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 1fco_1_B DATA FIRST_RESID 1 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.441 177.584 -0.239 0.000 1.274 1 A CA 0.000 51.926 52.037 -0.184 0.000 0.836 1 A CB 0.000 18.856 19.000 -0.240 0.000 0.831 2 P HA 0.050 nan 4.420 nan 0.000 0.267 2 P C 0.719 177.899 177.300 -0.200 0.000 1.201 2 P CA -0.064 62.871 63.100 -0.276 0.000 0.775 2 P CB 0.578 32.035 31.700 -0.406 0.000 0.854 3 Q N 1.986 121.710 119.800 -0.126 0.000 2.226 3 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 3 Q C 1.649 177.597 176.000 -0.086 0.000 0.975 3 Q CA 1.759 57.516 55.803 -0.076 0.000 0.866 3 Q CB -0.058 28.650 28.738 -0.050 0.000 0.915 3 Q HN 0.535 nan 8.270 nan 0.000 0.440 4 Q N -0.224 119.490 119.800 -0.143 0.000 2.079 4 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 4 Q C 2.274 178.181 176.000 -0.155 0.000 0.974 4 Q CA 1.175 56.891 55.803 -0.144 0.000 0.840 4 Q CB 0.021 28.645 28.738 -0.190 0.000 0.898 4 Q HN 0.463 nan 8.270 nan 0.000 0.430 5 I N 0.666 121.099 120.570 -0.228 0.000 2.113 5 I HA -0.319 3.851 4.170 -0.000 0.000 0.238 5 I C 1.815 177.895 176.117 -0.063 0.000 1.070 5 I CA 1.441 62.638 61.300 -0.172 0.000 1.332 5 I CB -0.600 37.263 38.000 -0.228 0.000 1.044 5 I HN 0.283 nan 8.210 nan 0.000 0.402 6 N N 0.613 119.344 118.700 0.052 0.000 2.137 6 N HA -0.271 4.469 4.740 -0.000 0.000 0.190 6 N C 1.485 177.042 175.510 0.078 0.000 1.017 6 N CA 1.687 54.832 53.050 0.159 0.000 0.859 6 N CB -0.177 38.392 38.487 0.137 0.000 1.002 6 N HN 0.377 nan 8.380 nan 0.000 0.428 7 D N 0.645 121.064 120.400 0.031 0.000 2.097 7 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 7 D C 1.751 178.071 176.300 0.034 0.000 0.984 7 D CA 0.595 54.624 54.000 0.049 0.000 0.826 7 D CB -0.015 40.793 40.800 0.013 0.000 0.973 7 D HN 0.114 nan 8.370 nan 0.000 0.460 8 I N -0.253 120.306 120.570 -0.019 0.000 2.353 8 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 8 I C 2.009 178.105 176.117 -0.035 0.000 1.119 8 I CA 0.759 62.042 61.300 -0.028 0.000 1.417 8 I CB -0.149 37.824 38.000 -0.045 0.000 1.078 8 I HN -0.048 nan 8.210 nan 0.000 0.421 9 V N 0.302 120.156 119.914 -0.099 0.000 2.343 9 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 9 V C 2.550 178.695 176.094 0.084 0.000 1.051 9 V CA 2.273 64.483 62.300 -0.150 0.000 1.036 9 V CB -1.056 30.362 31.823 -0.675 0.000 0.654 9 V HN 0.558 nan 8.190 nan 0.000 0.451 10 H N 0.630 119.721 119.070 0.036 0.000 2.389 10 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 10 H C 2.389 177.774 175.328 0.095 0.000 1.081 10 H CA 1.735 57.872 56.048 0.149 0.000 1.345 10 H CB -0.049 29.790 29.762 0.128 0.000 1.393 10 H HN 0.279 nan 8.280 nan 0.000 0.520 11 R N -1.117 119.365 120.500 -0.031 0.000 2.189 11 R HA -0.000 4.340 4.340 -0.000 0.000 0.218 11 R C 1.661 177.921 176.300 -0.066 0.000 1.074 11 R CA 1.550 57.591 56.100 -0.099 0.000 0.991 11 R CB 0.274 30.548 30.300 -0.043 0.000 0.883 11 R HN 0.318 nan 8.270 nan 0.000 0.457 12 T N 0.402 114.937 114.554 -0.031 0.000 2.980 12 T HA 0.115 4.465 4.350 -0.000 0.000 0.239 12 T C 1.738 176.401 174.700 -0.062 0.000 1.011 12 T CA 0.288 62.373 62.100 -0.025 0.000 1.171 12 T CB 0.158 69.028 68.868 0.004 0.000 0.873 12 T HN -0.054 nan 8.240 nan 0.000 0.431 13 I N 2.163 122.685 120.570 -0.081 0.000 2.233 13 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 13 I C 2.640 178.529 176.117 -0.380 0.000 1.093 13 I CA 1.428 62.575 61.300 -0.254 0.000 1.380 13 I CB -1.922 35.840 38.000 -0.397 0.000 1.067 13 I HN 0.252 nan 8.210 nan 0.000 0.413 14 T N 2.184 116.631 114.554 -0.180 0.000 2.665 14 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 14 T C -0.245 174.365 174.700 -0.150 0.000 1.035 14 T CA 1.903 63.943 62.100 -0.101 0.000 1.151 14 T CB -1.322 67.713 68.868 0.278 0.000 0.862 14 T HN 0.237 nan 8.240 nan 0.000 0.438 15 P HA 0.023 nan 4.420 nan 0.000 0.217 15 P C 1.650 178.876 177.300 -0.124 0.000 1.151 15 P CA 0.416 63.452 63.100 -0.106 0.000 0.828 15 P CB -0.176 31.473 31.700 -0.086 0.000 0.788 16 L N -0.420 120.713 121.223 -0.150 0.000 2.043 16 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 16 L C 2.115 178.842 176.870 -0.238 0.000 1.075 16 L CA 1.893 56.635 54.840 -0.163 0.000 0.752 16 L CB -1.221 40.741 42.059 -0.163 0.000 0.891 16 L HN -0.117 nan 8.230 nan 0.000 0.432 17 I N -0.600 119.785 120.570 -0.308 0.000 2.163 17 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 17 I C 2.475 178.478 176.117 -0.191 0.000 1.085 17 I CA 1.190 62.303 61.300 -0.311 0.000 1.347 17 I CB -0.473 37.291 