000 0.431 270 G N 2.020 110.833 108.800 0.020 0.000 3.909 270 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 270 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 270 G C -0.012 174.946 174.900 0.097 0.000 1.404 270 G CA -0.271 44.840 45.100 0.018 0.000 0.905 270 G HN 0.504 nan 8.290 nan 0.000 0.589 271 W N 2.353 123.777 121.300 0.207 0.000 2.158 271 W HA 0.572 5.232 4.660 -0.000 0.000 0.339 271 W C 0.812 177.468 176.519 0.229 0.000 1.294 271 W CA -0.148 57.312 57.345 0.192 0.000 1.231 271 W CB 0.414 29.956 29.460 0.136 0.000 1.143 271 W HN 0.320 nan 8.180 nan 0.000 0.571 272 E N 1.760 122.298 120.200 0.563 0.000 2.238 272 E HA 0.570 4.920 4.350 -0.000 0.000 0.267 272 E C -0.826 176.058 176.600 0.473 0.000 0.887 272 E CA -1.076 55.616 56.400 0.486 0.000 0.769 272 E CB 1.890 31.862 29.700 0.454 0.000 1.187 272 E HN 0.233 nan 8.360 nan 0.000 0.416 273 M N 1.946 121.786 119.600 0.400 0.000 2.593 273 M HA 0.523 5.003 4.480 -0.000 0.000 0.290 273 M C -1.529 175.004 176.300 0.387 0.000 1.244 273 M CA -0.435 55.053 55.300 0.313 0.000 0.857 273 M CB 1.902 34.618 32.600 0.194 0.000 1.738 273 M HN 0.294 nan 8.290 nan 0.000 0.461 274 L N 0.300 121.725 121.223 0.337 0.000 2.434 274 L HA 0.519 4.859 4.340 -0.000 0.000 0.260 274 L C -0.986 176.074 176.870 0.316 0.000 0.983 274 L CA -0.745 54.295 54.840 0.332 0.000 0.820 274 L CB 2.140 44.308 42.059 0.182 0.000 1.361 274 L HN 0.552 nan 8.230 nan 0.000 0.410 275 D N 0.747 121.326 120.400 0.298 0.000 2.399 275 D HA 0.026 4.666 4.640 -0.000 0.000 0.241 275 D C -1.001 175.463 176.300 0.273 0.000 1.133 275 D CA 0.168 54.307 54.000 0.232 0.000 0.890 275 D CB 1.282 42.189 40.800 0.178 0.000 1.201 275 D HN 0.339 nan 8.370 nan 0.000 0.432 276 W N 3.517 124.879 121.300 0.103 0.000 2.551 276 W HA 0.298 4.958 4.660 -0.000 0.000 0.330 276 W C -2.241 174.333 176.519 0.091 0.000 1.063 276 W CA -1.754 55.668 57.345 0.128 0.000 1.222 276 W CB 1.238 30.791 29.460 0.156 0.000 1.349 276 W HN 0.238 nan 8.180 nan 0.000 0.536 277 P HA 0.142 nan 4.420 nan 0.000 0.272 277 P C -0.963 175.993 177.300 -0.573 0.000 1.223 277 P CA -0.150 62.140 63.100 -1.350 0.000 0.784 277 P CB 2.118 33.232 31.700 -0.977 0.000 0.923 278 V N 1.692 121.281 119.914 -0.543 0.000 2.850 278 V HA 0.322 4.442 4.120 -0.000 0.000 0.315 278 V C -0.034 175.783 176.094 -0.462 0.000 1.064 278 V CA -0.910 61.196 62.300 -0.323 0.000 0.979 278 V CB 1.663 33.339 31.823 -0.246 0.000 1.039 278 V HN 0.710 nan 8.190 nan 0.000 0.452 279 N N 5.001 123.460 118.700 -0.402 0.000 2.408 279 N HA 0.386 5.126 4.740 -0.000 0.000 0.257 279 N C -1.891 173.260 175.510 -0.598 0.000 1.064 279 N CA -1.929 50.864 53.050 -0.428 0.000 0.952 279 N CB 1.594 39.914 38.487 -0.278 0.000 1.093 279 N HN 0.293 nan 8.380 nan 0.000 0.490 280 P HA -0.134 nan 4.420 nan 0.000 0.216 280 P C 0.473 177.426 177.300 -0.578 0.000 1.153 280 P CA 1.209 63.672 63.100 -1.061 0.000 0.858 280 P CB 0.336 31.209 31.700 -1.378 0.000 0.789 281 D N -0.999 119.157 120.400 -0.407 0.000 2.144 281 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 281 D C 2.100 178.265 176.300 -0.226 0.000 0.984 281 D CA 1.117 54.960 54.000 -0.260 0.000 0.834 281 D CB -0.508 40.174 40.800 -0.196 0.000 0.955 281 D HN 0.108 nan 8.370 nan 0.000 0.465 282 S N 0.652 116.203 115.700 -0.247 0.000 2.351 282 S HA -0.142 4.328 4.470 -0.000 0.000 0.220 282 S C 2.243 176.741 174.600 -0.169 0.000 1.035 282 S CA 1.200 59.285 58.200 -0.191 0.000 1.031 282 S CB -0.219 62.864 63.200 -0.195 0.000 0.928 282 S HN 0.372 nan 8.310 nan 0.000 0.433 283 I N -0.773 119.654 120.570 -0.238 0.000 2.439 283 I HA -0.044 4.126 4.170 -0.000 0.000 0.251 283 I C 1.985 178.048 176.117 -0.090 0.000 1.139 283 I CA 1.274 62.483 61.300 -0.151 0.000 1.438 283 I CB -0.546 37.270 38.000 -0.307 0.000 1.085 283 I HN 0.232 nan 8.210 nan 0.000 0.427 284 I N 2.156 122.627 120.570 -0.165 0.000 2.202 284 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 284 I C 2.153 178.218 176.117 -0.088 0.000 1.091 284 I CA 2.063 63.293 61.300 -0.117 0.000 1.368 284 I CB -0.644 37.269 38.000 -0.145 0.000 1.058 284 I HN 0.323 nan 8.210 nan 0.000 0.410 285 N N 0.538 119.180 118.700 -0.098 0.000 2.250 285 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 285 N C 1.967 177.440 175.510 -0.061 0.000 1.017 285 N CA 0.937 53.941 53.050 -0.076 0.000 0.866 285 N CB -0.254 38.185 38.487 -0.080 0.000 0.985 285 N HN 0.344 nan 8.380 nan 0.000 0.429 286 G N 0.599 109.366 108.800 -0.056 0.000 2.448 286 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 286 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 286 G C 1.564 176.448 174.900 -0.027 0.000 1.127 286 G CA 1.086 46.165 45.100 -0.034 0.000 0.766 286 G HN 0.427 nan 8.290 nan 0.000 0.552 287 S N -0.319 115.367 115.700 -0.022 0.000 2.522 287 S HA -0.019 4.451 4.470 -0.000 0.000 0.227 287 S C 0.828 175.384 174.600 -0.074 0.000 0.986 287 S CA 0.237 58.413 58.200 -0.040 0.000 0.929 287 S CB -0.141 63.038 63.200 -0.034 0.000 0.769 287 S HN 0.370 nan 8.310 nan 0.000 0.529 288 D N 1.499 121.860 120.400 -0.064 0.000 2.424 288 D HA 0.078 4.718 4.640 -0.000 0.000 0.244 288 D C 0.454 176.715 176.300 -0.065 0.000 1.134 288 D CA 0.103 54.066 54.000 -0.061 0.000 0.881 288 D CB 0.411 41.181 40.800 -0.049 0.000 1.191 288 D HN 0.378 nan 8.370 nan 0.000 0.445 289 N N 2.353 121.016 118.700 -0.062 0.000 2.430 289 N HA -0.203 4.537 4.740 -0.000 0.000 0.186 289 N C 1.860 177.345 175.510 -0.040 0.000 1.032 289 N CA 1.135 54.149 53.050 -0.060 0.000 0.893 289 N CB 0.063 38.523 38.487 -0.044 0.000 0.957 289 N HN 0.498 nan 8.380 nan 0.000 0.442 290 K N 1.044 121.425 120.400 -0.032 0.000 2.147 290 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 290 K C 1.617 178.202 176.600 -0.025 0.000 1.049 290 K CA 1.067 57.342 56.287 -0.021 0.000 0.936 290 K CB -0.618 31.870 32.500 -0.019 0.000 0.722 290 K HN 0.240 nan 8.250 nan 0.000 0.446 291 I N -0.674 119.873 120.570 -0.038 0.000 2.729 291 I HA 0.070 4.240 4.170 -0.000 0.000 0.256 291 I C 2.946 179.030 176.117 -0.055 0.000 1.115 291 I CA 0.684 61.959 61.300 -0.041 0.000 1.446 291 I CB 0.016 37.990 38.000 -0.044 0.000 1.176 291 I HN 0.282 nan 8.210 nan 0.000 0.446 292 A N 1.199 123.971 122.820 -0.080 0.000 1.986 292 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 292 A C 2.115 179.609 177.584 -0.149 0.000 1.171 292 A CA 1.575 53.530 52.037 -0.137 0.000 0.640 292 A CB -0.730 18.157 19.000 -0.189 0.000 0.811 292 A HN 0.449 nan 8.150 nan 0.000 0.451 293 L N -1.247 119.928 121.223 -0.080 0.000 2.607 293 L HA 0.279 4.619 4.340 -0.000 0.000 0.228 293 L C 1.148 178.033 176.870 0.026 0.000 1.123 293 L CA -0.084 54.750 54.840 -0.010 0.000 0.890 293 L CB -0.307 41.763 42.059 0.018 0.000 1.103 293 L HN 0.370 nan 8.230 nan 0.000 0.468 294 A N 0.713 123.535 122.820 0.002 0.000 2.304 294 A HA 0.682 5.002 4.320 -0.000 0.000 0.271 294 A C 0.398 177.979 177.584 -0.005 0.000 1.091 294 A CA -0.173 51.872 52.037 0.014 0.000 0.812 294 A CB 0.504 19.502 19.000 -0.003 0.000 1.056 294 A HN 0.189 nan 8.150 nan 0.000 0.489 295 A N 1.369 124.184 122.820 -0.008 0.000 2.388 295 A HA 0.604 4.924 4.320 -0.000 0.000 0.257 295 A C 0.403 177.880 177.584 -0.177 0.000 1.095 295 A CA -0.116 51.842 52.037 -0.131 0.000 0.791 295 A CB 0.147 18.996 19.000 -0.252 0.000 1.029 295 A HN 0.809 nan 8.150 nan 0.000 0.489 296 R N 2.092 122.463 120.500 -0.216 0.000 2.651 296 R HA 0.469 4.809 4.340 -0.000 0.000 0.278 296 R C -2.994 173.176 176.300 -0.217 0.000 1.010 296 R CA -1.872 54.123 56.100 -0.175 0.000 0.896 296 R CB 2.296 32.536 30.300 -0.099 0.000 1.211 296 R HN 0.519 nan 8.270 nan 0.000 0.456 297 P HA 0.056 nan 4.420 nan 0.000 0.271 297 P C -0.534 176.705 177.300 -0.102 0.000 1.218 297 P CA -0.271 62.725 63.100 -0.173 0.000 0.780 297 P CB 0.949 32.575 31.700 -0.123 0.000 0.901 298 V N -0.610 119.255 119.914 -0.082 0.000 2.769 298 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 298 V C -0.299 175.902 176.094 0.178 0.000 1.061 298 V CA -1.124 61.197 62.300 0.036 0.000 0.931 298 V CB 2.133 33.928 31.823 -0.047 0.000 1.010 298 V HN 0.520 nan 8.190 nan 0.000 0.433 299 K N 2.872 123.429 120.400 0.262 0.000 2.235 299 K HA 0.795 5.115 4.320 -0.000 0.000 0.266 299 K C -0.129 176.702 176.600 0.385 0.000 0.980 299 K CA -0.330 56.113 56.287 0.260 0.000 0.849 299 K CB 1.765 34.352 32.500 0.145 0.000 1.098 299 K HN 1.209 nan 8.250 nan 0.000 0.445 300 A N 5.414 128.432 122.820 0.331 0.000 2.440 300 A HA 0.313 4.633 4.320 -0.000 0.000 0.251 300 A C -0.078 177.475 177.584 -0.052 0.000 1.089 300 A CA -0.441 51.599 52.037 0.005 0.000 0.779 300 A CB -0.062 18.892 19.000 -0.077 0.000 1.022 300 A HN 0.805 nan 8.150 nan 0.000 0.492 301 I N 2.803 123.276 120.570 -0.162 0.000 2.306 301 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 301 I C 0.494 176.523 176.117 -0.147 0.000 1.036 301 I CA 0.034 61.280 61.300 -0.090 0.000 1.221 301 I CB 1.372 39.337 38.000 -0.058 0.000 1.385 301 I HN 0.674 nan 8.210 nan 0.000 0.472 302 T N 6.467 120.966 114.554 -0.092 0.000 2.833 302 T HA 0.599 4.949 4.350 -0.000 0.000 0.297 302 T C -1.819 172.847 174.700 -0.058 0.000 1.015 302 T CA -1.200 60.849 62.100 -0.085 0.000 0.963 302 T CB 1.237 70.067 68.868 -0.063 0.000 0.955 302 T HN 0.420 nan 8.240 nan 0.000 0.449 303 P HA 0.557 nan 4.420 nan 0.000 0.279 303 P C -2.958 174.260 177.300 -0.136 0.000 1.276 303 P CA -1.869 61.177 63.100 -0.089 0.000 0.801 303 P CB -0.352 31.307 31.700 -0.067 0.000 1.127 304 P HA 0.068 nan 4.420 nan 0.000 0.266 304 P C -0.337 176.804 177.300 -0.265 0.000 1.195 304 P CA 0.381 63.289 63.100 -0.321 0.000 0.768 304 P