38.000 -0.393 0.000 1.044 17 I HN 0.318 nan 8.210 nan 0.000 0.408 18 E N 0.737 120.853 120.200 -0.139 0.000 2.051 18 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 18 E C 2.177 178.732 176.600 -0.076 0.000 0.991 18 E CA 1.411 57.762 56.400 -0.083 0.000 0.799 18 E CB -0.439 29.229 29.700 -0.054 0.000 0.748 18 E HN 0.603 nan 8.360 nan 0.000 0.449 19 Q N 0.157 119.909 119.800 -0.080 0.000 2.167 19 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 19 Q C 1.783 177.749 176.000 -0.058 0.000 0.970 19 Q CA 0.915 56.684 55.803 -0.056 0.000 0.855 19 Q CB 0.104 28.816 28.738 -0.043 0.000 0.911 19 Q HN 0.146 nan 8.270 nan 0.000 0.438 20 Q N -0.142 119.595 119.800 -0.105 0.000 2.282 20 Q HA 0.077 4.417 4.340 -0.000 0.000 0.206 20 Q C -0.208 175.730 176.000 -0.103 0.000 0.878 20 Q CA 0.165 55.903 55.803 -0.107 0.000 0.944 20 Q CB 0.927 29.523 28.738 -0.238 0.000 1.100 20 Q HN 0.171 nan 8.270 nan 0.000 0.509 21 K N 0.101 120.442 120.400 -0.098 0.000 3.129 21 K HA -0.183 4.137 4.320 -0.000 0.000 0.273 21 K C -0.177 176.370 176.600 -0.088 0.000 1.123 21 K CA 0.418 56.661 56.287 -0.073 0.000 0.800 21 K CB -2.618 29.859 32.500 -0.040 0.000 1.238 21 K HN 0.348 nan 8.250 nan 0.000 0.492 22 I N 1.807 122.291 120.570 -0.144 0.000 2.587 22 I HA -0.038 4.132 4.170 -0.000 0.000 0.284 22 I C -0.658 175.426 176.117 -0.055 0.000 1.134 22 I CA -1.541 59.685 61.300 -0.123 0.000 1.410 22 I CB 0.464 38.324 38.000 -0.233 0.000 1.392 22 I HN -0.066 nan 8.210 nan 0.000 0.545 23 P HA -0.022 nan 4.420 nan 0.000 0.215 23 P C 0.449 177.802 177.300 0.089 0.000 1.157 23 P CA 0.583 63.676 63.100 -0.011 0.000 0.859 23 P CB 0.273 31.888 31.700 -0.141 0.000 0.786 24 G N -1.440 107.464 108.800 0.173 0.000 2.612 24 G HA2 0.721 4.680 3.960 -0.000 0.000 0.298 24 G HA3 0.721 4.680 3.960 -0.000 0.000 0.298 24 G C -1.593 173.534 174.900 0.379 0.000 1.336 24 G CA -0.258 45.016 45.100 0.289 0.000 0.953 24 G HN -0.121 nan 8.290 nan 0.000 0.482 25 M N 0.200 120.075 119.600 0.458 0.000 2.426 25 M HA 0.580 5.060 4.480 -0.000 0.000 0.289 25 M C -1.505 175.112 176.300 0.528 0.000 1.168 25 M CA -0.570 54.968 55.300 0.397 0.000 0.933 25 M CB 2.302 34.985 32.600 0.138 0.000 1.750 25 M HN 0.912 nan 8.290 nan 0.000 0.494 26 A N 2.925 125.923 122.820 0.297 0.000 2.386 26 A HA 0.916 5.236 4.320 -0.000 0.000 0.311 26 A C -1.567 176.217 177.584 0.333 0.000 1.068 26 A CA -0.561 51.689 52.037 0.354 0.000 0.743 26 A CB 1.872 21.015 19.000 0.238 0.000 1.258 26 A HN 0.534 nan 8.150 nan 0.000 0.429 27 V N 0.645 120.866 119.914 0.512 0.000 2.760 27 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 27 V C -0.060 176.344 176.094 0.516 0.000 1.077 27 V CA -0.220 62.369 62.300 0.482 0.000 0.910 27 V CB 1.860 34.017 31.823 0.557 0.000 1.008 27 V HN 1.484 nan 8.190 nan 0.000 0.424 28 A N 3.944 126.982 122.820 0.363 0.000 2.330 28 A HA 0.878 5.198 4.320 -0.000 0.000 0.313 28 A C -1.093 176.607 177.584 0.194 0.000 1.124 28 A CA -0.557 51.617 52.037 0.227 0.000 0.774 28 A CB 1.713 20.805 19.000 0.153 0.000 1.198 28 A HN 0.694 nan 8.150 nan 0.000 0.465 29 V N 3.884 123.931 119.914 0.222 0.000 2.384 29 V HA 0.320 4.439 4.120 -0.000 0.000 0.287 29 V C -0.668 175.537 176.094 0.186 0.000 1.020 29 V CA -0.250 62.182 62.300 0.220 0.000 0.850 29 V CB 1.169 33.164 31.823 0.287 0.000 0.987 29 V HN 0.738 nan 8.190 nan 0.000 0.436 30 I N 5.741 126.376 120.570 0.108 0.000 2.325 30 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 30 I C -0.543 175.680 176.117 0.178 0.000 1.019 30 I CA -0.033 61.312 61.300 0.074 0.000 1.302 30 I CB 0.595 38.569 38.000 -0.043 0.000 1.401 30 I HN 0.593 nan 8.210 nan 0.000 0.485 31 Y N 5.500 125.879 120.300 0.132 0.000 2.331 31 Y HA 0.308 4.858 4.550 -0.000 0.000 0.334 31 Y C 0.236 176.187 175.900 0.084 0.000 0.960 31 Y CA -0.660 57.507 58.100 0.111 0.000 1.130 31 Y CB 0.931 39.479 38.460 0.147 0.000 1.164 31 Y HN 0.641 nan 8.280 nan 0.000 0.458 32 Q N 4.649 124.196 119.800 -0.423 0.000 2.435 32 Q HA -0.296 4.044 4.340 -0.000 0.000 0.312 32 Q C 1.138 177.066 176.000 -0.120 0.000 1.333 32 Q CA 1.148 56.764 55.803 -0.313 0.000 0.883 32 Q CB -1.563 26.962 28.738 -0.355 0.000 1.170 32 Q HN 1.314 nan 8.270 nan 0.000 0.443 33 G N -0.791 107.947 108.800 -0.104 0.000 2.267 33 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 33 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 33 G C 0.146 175.001 174.900 -0.074 0.000 0.998 33 G CA 0.730 45.775 45.100 -0.091 0.000 0.620 33 G HN 0.277 nan 8.290 nan 0.000 0.529 34 K N 1.654 122.033 120.400 -0.035 0.000 