CB -0.034 31.331 31.700 -0.558 0.000 0.838 305 T N 5.054 119.447 114.554 -0.269 0.000 2.794 305 T HA 0.299 4.649 4.350 -0.000 0.000 0.296 305 T C -2.111 172.451 174.700 -0.229 0.000 0.949 305 T CA -1.134 60.838 62.100 -0.214 0.000 1.101 305 T CB 0.029 68.768 68.868 -0.216 0.000 0.905 305 T HN 0.281 nan 8.240 nan 0.000 0.516 306 P HA 0.215 nan 4.420 nan 0.000 0.271 306 P C -0.509 176.711 177.300 -0.133 0.000 1.233 306 P CA -0.574 62.442 63.100 -0.139 0.000 0.789 306 P CB 0.273 31.915 31.700 -0.096 0.000 0.951 307 A N 1.446 124.204 122.820 -0.103 0.000 2.591 307 A HA 0.068 4.388 4.320 -0.000 0.000 0.244 307 A C 0.104 177.630 177.584 -0.097 0.000 1.031 307 A CA 0.330 52.311 52.037 -0.093 0.000 0.767 307 A CB -0.810 18.148 19.000 -0.070 0.000 0.942 307 A HN 0.357 nan 8.150 nan 0.000 0.514 308 V N 4.513 124.362 119.914 -0.107 0.000 2.350 308 V HA 0.423 4.543 4.120 -0.000 0.000 0.276 308 V C 1.870 177.923 176.094 -0.068 0.000 1.028 308 V CA 0.331 62.576 62.300 -0.092 0.000 0.860 308 V CB 0.516 32.269 31.823 -0.117 0.000 0.990 308 V HN 1.204 nan 8.190 nan 0.000 0.453 309 R N 4.358 124.825 120.500 -0.055 0.000 2.103 309 R HA -0.027 4.313 4.340 -0.000 0.000 0.242 309 R C 1.483 177.763 176.300 -0.033 0.000 1.142 309 R CA 1.670 57.739 56.100 -0.051 0.000 0.960 309 R CB -0.936 29.336 30.300 -0.047 0.000 0.858 309 R HN 1.038 nan 8.270 nan 0.000 0.439 310 A N 1.311 124.138 122.820 0.012 0.000 3.077 310 A HA 0.514 4.834 4.320 -0.000 0.000 0.255 310 A C -0.279 177.394 177.584 0.149 0.000 1.728 310 A CA 0.081 52.175 52.037 0.096 0.000 1.383 310 A CB -0.359 18.723 19.000 0.136 0.000 1.097 310 A HN 0.462 nan 8.150 nan 0.000 0.634 311 S N 0.077 115.820 115.700 0.073 0.000 2.599 311 S HA 0.564 5.034 4.470 -0.000 0.000 0.287 311 S C -0.950 173.696 174.600 0.076 0.000 1.105 311 S CA -0.599 57.666 58.200 0.108 0.000 0.899 311 S CB 1.254 64.447 63.200 -0.011 0.000 1.100 311 S HN 0.666 nan 8.310 nan 0.000 0.482 312 W N 3.533 124.836 121.300 0.005 0.000 2.283 312 W HA 0.555 5.214 4.660 -0.000 0.000 0.317 312 W C -1.877 174.490 176.519 -0.253 0.000 1.042 312 W CA -0.607 56.688 57.345 -0.082 0.000 1.348 312 W CB 0.429 29.967 29.460 0.131 0.000 1.216 312 W HN 0.333 nan 8.180 nan 0.000 0.404 313 V N 7.655 127.088 119.914 -0.801 0.000 2.427 313 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 313 V C 0.107 175.752 176.094 -0.749 0.000 1.034 313 V CA -0.227 61.587 62.300 -0.809 0.000 0.893 313 V CB 1.049 31.973 31.823 -1.498 0.000 0.982 313 V HN 0.674 nan 8.190 nan 0.000 0.452 314 H N 2.573 121.528 119.070 -0.192 0.000 2.918 314 H HA 0.918 5.474 4.556 -0.000 0.000 0.303 314 H C -1.272 174.287 175.328 0.385 0.000 1.380 314 H CA -1.328 54.739 56.048 0.033 0.000 1.134 314 H CB 2.165 31.998 29.762 0.118 0.000 1.842 314 H HN 0.424 nan 8.280 nan 0.000 0.533 315 K N 1.058 121.566 120.400 0.181 0.000 2.580 315 K HA 0.238 4.558 4.320 -0.000 0.000 0.258 315 K C -1.492 175.226 176.600 0.197 0.000 0.936 315 K CA 0.009 56.370 56.287 0.122 0.000 0.852 315 K CB 1.912 34.505 32.500 0.154 0.000 1.329 315 K HN 0.939 nan 8.250 nan 0.000 0.430 316 T N 0.042 114.707 114.554 0.185 0.000 2.928 316 T HA 0.870 5.220 4.350 -0.000 0.000 0.284 316 T C 0.351 