2.123 34 K HA 0.491 4.811 4.320 -0.000 0.000 0.259 34 K C -2.605 173.817 176.600 -0.297 0.000 0.960 34 K CA -1.692 54.509 56.287 -0.144 0.000 0.872 34 K CB 2.634 35.056 32.500 -0.130 0.000 1.079 34 K HN 0.139 nan 8.250 nan 0.000 0.440 35 P HA 0.250 nan 4.420 nan 0.000 0.286 35 P C -1.467 175.162 177.300 -1.118 0.000 1.261 35 P CA -0.425 62.298 63.100 -0.629 0.000 0.821 35 P CB 0.642 32.017 31.700 -0.541 0.000 1.013 36 Y N 1.055 121.099 120.300 -0.427 0.000 2.373 36 Y HA 0.424 4.974 4.550 -0.000 0.000 0.336 36 Y C -0.130 175.468 175.900 -0.504 0.000 0.979 36 Y CA -0.464 57.417 58.100 -0.365 0.000 1.080 36 Y CB 1.735 40.157 38.460 -0.063 0.000 1.190 36 Y HN 0.277 nan 8.280 nan 0.000 0.446 37 Y N 2.734 122.886 120.300 -0.247 0.000 2.409 37 Y HA 0.681 5.231 4.550 -0.000 0.000 0.339 37 Y C -0.908 174.616 175.900 -0.628 0.000 1.033 37 Y CA -1.325 56.652 58.100 -0.206 0.000 1.094 37 Y CB 1.333 39.739 38.460 -0.091 0.000 1.210 37 Y HN 0.387 nan 8.280 nan 0.000 0.456 38 F N 0.246 120.290 119.950 0.156 0.000 2.551 38 F HA 0.664 5.191 4.527 -0.000 0.000 0.316 38 F C 0.013 175.709 175.800 -0.174 0.000 1.089 38 F CA -0.819 57.080 58.000 -0.169 0.000 0.915 38 F CB 2.454 41.332 39.000 -0.202 0.000 1.186 38 F HN 0.276 nan 8.300 nan 0.000 0.456 39 T N 2.277 116.621 114.554 -0.351 0.000 2.900 39 T HA 0.513 4.863 4.350 -0.000 0.000 0.295 39 T C -1.624 172.965 174.700 -0.185 0.000 1.044 39 T CA -0.619 61.448 62.100 -0.054 0.000 0.995 39 T CB 1.268 70.131 68.868 -0.008 0.000 1.072 39 T HN 0.480 nan 8.240 nan 0.000 0.473 40 W N 1.034 122.411 121.300 0.128 0.000 3.167 40 W HA 0.450 5.110 4.660 -0.000 0.000 0.324 40 W C 0.779 177.310 176.519 0.020 0.000 1.230 40 W CA -0.629 56.756 57.345 0.065 0.000 1.184 40 W CB 1.258 30.764 29.460 0.076 0.000 1.414 40 W HN 1.109 nan 8.180 nan 0.000 0.551 41 G N 1.373 110.250 108.800 0.128 0.000 2.582 41 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.300 41 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.300 41 G C -1.214 173.601 174.900 -0.143 0.000 1.300 41 G CA 0.373 45.390 45.100 -0.137 0.000 0.959 41 G HN 0.533 nan 8.290 nan 0.000 0.548 42 Y N -0.194 120.185 120.300 0.131 0.000 2.409 42 Y HA 0.574 5.124 4.550 -0.000 0.000 0.339 42 Y C 1.334 177.328 175.900 0.157 0.000 1.033 42 Y CA -0.351 57.822 58.100 0.122 0.000 1.094 42 Y CB 1.952 40.456 38.460 0.074 0.000 1.210 42 Y HN 0.701 nan 8.280 nan 0.000 0.456 43 A N 0.767 123.787 122.820 0.333 0.000 2.016 43 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 43 A C 0.245 178.018 177.584 0.315 0.000 1.162 43 A CA 1.346 53.519 52.037 0.226 0.000 0.662 43 A CB 0.036 19.105 19.000 0.115 0.000 0.812 43 A HN 0.689 nan 8.150 nan 0.000 0.450 44 D N -1.066 119.523 120.400 0.315 0.000 2.478 44 D HA 0.354 4.994 4.640 -0.000 0.000 0.240 44 D C 0.607 176.966 176.300 0.099 0.000 1.364 44 D CA -0.448 53.759 54.000 0.345 0.000 0.987 44 D CB 0.670 41.664 40.800 0.323 0.000 1.328 44 D HN 0.114 nan 8.370 nan 0.000 0.584 45 I N 2.300 122.917 120.570 0.079 0.000 2.113 45 I HA -0.256 3.914 4.170 -0.000 0.000 0.238 45 I C 2.557 178.532 176.117 -0.236 0.000 1.070 45 I CA 1.438 62.626 61.300 -0.188 0.000 1.332 45 I CB -0.231 37.622 38.000 -0.245 0.000 1.044 45 I HN 0.477 nan 8.210 nan 0.000 0.402 46 A N 0.876 123.629 122.820 -0.111 0.000 1.869 46 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 46 A C 2.078 179.579 177.584 -0.138 0.000 1.203 46 A CA 1.872 53.838 52.037 -0.119 0.000 0.638 46 A CB -0.486 18.453 19.000 -0.101 0.000 0.831 46 A HN 0.275 nan 8.150 nan 0.000 0.450 47 K N -0.196 120.142 120.400 -0.103 0.000 2.551 47 K HA 0.059 4.378 4.320 -0.000 0.000 0.192 47 K C -0.034 176.465 176.600 -0.169 0.000 1.027 47 K CA 0.362 56.596 56.287 -0.088 0.000 1.059 47 K CB -0.203 32.294 32.500 -0.005 0.000 0.831 47 K HN 0.612 nan 8.250 nan 0.000 0.508 48 K N 1.315 121.470 120.400 -0.408 0.000 3.078 48 K HA -0.232 4.088 4.320 -0.000 0.000 0.261 48 K C -0.080 176.385 176.600 -0.226 0.000 0.947 48 K CA 0.431 56.234 56.287 -0.806 0.000 0.702 48 K CB -1.137 31.069 32.500 -0.490 0.000 1.318 48 K HN 0.187 nan 8.250 nan 0.000 0.473 49 Q N 0.888 120.658 119.800 -0.050 0.000 2.288 49 Q HA 0.186 4.526 4.340 -0.000 0.000 0.258 49 Q C -2.244 173.953 176.000 0.328 0.000 0.957 49 Q CA -1.985 53.898 55.803 0.134 0.000 0.919 49 Q CB 0.941 29.750 28.738 0.117 0.000 1.185 49 Q HN 0.050 nan 8.270 nan 0.000 0.408 50 P HA 0.079 nan 4.420 nan 0.000 0.278 50 P C -0.801 176.627 177.300 0.212 0.000 1.258 50 P CA -0.426 62.855 63.100 0.301 0.000 0.811 50 P CB 0.888 32.697 31.700 0.183 