175.162 174.700 0.185 0.000 1.008 316 T CA -0.509 61.746 62.100 0.257 0.000 1.057 316 T CB 1.684 70.610 68.868 0.096 0.000 1.018 316 T HN 0.621 nan 8.240 nan 0.000 0.493 317 G N -0.588 108.327 108.800 0.192 0.000 2.706 317 G HA2 0.767 4.727 3.960 -0.000 0.000 0.297 317 G HA3 0.767 4.727 3.960 -0.000 0.000 0.297 317 G C -1.517 173.484 174.900 0.168 0.000 1.403 317 G CA -0.661 44.553 45.100 0.190 0.000 0.954 317 G HN 1.171 nan 8.290 nan 0.000 0.500 318 A N 0.451 123.371 122.820 0.166 0.000 2.594 318 A HA 0.952 5.272 4.320 -0.000 0.000 0.296 318 A C -0.132 177.546 177.584 0.156 0.000 1.061 318 A CA 0.112 52.247 52.037 0.164 0.000 0.689 318 A CB 1.510 20.569 19.000 0.098 0.000 1.280 318 A HN 1.895 nan 8.150 nan 0.000 0.406 319 T N -1.835 112.846 114.554 0.211 0.000 2.742 319 T HA 0.657 5.007 4.350 -0.000 0.000 0.282 319 T C 1.339 176.153 174.700 0.191 0.000 1.025 319 T CA 0.161 62.371 62.100 0.184 0.000 1.020 319 T CB 0.991 70.025 68.868 0.277 0.000 1.317 319 T HN 1.682 nan 8.240 nan 0.000 0.538 320 G N -0.165 108.735 108.800 0.166 0.000 2.469 320 G HA2 0.146 4.106 3.960 -0.000 0.000 0.219 320 G HA3 0.146 4.106 3.960 -0.000 0.000 0.219 320 G C 1.103 176.092 174.900 0.148 0.000 1.150 320 G CA 0.687 45.867 45.100 0.134 0.000 0.763 320 G HN 1.249 nan 8.290 nan 0.000 0.561 321 G N -1.365 107.559 108.800 0.206 0.000 3.735 321 G HA2 0.499 4.459 3.960 -0.000 0.000 0.283 321 G HA3 0.499 4.459 3.960 -0.000 0.000 0.283 321 G C -0.560 174.303 174.900 -0.062 0.000 1.007 321 G CA -0.505 44.628 45.100 0.055 0.000 0.821 321 G HN 0.184 nan 8.290 nan 0.000 0.505 322 F N -0.281 119.810 119.950 0.234 0.000 2.588 322 F HA 0.678 5.205 4.527 -0.000 0.000 0.310 322 F C 0.303 176.247 175.800 0.241 0.000 1.082 322 F CA -0.984 57.191 58.000 0.291 0.000 0.929 322 F CB 2.680 41.877 39.000 0.328 0.000 1.254 322 F HN 0.028 nan 8.300 nan 0.000 0.455 323 G N 0.988 110.069 108.800 0.467 0.000 2.683 323 G HA2 0.560 4.520 3.960 -0.000 0.000 0.299 323 G HA3 0.560 4.520 3.960 -0.000 0.000 0.299 323 G C -1.447 173.627 174.900 0.290 0.000 1.432 323 G CA -0.688 44.574 45.100 0.270 0.000 0.978 323 G HN 0.729 nan 8.290 nan 0.000 0.513 324 S N 0.980 116.823 115.700 0.239 0.000 2.634 324 S HA 0.868 5.338 4.470 -0.000 0.000 0.296 324 S C -1.437 173.358 174.600 0.325 0.000 1.104 324 S CA -0.990 57.368 58.200 0.264 0.000 0.920 324 S CB 2.473 65.822 63.200 0.248 0.000 1.111 324 S HN 1.076 nan 8.310 nan 0.000 0.493 325 Y N -0.140 120.264 120.300 0.174 0.000 2.521 325 Y HA 0.612 5.162 4.550 -0.000 0.000 0.332 325 Y C -2.021 174.026 175.900 0.245 0.000 1.121 325 Y CA -0.907 57.309 58.100 0.194 0.000 1.037 325 Y CB 1.562 40.132 38.460 0.183 0.000 1.330 325 Y HN 0.779 nan 8.280 nan 0.000 0.452 326 V N 4.090 123.803 119.914 -0.335 0.000 2.686 326 V HA 0.980 5.100 4.120 -0.000 0.000 0.306 326 V C -0.926 174.907 176.094 -0.436 0.000 1.065 326 V CA -0.292 61.910 62.300 -0.164 0.000 0.894 326 V CB 1.499 33.486 31.823 0.274 0.000 1.004 326 V HN 1.042 nan 8.190 nan 0.000 0.424 327 A N 4.643 127.249 122.820 -0.356 0.000 2.547 327 A HA 1.016 5.336 4.320 -0.000 0.000 0.297 327 A C -1.329 175.970 177.584 -0.476 0.000 1.056 327 A CA -0.507 51.187 52.037 -0.572 0.000 