0.000 1.063 51 V N 1.365 121.405 119.914 0.210 0.000 2.614 51 V HA 0.314 4.434 4.120 -0.000 0.000 0.291 51 V C 1.206 177.404 176.094 0.173 0.000 1.049 51 V CA 0.698 63.138 62.300 0.233 0.000 1.038 51 V CB 0.510 32.549 31.823 0.361 0.000 0.980 51 V HN 0.939 nan 8.190 nan 0.000 0.481 52 T N 1.534 116.177 114.554 0.149 0.000 2.669 52 T HA 0.297 4.647 4.350 -0.000 0.000 0.283 52 T C 0.423 175.160 174.700 0.062 0.000 1.019 52 T CA -0.721 61.424 62.100 0.075 0.000 1.039 52 T CB 1.563 70.446 68.868 0.025 0.000 1.374 52 T HN 0.289 nan 8.240 nan 0.000 0.523 53 Q N -0.011 119.764 119.800 -0.040 0.000 2.364 53 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 53 Q C 1.503 177.441 176.000 -0.103 0.000 0.977 53 Q CA 1.423 57.148 55.803 -0.130 0.000 0.885 53 Q CB -0.266 28.336 28.738 -0.227 0.000 0.941 53 Q HN 0.734 nan 8.270 nan 0.000 0.464 54 Q N -0.409 119.339 119.800 -0.088 0.000 2.179 54 Q HA 0.130 4.470 4.340 -0.000 0.000 0.213 54 Q C -0.392 175.574 176.000 -0.055 0.000 0.833 54 Q CA -0.098 55.613 55.803 -0.153 0.000 0.990 54 Q CB 0.949 29.547 28.738 -0.234 0.000 1.132 54 Q HN 0.080 nan 8.270 nan 0.000 0.493 55 T N 1.598 116.178 114.554 0.043 0.000 2.799 55 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 55 T C -0.196 174.545 174.700 0.068 0.000 0.947 55 T CA -0.013 62.106 62.100 0.031 0.000 1.141 55 T CB 0.353 69.250 68.868 0.049 0.000 0.891 55 T HN 0.049 nan 8.240 nan 0.000 0.533 56 L N 4.322 125.532 121.223 -0.021 0.000 2.326 56 L HA 0.504 4.844 4.340 -0.000 0.000 0.278 56 L C -0.369 176.465 176.870 -0.060 0.000 1.092 56 L CA -0.092 54.745 54.840 -0.005 0.000 0.810 56 L CB 0.392 42.357 42.059 -0.156 0.000 1.153 56 L HN 0.529 nan 8.230 nan 0.000 0.439 57 F N 0.653 120.599 119.950 -0.005 0.000 2.538 57 F HA 0.413 4.940 4.527 -0.000 0.000 0.325 57 F C 0.389 175.972 175.800 -0.361 0.000 1.066 57 F CA -0.878 57.091 58.000 -0.052 0.000 0.946 57 F CB 1.370 40.474 39.000 0.172 0.000 1.199 57 F HN 0.394 nan 8.300 nan 0.000 0.473 58 E N 2.934 122.695 120.200 -0.732 0.000 2.223 58 E HA 0.183 4.533 4.350 -0.000 0.000 0.282 58 E C 0.424 176.946 176.600 -0.130 0.000 1.046 58 E CA -0.079 56.012 56.400 -0.515 0.000 0.857 58 E CB 1.004 30.264 29.700 -0.733 0.000 1.055 58 E HN 0.629 nan 8.360 nan 0.000 0.409 59 L N 2.778 123.999 121.223 -0.004 0.000 2.418 59 L HA 0.047 4.387 4.340 -0.000 0.000 0.218 59 L C 1.463 178.432 176.870 0.165 0.000 1.125 59 L CA 0.553 55.461 54.840 0.114 0.000 0.835 59 L CB -0.737 41.388 42.059 0.110 0.000 0.953 59 L HN 0.921 nan 8.230 nan 0.000 0.454 60 G N 0.371 109.269 108.800 0.162 0.000 2.591 60 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.298 60 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.298 60 G C 0.909 175.954 174.900 0.243 0.000 1.195 60 G CA 0.451 45.678 45.100 0.212 0.000 0.989 60 G HN 0.198 nan 8.290 nan 0.000 0.551 61 S N -0.148 115.691 115.700 0.231 0.000 2.474 61 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 61 S C 2.408 177.142 174.600 0.223 0.000 0.997 61 S CA 1.345 59.700 58.200 0.258 0.000 0.949 61 S CB -0.109 63.275 63.200 0.307 0.000 0.766 61 S HN 0.730 nan 8.310 nan 0.000 0.517 62 V N 1.880 121.915 119.914 0.202 0.000 2.828 62 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 62 V C 2.107 178.318 176.094 0.194 0.000 1.101 62 V CA 1.505 63.908 62.300 0.171 0.000 1.123 62 V CB -0.827 31.121 31.823 0.209 0.000 0.704 62 V HN 0.460 nan 8.190 nan 0.000 0.493 63 S N -0.184 115.653 115.700 0.230 0.000 2.400 63 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 63 S C 1.868 176.626 174.600 0.263 0.000 1.025 63 S CA 1.181 59.545 58.200 0.275 0.000 0.993 63 S CB -0.270 63.039 63.200 0.183 0.000 0.808 63 S HN 0.655 nan 8.310 nan 0.000 0.478 64 K N 1.088 121.600 120.400 0.187 0.000 2.281 64 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 64 K C 2.419 179.052 176.600 0.055 0.000 1.046 64 K CA 1.592 57.970 56.287 0.152 0.000 0.938 64 K CB -0.580 32.025 32.500 0.174 0.000 0.737 64 K HN 0.647 nan 8.250 nan 0.000 0.458 65 T N -1.116 113.377 114.554 -0.100 0.000 2.857 65 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 65 T C 1.778 176.493 174.700 0.026 0.000 1.048 65 T CA 0.761 62.626 62.100 -0.392 0.000 1.139 65 T CB -0.393 67.799 68.868 -1.128 0.000 0.874 65 T HN 0.038 nan 8.240 nan 0.000 0.455 66 F N 2.178 122.198 119.950 0.117 0.000 2.186 66 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 66 F C 2.977 178.845 175.800 0.114 0.000 1.090 66 F CA 1.318 59.349 58.000 0.051 0.000 1.307 66 F CB -1.037 37.857 39.000 -0.175 0.000 1.019 66 F HN 0.149 nan 8.300 nan 0.000 0.489 67 T N -0.597 114.150 114.554 0.322 0.000 2.746 67 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 67 T C 2.392 177.273 174.700 0.303 0.000 1.039 67 T CA 1.382 63.681 62.100 0.333 0.000 1.142 67 T CB -1.032 68.038 68.868 0.337 0.000 0.866 67 T HN 0.430 nan 8.240 nan 0.000 0.444 68 G N 1.201 110.156 108.800 0.257 0.000 2.459 68 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 68 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 68 G C 1.705 176.765 174.900 0.267 0.000 1.183 68 G CA 0.984 46.236 45.100 0.253 0.000 0.776 68 G HN 0.431 nan 8.290 nan 0.000 0.552 69 V N 0.635 120.713 119.914 0.274 0.000 2.407 69 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 69 V C 2.690 178.897 176.094 0.188 0.000 1.055 69 V CA 1.599 64.063 62.300 0.272 0.000 1.049 69 V CB -0.407 31.666 31.823 0.416 0.000 0.662 69 V HN 0.340 nan 8.190 nan 0.000 0.455 70 L N 1.341 122.650 121.223 0.143 0.000 2.017 70 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 70 L C 2.357 179.235 176.870 0.012 0.000 1.073 70 L CA 2.452 57.294 54.840 0.005 0.000 0.745 70 L CB -1.363 40.611 42.059 -0.141 0.000 0.894 70 L HN 0.263 nan 8.230 nan 0.000 0.432 71 G N -1.141 107.716 108.800 0.095 0.000 2.418 71 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 71 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 71 G C 1.536 176.538 174.900 0.170 0.000 1.158 71 G CA 0.585 45.757 45.100 0.120 0.000 0.771 71 G HN 0.598 nan 8.290 nan 0.000 0.545 72 G N 0.679 109.594 108.800 0.193 0.000 2.440 72 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 72 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 72 G C 1.456 176.412 174.900 0.094 0.000 1.154 72 G CA 1.417 46.609 45.100 0.153 0.000 0.767 72 G HN 0.510 nan 8.290 nan 0.000 0.552 73 D N 0.400 120.842 120.400 0.070 0.000 2.144 73 D HA 0.044 4.684 4.640 -0.000 0.000 0.199 73 D C 2.637 178.938 176.300 0.002 0.000 0.984 73 D CA 1.385 55.402 54.000 0.028 0.000 0.834 73 D CB -0.240 40.564 40.800 0.007 0.000 0.955 73 D HN 0.262 nan 8.370 nan 0.000 0.465 74 A N -0.180 122.631 122.820 -0.016 0.000 1.968 74 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 74 A C 2.238 179.815 177.584 -0.011 0.000 1.169 74 A CA 0.778 52.789 52.037 -0.043 0.000 0.638 74 A CB -0.619 18.318 19.000 -0.105 0.000 0.812 74 A HN 0.360 nan 8.150 nan 0.000 0.446 75 I N -0.110 120.476 120.570 0.026 0.000 2.142 75 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 75 I C 2.950 179.088 176.117 0.036 0.000 1.078 75 I CA 1.116 62.444 61.300 0.046 0.000 1.343 75 I CB -0.378 37.669 38.000 0.080 0.000 1.046 75 I HN 0.317 nan 8.210 nan 0.000 0.405 76 A N 0.703 123.544 122.820 0.034 0.000 1.986 76 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 76 A C 2.314 179.906 177.584 0.013 0.000 1.171 76 A CA 1.613 53.665 52.037 0.024 0.000 0.640 76 A CB -0.631 18.383 19.000 0.023 0.000 0.811 76 A HN 0.371 nan 8.150 nan 0.000 0.451 77 R N -1.638 118.865 120.500 0.005 0.000 2.299 77 R HA 0.176 4.516 4.340 -0.000 0.000 0.197 77 R C 1.289 177.592 176.300 0.004 0.000 0.971 77 R CA 0.536 56.634 56.100 -0.003 0.000 1.030 77 R CB -0.137 30.152 30.300 -0.017 0.000 0.932 77 R HN 0.705 nan 8.270 nan 0.000 0.477 78 G N 1.123 109.932 108.800 0.013 0.000 2.143 78 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 78 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 78 G C 0.466 175.383 174.900 0.027 0.000 0.991 78 G CA 0.521 45.635 45.100 0.024 0.000 0.689 78 G HN 0.452 nan 8.290 nan 0.000 0.522 79 E N -0.653 119.554 120.200 0.011 0.000 2.190 79 E HA 0.287 4.637 4.350 -0.000 0.000 0.191 79 E C 1.515 178.131 176.600 0.026 0.000 0.978 79 E CA 1.119 57.524 56.400 0.007 0.000 0.839 79 E CB 0.238 29.915 29.700 -0.039 0.000 0.787 79 E HN 0.898 nan 8.360 nan 0.000 0.473 80 I N -2.283 118.291 120.570 0.007 0.000 3.191 80 I HA 0.486 4.655 4.170 -0.000 0.000 0.313 80 I C -1.586 174.583 176.117 0.087 0.000 1.193 80 I CA -1.412 59.907 61.300 0.032 0.000 0.968 80 I CB 2.250 40.130 38.000 -0.201 0.000 1.262 80 I HN -0.305 nan 8.210 nan 0.000 0.456 81 K N 2.123 122.611 120.400 0.146 0.000 2.469 81 K HA 0.506 4.826 4.320 -0.000 0.000 0.254 81 K C -0.259 176.419 176.600 0.131 0.000 0.939 81 K CA -0.862 55.497 56.287 0.119 0.000 0.812 81 K CB 2.909 35.473 32.500 0.107 0.000 1.301 81 K HN 0.592 nan 8.250 nan 0.000 0.433 82 L N 0.981 122.255 121.223 0.085 0.000 2.456 82 L HA -0.133 4.207 4.340 -0.000 0.000 0.224 82 L C 1.875 178.763 176.870 0.031 0.000 1.148 82 L CA 1.155 56.019 54.840 0.040 0.000 0.825 82 L CB -0.374 41.642 42.059 -0.071 0.000 0.937 82 L HN 0.805 nan 8.230 nan 0.000 0.450 83 S N -2.955 112.779 115.700 0.057 0.000 2.528 83 S HA 0.023 4.493 4.470 -0.000 0.000 0.219 83 S C 0.627 175.283 174.600 0.093 0.000 0.985 83 S CA -0.391 57.840 58.200 0.051 0.000 0.914 83 S CB -0.229 63.000 63.200 0.048 0.000 0.776 83 S HN 0.216 nan 8.310 nan 0.000 0.526 84 D N 4.467 124.954 120.400 0.145 0.000 2.414 84 D HA 0.242 4.882 4.640 -0.000 0.000 0.242 84 D C -2.352 174.060 176.300 0.187 0.000 1.129 84 D CA -1.299 52.804 54.000 0.173 0.000 0.885 84 D CB 0.826 41.809 40.800 0.305 0.000 1.198 84 D HN 0.238 nan 8.370 nan 0.000 0.437 85 P HA 0.020 nan 4.420 nan 0.000 0.271 85 P C 0.633 178.042 177.300 0.181 0.000 1.218 85 P CA -0.236 62.959 63.100 0.159 0.000 0.780 85 P CB 0.840 32.602 31.700 0.104 0.000 0.901 86 T N 1.683 116.383 114.554 0.243 0.000 2.665 86 T HA -0.144 4.205 4.350 -0.000 0.000 0.268 86 T C 1.674 176.462 174.700 0.147 0.000 1.035 86 T CA 2.397 64.638 62.100 0.234 0.000 1.151 86 T CB -1.012 67.997 68.868 0.236 0.000 0.862 86 T HN 0.522 nan 8.240 nan 0.000 0.438 87 T N 1.461 116.060 114.554 0.076 0.000 2.849 87 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 87 T C 1.847 176.527 174.700 -0.033 0.000 1.066 87 T CA 1.197 63.303 62.100 0.009 0.000 1.130 87 T CB -0.206 68.664 68.868 0.004 0.000 0.864 87 T HN 0.457 nan 8.240 nan 0.000 0.481 88 K N 0.204 120.525 120.400 -0.132 0.000 2.152 88 K HA -0.142 4.177 4.320 -0.000 0.000 0.206 88 K C 1.075 177.388 176.600 -0.479 0.000 1.048 88 K CA 1.417 57.485 56.287 -0.365 0.000 0.933 88 K CB -0.100 32.044 32.500 -0.593 0.000 0.721 88 K HN 0.461 nan 8.250 nan 0.000 0.447 89 Y N -2.637 117.700 120.300 0.061 0.000 2.467 89 Y HA 0.143 4.692 4.550 -0.000 0.000 0.250 89 Y C 0.127 176.082 175.900 0.092 0.000 1.155 89 Y CA -0.604 57.521 58.100 0.041 0.000 1.249 89 Y CB 0.564 39.022 38.460 -0.003 0.000 1.146 89 Y HN 0.128 nan 8.280 nan 0.000 0.524 90 W N 2.802 124.098 121.300 -0.006 0.000 2.036 90 W HA 0.420 5.080 4.660 -0.000 0.000 0.294 90 W C -2.507 173.961 176.519 -0.086 0.000 0.948 90 W CA -3.708 53.598 57.345 -0.064 0.000 1.774 90 W CB 0.914 30.289 29.460 -0.142 0.000 1.950 90 W HN -0.095 nan 8.180 nan 0.000 0.384 91 P HA -0.236 nan 4.420 nan 0.000 0.220 91 P C 1.377 178.647 177.300 -0.050 0.000 1.144 91 P CA 1.975 65.096 63.100 0.035 0.000 0.800 91 P CB 0.304 32.030 31.700 0.043 0.000 0.772 92 E N -0.922 119.230 120.200 -0.080 0.000 2.427 92 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 92 E C 0.698 177.027 176.600 -0.451 0.000 1.028 92 E CA 0.214 56.486 56.400 -0.214 0.000 0.864 92 E CB -0.636 28.983 29.700 -0.134 0.000 0.813 92 E HN 0.234 nan 8.360 nan 0.000 0.514 93 L N 3.467 124.297 121.223 -0.655 0.000 2.395 93 L HA 0.102 4.441 4.340 -0.000 0.000 0.268 93 L C 0.817 177.484 176.870 -0.339 0.000 1.223 93 L CA 0.311 54.709 54.840 -0.736 0.000 1.093 93 L CB -0.085 41.365 42.059 -1.015 0.000 1.349 93 L HN 0.005 nan 8.230 nan 0.000 0.427 94 T N -0.409 114.025 114.554 -0.201 0.000 3.037 94 T HA 0.313 4.663 4.350 -0.000 0.000 0.251 94 T C 0.976 175.695 174.700 0.031 0.000 1.079 94 T CA 0.251 62.313 62.100 -0.062 0.000 1.067 94 T CB -0.066 68.770 68.868 -0.054 0.000 0.948 94 T HN 0.546 nan 8.240 nan 0.000 0.496 95 A N 1.931 124.796 122.820 0.074 0.000 2.587 95 A HA 0.165 4.485 4.320 -0.000 0.000 0.235 95 A C 1.601 179.305 177.584 0.200 0.000 1.044 95 A CA 0.012 52.142 52.037 0.155 0.000 0.754 95 A CB 0.042 19.188 19.000 0.242 0.000 0.968 95 A HN 0.413 nan 8.150 nan 0.000 0.509 96 K N 0.795 121.256 120.400 0.102 0.000 2.152 96 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 96 K C 2.122 178.753 176.600 0.052 0.000 1.048 96 K CA 1.715 58.045 56.287 0.070 0.000 0.933 96 K CB -0.022 32.491 32.500 0.022 0.000 0.721 96 K HN 0.960 nan 8.250 nan 0.000 0.447 97 Q N -0.628 119.166 119.800 -0.009 0.000 2.364 97 Q HA -0.192 4.148 4.340 -0.000 0.000 0.209 97 Q C 1.038 176.939 176.000 -0.165 0.000 0.977 97 Q CA 1.297 57.009 55.803 -0.151 0.000 0.885 97 Q CB -0.487 28.056 28.738 -0.324 0.000 0.941 97 Q HN 0.439 nan 8.270 nan 0.000 0.464 98 W N 1.482 122.834 121.300 0.086 0.000 3.003 98 W HA 0.194 4.854 4.660 -0.000 0.000 0.257 98 W C 1.938 178.512 176.519 0.093 0.000 1.308 98 W CA -0.177 57.240 57.345 0.119 0.000 1.529 98 W CB -0.111 29.399 29.460 0.083 0.000 1.115 98 W HN 0.190 nan 8.180 nan 0.000 0.659 99 N N 0.319 119.149 118.700 0.217 0.000 2.064 99 N HA -0.181 4.559 4.740 -0.000 0.000 0.200 99 N C 1.662 177.271 175.510 0.164 0.000 1.028 99 N CA 2.143 55.289 53.050 