0.688 327 A CB 1.734 20.346 19.000 -0.647 0.000 1.282 327 A HN 1.535 nan 8.150 nan 0.000 0.400 328 F N -0.536 118.961 119.950 -0.755 0.000 2.668 328 F HA 0.839 5.366 4.527 -0.000 0.000 0.309 328 F C -1.444 173.964 175.800 -0.655 0.000 1.117 328 F CA -1.288 56.336 58.000 -0.627 0.000 0.951 328 F CB 1.234 39.942 39.000 -0.485 0.000 1.323 328 F HN 0.315 nan 8.300 nan 0.000 0.451 329 I N 2.574 122.960 120.570 -0.308 0.000 2.420 329 I HA 0.342 4.512 4.170 -0.000 0.000 0.282 329 I C -2.074 173.932 176.117 -0.185 0.000 1.019 329 I CA -1.921 59.156 61.300 -0.372 0.000 1.130 329 I CB 1.873 39.487 38.000 -0.644 0.000 1.262 329 I HN 0.378 nan 8.210 nan 0.000 0.454 330 P HA -0.231 nan 4.420 nan 0.000 0.214 330 P C 1.411 178.636 177.300 -0.125 0.000 1.163 330 P CA 1.297 64.349 63.100 -0.081 0.000 0.889 330 P CB 0.303 31.968 31.700 -0.057 0.000 0.790 331 E N -0.343 119.782 120.200 -0.125 0.000 2.209 331 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 331 E C 1.141 177.666 176.600 -0.125 0.000 0.993 331 E CA 1.057 57.395 56.400 -0.103 0.000 0.819 331 E CB -0.079 29.584 29.700 -0.062 0.000 0.745 331 E HN 0.077 nan 8.360 nan 0.000 0.477 332 K N 0.123 120.413 120.400 -0.184 0.000 2.358 332 K HA 0.057 4.376 4.320 -0.000 0.000 0.197 332 K C -0.203 176.285 176.600 -0.187 0.000 1.025 332 K CA 0.201 56.378 56.287 -0.183 0.000 1.104 332 K CB 0.614 32.971 32.500 -0.238 0.000 0.855 332 K HN 0.152 nan 8.250 nan 0.000 0.531 333 E N 0.821 120.913 120.200 -0.179 0.000 2.440 333 E HA -0.232 4.118 4.350 -0.000 0.000 0.246 333 E C -0.680 175.813 176.600 -0.178 0.000 1.165 333 E CA 0.308 56.600 56.400 -0.181 0.000 0.726 333 E CB -1.519 28.073 29.700 -0.180 0.000 1.271 333 E HN 0.042 nan 8.360 nan 0.000 0.397 334 L N -0.012 121.110 121.223 -0.170 0.000 2.365 334 L HA 0.771 5.111 4.340 -0.000 0.000 0.273 334 L C 0.232 177.032 176.870 -0.117 0.000 1.000 334 L CA 0.188 54.954 54.840 -0.123 0.000 0.819 334 L CB 1.998 43.974 42.059 -0.138 0.000 1.284 334 L HN 0.095 nan 8.230 nan 0.000 0.418 335 G N 4.254 113.018 108.800 -0.060 0.000 2.677 335 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 335 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 335 G C -2.181 172.724 174.900 0.008 0.000 1.435 335 G CA -0.445 44.626 45.100 -0.048 0.000 0.826 335 G HN 0.732 nan 8.290 nan 0.000 0.491 336 I N 0.017 120.598 120.570 0.018 0.000 2.827 336 I HA 0.675 4.845 4.170 -0.000 0.000 0.298 336 I C -1.385 174.797 176.117 0.110 0.000 1.235 336 I CA -1.028 60.326 61.300 0.090 0.000 1.021 336 I CB 2.324 40.400 38.000 0.127 0.000 1.259 336 I HN 0.361 nan 8.210 nan 0.000 0.427 337 V N 7.375 127.391 119.914 0.170 0.000 2.531 337 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 337 V C -0.508 175.724 176.094 0.229 0.000 1.034 337 V CA -0.410 62.007 62.300 0.194 0.000 0.865 337 V CB 1.827 33.777 31.823 0.212 0.000 0.995 337 V HN 0.652 nan 8.190 nan 0.000 0.424 338 M N 6.282 126.029 119.600 0.245 0.000 2.142 338 M HA 0.609 5.089 4.480 -0.000 0.000 0.299 338 M C -1.322 175.087 176.300 0.181 0.000 0.960 338 M CA -0.141 55.307 55.300 0.247 0.000 0.920 338 M CB 1.834 34.631 32.600 0.328 0.000 1.541 338 M HN 0.393 nan 8.290 nan 0.000 0.429 339 L N 2.998 