0.160 0.000 0.880 99 N CB -0.730 37.815 38.487 0.097 0.000 1.062 99 N HN 0.238 nan 8.380 nan 0.000 0.454 100 G N -0.120 108.767 108.800 0.145 0.000 3.434 100 G HA2 0.292 4.252 3.960 -0.000 0.000 0.258 100 G HA3 0.292 4.252 3.960 -0.000 0.000 0.258 100 G C 0.386 175.439 174.900 0.255 0.000 1.128 100 G CA -0.355 44.851 45.100 0.177 0.000 0.792 100 G HN 0.156 nan 8.290 nan 0.000 0.539 101 I N 2.903 123.640 120.570 0.279 0.000 2.337 101 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 101 I C 0.905 177.337 176.117 0.525 0.000 1.046 101 I CA -0.301 61.238 61.300 0.399 0.000 1.324 101 I CB 1.031 39.234 38.000 0.339 0.000 1.409 101 I HN 0.078 nan 8.210 nan 0.000 0.494 102 T N 3.074 118.031 114.554 0.671 0.000 2.923 102 T HA 0.445 4.795 4.350 -0.000 0.000 0.281 102 T C 1.229 176.065 174.700 0.227 0.000 0.995 102 T CA -0.874 61.399 62.100 0.289 0.000 0.985 102 T CB 1.518 70.416 68.868 0.050 0.000 1.114 102 T HN 0.427 nan 8.240 nan 0.000 0.548 103 L N 0.299 121.641 121.223 0.198 0.000 2.127 103 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 103 L C 2.558 179.426 176.870 -0.005 0.000 1.089 103 L CA 1.003 55.975 54.840 0.220 0.000 0.757 103 L CB -0.794 41.449 42.059 0.306 0.000 0.899 103 L HN 0.626 nan 8.230 nan 0.000 0.434 104 L N -0.527 120.628 121.223 -0.113 0.000 1.989 104 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 104 L C 2.763 179.560 176.870 -0.122 0.000 1.071 104 L CA 1.908 56.604 54.840 -0.239 0.000 0.749 104 L CB -0.761 41.158 42.059 -0.234 0.000 0.890 104 L HN 0.258 nan 8.230 nan 0.000 0.431 105 H N -0.272 118.858 119.070 0.099 0.000 2.352 105 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 105 H C 2.389 177.718 175.328 0.002 0.000 1.097 105 H CA 2.061 58.163 56.048 0.091 0.000 1.311 105 H CB -0.549 29.290 29.762 0.129 0.000 1.377 105 H HN 0.394 nan 8.280 nan 0.000 0.504 106 L N 0.176 121.485 121.223 0.144 0.000 2.027 106 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 106 L C 2.881 179.684 176.870 -0.111 0.000 1.074 106 L CA 1.010 55.909 54.840 0.098 0.000 0.745 106 L CB -0.584 41.604 42.059 0.216 0.000 0.898 106 L HN 0.214 nan 8.230 nan 0.000 0.433 107 A N -0.258 122.306 122.820 -0.426 0.000 2.070 107 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 107 A C 2.117 179.289 177.584 -0.687 0.000 1.159 107 A CA 2.039 53.572 52.037 -0.840 0.000 0.656 107 A CB -0.664 17.365 19.000 -1.619 0.000 0.800 107 A HN 0.545 nan 8.150 nan 0.000 0.453 108 T N -6.770 107.489 114.554 -0.491 0.000 3.044 108 T HA 0.300 4.649 4.350 -0.000 0.000 0.260 108 T C 0.392 174.866 174.700 -0.377 0.000 1.019 108 T CA 0.395 62.224 62.100 -0.453 0.000 0.921 108 T CB -0.638 68.252 68.868 0.035 0.000 1.053 108 T HN 0.727 nan 8.240 nan 0.000 0.533 109 Y N 0.943 121.231 120.300 -0.020 0.000 4.644 109 Y HA -0.269 4.281 4.550 -0.000 0.000 0.241 109 Y C 1.048 176.915 175.900 -0.056 0.000 1.077 109 Y CA 0.455 58.542 58.100 -0.022 0.000 2.080 109 Y CB -2.853 35.603 38.460 -0.005 0.000 1.613 109 Y HN 0.572 nan 8.280 nan 0.000 0.686 110 T N -3.842 110.718 114.554 0.009 0.000 3.266 110 T HA 0.686 5.036 4.350 -0.000 0.000 0.278 110 T C 1.204 175.882 174.700 -0.037 0.000 1.010 110 T CA 0.138 62.161 62.100 -0.129 0.000 0.909 110 T CB 0.866 69.409 68.868 -0.542 0.000 1.122 110 T HN 0.451 nan 8.240 nan 0.000 0.536 111 A N 1.217 124.071 122.820 0.056 0.000 2.119 111 A HA 0.586 4.906 4.320 -0.000 0.000 0.217 111 A C 1.828 179.474 177.584 0.103 0.000 1.153 111 A CA 0.547 52.596 52.037 0.020 0.000 0.692 111 A CB -0.748 18.258 19.000 0.010 0.000 0.799 111 A HN 1.545 nan 8.150 nan 0.000 0.458 112 G N -2.910 106.027 108.800 0.229 0.000 2.338 112 G HA2 0.405 4.365 3.960 -0.000 0.000 0.115 112 G HA3 0.405 4.365 3.960 -0.000 0.000 0.115 112 G C 1.001 176.251 174.900 0.583 0.000 1.053 112 G CA 0.367 45.713 45.100 0.409 0.000 0.733 112 G HN 1.959 nan 8.290 nan 0.000 0.482 113 G N -1.056 108.105 108.800 0.601 0.000 2.134 113 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.209 113 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.209 113 G C 0.572 175.740 174.900 0.446 0.000 0.993 113 G CA 0.075 45.484 45.100 0.514 0.000 0.669 113 G HN 1.352 nan 8.290 nan 0.000 0.519 114 L N 2.282 123.627 121.223 0.204 0.000 2.559 114 L HA 0.189 4.529 4.340 -0.000 0.000 0.282 114 L C -0.689 176.248 176.870 0.111 0.000 1.232 114 L CA -0.928 53.810 54.840 -0.170 0.000 0.885 114 L CB 0.315 42.207 42.059 -0.277 0.000 1.131 114 L HN 0.114 nan 8.230 nan 0.000 0.498 115 P HA -0.070 nan 4.420 nan 0.000 0.269 115 P C 0.549 177.936 177.300 0.146 0.000 