124.233 121.223 0.020 0.000 2.349 339 L HA 0.962 5.302 4.340 -0.000 0.000 0.278 339 L C -0.455 176.268 176.870 -0.245 0.000 0.996 339 L CA -0.713 53.985 54.840 -0.237 0.000 0.825 339 L CB 1.692 43.270 42.059 -0.801 0.000 1.243 339 L HN 0.774 nan 8.230 nan 0.000 0.412 340 A N 2.095 125.017 122.820 0.170 0.000 2.435 340 A HA 0.617 4.937 4.320 -0.000 0.000 0.304 340 A C -0.403 177.566 177.584 0.642 0.000 1.064 340 A CA -0.763 51.513 52.037 0.398 0.000 0.727 340 A CB 1.268 20.491 19.000 0.371 0.000 1.284 340 A HN 0.751 nan 8.150 nan 0.000 0.415 341 N N 1.593 120.625 118.700 0.554 0.000 2.758 341 N HA 0.177 4.917 4.740 -0.000 0.000 0.293 341 N C -0.532 174.977 175.510 -0.002 0.000 1.273 341 N CA -0.105 52.971 53.050 0.044 0.000 1.022 341 N CB 0.384 38.877 38.487 0.011 0.000 1.334 341 N HN 0.548 nan 8.380 nan 0.000 0.519 342 K N 0.616 121.110 120.400 0.157 0.000 2.561 342 K HA 0.148 4.468 4.320 -0.000 0.000 0.254 342 K C -1.784 175.005 176.600 0.315 0.000 0.942 342 K CA -0.573 55.827 56.287 0.189 0.000 0.818 342 K CB 1.394 33.995 32.500 0.168 0.000 1.306 342 K HN 0.086 nan 8.250 nan 0.000 0.435 343 N N 4.115 122.958 118.700 0.239 0.000 2.439 343 N HA 0.122 4.862 4.740 -0.000 0.000 0.243 343 N C -1.248 174.393 175.510 0.218 0.000 1.088 343 N CA 0.005 53.182 53.050 0.212 0.000 0.940 343 N CB -0.079 38.496 38.487 0.147 0.000 1.180 343 N HN 0.408 nan 8.380 nan 0.000 0.505 344 Y N 1.676 122.019 120.300 0.071 0.000 2.567 344 Y HA 0.758 5.308 4.550 -0.000 0.000 0.333 344 Y C -2.532 173.385 175.900 0.029 0.000 1.106 344 Y CA -3.467 54.658 58.100 0.041 0.000 1.157 344 Y CB -0.617 37.861 38.460 0.029 0.000 1.277 344 Y HN 0.303 nan 8.280 nan 0.000 0.490 345 P HA -0.052 nan 4.420 nan 0.000 0.261 345 P C 0.192 177.377 177.300 -0.191 0.000 1.165 345 P CA 0.540 63.603 63.100 -0.062 0.000 0.759 345 P CB 0.686 32.399 31.700 0.021 0.000 0.772 346 N N 4.868 123.458 118.700 -0.182 0.000 2.069 346 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 346 N C -0.838 174.562 175.510 -0.183 0.000 1.031 346 N CA 1.819 54.740 53.050 -0.215 0.000 0.852 346 N CB -1.823 36.571 38.487 -0.155 0.000 1.018 346 N HN 0.433 nan 8.380 nan 0.000 0.423 347 P HA -0.100 nan 4.420 nan 0.000 0.217 347 P C 1.002 178.275 177.300 -0.045 0.000 1.148 347 P CA 1.577 64.631 63.100 -0.075 0.000 0.828 347 P CB -0.076 31.594 31.700 -0.050 0.000 0.783 348 A N -0.338 122.477 122.820 -0.009 0.000 1.930 348 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 348 A C 2.236 179.878 177.584 0.097 0.000 1.175 348 A CA 1.375 53.460 52.037 0.080 0.000 0.627 348 A CB -0.910 18.211 19.000 0.203 0.000 0.815 348 A HN 0.089 nan 8.150 nan 0.000 0.443 349 R N -0.692 119.799 120.500 -0.015 0.000 2.062 349 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 349 R C 2.026 178.233 176.300 -0.155 0.000 1.136 349 R CA 1.509 57.569 56.100 -0.068 0.000 0.948 349 R CB -0.647 29.454 30.300 -0.332 0.000 0.845 349 R HN 0.359 nan 8.270 nan 0.000 0.430 350 V N 1.648 121.374 119.914 -0.314 0.000 2.407 350 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 350 V C 2.083 178.266 176.094 0.149 0.000 1.055 350 V CA 1.849 64.072 62.300 -0.128 0.000 1.049 350 V CB -0.523 31.245 31.823 -0.092 0.000 0.662 350 V HN 0.349 nan 8.190 nan 0.000 0.455 351 D N 0.470 120.924 120.400 0.089 0.000 2.092 351 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 351 D C 2.209 178.651 176.300 0.237 0.000 0.994 351 D CA 1.875 55.966 54.000 0.151 0.000 0.828 351 D CB 0.044 40.893 40.800 0.081 0.000 0.963 351 D HN 0.385 nan 8.370 nan 0.000 0.450 352 A N 0.933 123.862 122.820 0.182 0.000 1.902 352 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 352 A C 2.424 180.151 177.584 0.239 0.000 1.181 352 A CA 2.548 54.688 52.037 0.171 0.000 0.623 352 A CB -0.886 18.191 19.000 0.127 0.000 0.818 352 A HN 0.325 nan 8.150 nan 0.000 0.443 353 A N -1.062 121.966 122.820 0.348 0.000 1.902 353 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 353 A C 2.117 180.018 177.584 0.527 0.000 1.181 353 A CA 1.471 53.795 52.037 0.477 0.000 0.623 353 A CB -0.923 18.550 19.000 0.787 0.000 0.818 353 A HN 0.920 nan 8.150 nan 0.000 0.443 354 W N 0.653 122.176 121.300 0.373 0.000 2.388 354 W HA -0.164 4.496 4.660 -0.000 0.000 0.294 354 W C 1.803 178.455 176.519 0.221 0.000 1.212 354 W CA 1.816 59.341 57.345 0.301 0.000 1.271 354 W CB -0.333 29.171 29.460 0.073 0.000 1.126 354 W HN 0.415 nan 8.180 nan 0.000 0.535 355 Q N 0.836 120.679 119.800 0.071 0.000 2.061 355 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 355 Q C 2.319 178.254 176.000 -0.108 0.000 0.984 355 Q CA 2.287 58.053 55.803 -0.061 0.000 0.846 355 Q CB -0.773 28.007 28.738 0.071 0.000 0.902 355 Q HN 0.469 nan 8.270 nan 0.000 0.421 356 I N 0.134 120.702 120.570 -0.004 0.000 2.163 356 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 356 I C 2.111 178.217 176.117 -0.018 0.000 1.081 356 I CA 0.671 61.968 61.300 -0.004 0.000 1.353 356 I CB -0.258 37.769 38.000 0.045 0.000 1.054 356 I HN 0.132 nan 8.210 nan 0.000 0.407 357 L N 0.699 121.939 121.223 0.028 0.000 2.056 357 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 357 L C 2.204 179.038 176.870 -0.060 0.000 1.078 357 L CA 1.709 56.568 54.840 0.032 0.000 0.749 357 L CB -1.378 40.772 42.059 0.151 0.000 0.901 357 L HN 0.272 nan 8.230 nan 0.000 0.433 358 N N -0.305 118.216 118.700 -0.297 0.000 2.223 358 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 358 N C 1.735 177.133 175.510 -0.186 0.000 1.016 358 N CA 1.265 54.060 53.050 -0.426 0.000 0.863 358 N CB 0.004 37.776 38.487 -1.192 0.000 0.983 358 N HN 0.316 nan 8.380 nan 0.000 0.429 359 A N -0.227 122.499 122.820 -0.157 0.000 2.066 359 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 359 A C 1.926 179.496 177.584 -0.023 0.000 1.157 359 A CA 0.687 52.679 52.037 -0.075 0.000 0.670 359 A CB -0.351 18.605 19.000 -0.072 0.000 0.804 359 A HN 0.356 nan 8.150 nan 0.000 0.453 360 L N -1.677 119.548 121.223 0.005 0.000 2.567 360 L HA 0.356 4.695 4.340 -0.000 0.000 0.225 360 L C 1.097 178.054 176.870 0.145 0.000 1.119 360 L CA 0.551 55.442 54.840 0.085 0.000 0.871 360 L CB -0.424 41.712 42.059 0.127 0.000 1.036 360 L HN 0.691 nan 8.230 nan 0.000 0.459 361 Q N 0.000 119.855 119.800 0.092 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.871 55.803 0.113 0.000 1.022 361 Q CB 0.000 28.793 28.738 0.092 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481