1.215 115 P CA -0.419 62.797 63.100 0.195 0.000 0.780 115 P CB 0.994 32.845 31.700 0.253 0.000 0.898 116 L N 1.149 122.445 121.223 0.122 0.000 2.013 116 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 116 L C 0.951 177.868 176.870 0.080 0.000 1.073 116 L CA 2.043 56.940 54.840 0.095 0.000 0.753 116 L CB -0.566 41.553 42.059 0.099 0.000 0.890 116 L HN 0.378 nan 8.230 nan 0.000 0.432 117 Q N -0.694 119.147 119.800 0.069 0.000 2.348 117 Q HA 0.408 4.748 4.340 -0.000 0.000 0.271 117 Q C -0.927 175.063 176.000 -0.016 0.000 1.067 117 Q CA -0.807 55.017 55.803 0.034 0.000 0.839 117 Q CB 2.061 30.802 28.738 0.005 0.000 1.354 117 Q HN -0.069 nan 8.270 nan 0.000 0.447 118 V N 3.216 123.089 119.914 -0.068 0.000 2.498 118 V HA 0.197 4.317 4.120 -0.000 0.000 0.279 118 V C -2.020 173.897 176.094 -0.296 0.000 1.048 118 V CA -1.440 60.674 62.300 -0.309 0.000 0.967 118 V CB 1.007 32.706 31.823 -0.207 0.000 0.988 118 V HN 0.594 nan 8.190 nan 0.000 0.473 119 P HA 0.030 nan 4.420 nan 0.000 0.264 119 P C 0.323 177.529 177.300 -0.157 0.000 1.183 119 P CA 0.164 63.117 63.100 -0.246 0.000 0.763 119 P CB 0.479 32.019 31.700 -0.267 0.000 0.807 120 D N 1.695 122.047 120.400 -0.080 0.000 2.203 120 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 120 D C 1.331 177.606 176.300 -0.041 0.000 0.997 120 D CA 1.484 55.460 54.000 -0.041 0.000 0.863 120 D CB -0.005 40.783 40.800 -0.019 0.000 0.928 120 D HN 0.499 nan 8.370 nan 0.000 0.458 121 E N -0.512 119.656 120.200 -0.052 0.000 2.274 121 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 121 E C 0.191 176.766 176.600 -0.042 0.000 0.996 121 E CA 0.120 56.499 56.400 -0.035 0.000 0.840 121 E CB 0.230 29.915 29.700 -0.025 0.000 0.772 121 E HN 0.067 nan 8.360 nan 0.000 0.491 122 V N 2.390 122.251 119.914 -0.088 0.000 2.446 122 V HA -0.014 4.106 4.120 -0.000 0.000 0.276 122 V C 0.894 176.965 176.094 -0.040 0.000 1.030 122 V CA 0.327 62.579 62.300 -0.079 0.000 1.033 122 V CB 0.841 32.547 31.823 -0.194 0.000 0.993 122 V HN 0.130 nan 8.190 nan 0.000 0.477 123 K N 2.617 123.014 120.400 -0.005 0.000 2.386 123 K HA 0.239 4.559 4.320 -0.000 0.000 0.237 123 K C 1.166 177.777 176.600 0.018 0.000 1.122 123 K CA 0.545 56.835 56.287 0.005 0.000 0.838 123 K CB -0.503 32.003 32.500 0.011 0.000 1.364 123 K HN 0.674 nan 8.250 nan 0.000 0.440 124 S N 0.882 116.599 115.700 0.030 0.000 2.587 124 S HA 0.063 4.532 4.470 -0.000 0.000 0.260 124 S C 1.337 175.977 174.600 0.067 0.000 1.353 124 S CA -0.089 58.135 58.200 0.040 0.000 0.995 124 S CB 0.969 64.195 63.200 0.043 0.000 0.912 124 S HN 0.181 nan 8.310 nan 0.000 0.568 125 S N 1.302 117.044 115.700 0.070 0.000 2.368 125 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 125 S C 2.316 177.022 174.600 0.178 0.000 1.030 125 S CA 1.367 59.631 58.200 0.108 0.000 0.999 125 S CB -0.798 62.447 63.200 0.076 0.000 0.844 125 S HN 0.926 nan 8.310 nan 0.000 0.459 126 S N 1.732 117.513 115.700 0.134 0.000 2.402 126 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 126 S C 1.308 175.993 174.600 0.141 0.000 1.021 126 S CA 1.087 59.369 58.200 0.136 0.000 0.974 126 S CB -0.468 62.787 63.200 0.091 0.000 0.800 126 S HN 0.302 nan 8.310 nan 0.000 0.484 127 D N 1.538 122.011 120.400 0.122 0.000 2.097 127 D HA -0.002 4.638 4.640 -0.000 0.000 0.195 127 D C 1.859 178.264 176.300 0.176 0.000 0.989 127 D CA 0.726 54.794 54.000 0.113 0.000 0.827 127 D CB -0.541 40.299 40.800 0.068 0.000 0.966 127 D HN 0.270 nan 8.370 nan 0.000 0.456 128 L N 0.576 121.934 121.223 0.225 0.000 1.989 128 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 128 L C 2.218 179.414 176.870 0.544 0.000 1.071 128 L CA 1.297 56.360 54.840 0.371 0.000 0.749 128 L CB -0.859 41.436 42.059 0.393 0.000 0.890 128 L HN 0.072 nan 8.230 nan 0.000 0.431 129 L N -0.518 121.015 121.223 0.515 0.000 2.131 129 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 129 L C 2.675 179.612 176.870 0.113 0.000 1.092 129 L CA 1.850 56.838 54.840 0.247 0.000 0.759 129 L CB -0.656 41.516 42.059 0.189 0.000 0.903 129 L HN 0.330 nan 8.230 nan 0.000 0.435 130 R N -1.339 119.258 120.500 0.161 0.000 2.066 130 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 130 R C 2.328 178.728 176.300 0.166 0.000 1.131 130 R CA 1.675 57.851 56.100 0.125 0.000 0.955 130 R CB -0.637 29.735 30.300 0.118 0.000 0.851 130 R HN 0.424 nan 8.270 nan 0.000 0.432 131 F N 0.955 120.923 119.950 0.031 0.000 2.027 131 F HA -0.292 4.234 4.527 -0.000 0.000 0.297 131 F C 1.609 177.435 175.800 0.043 0.000 1.129 131 F CA 1.705 59.686 58.000 -0.031 0.000 1.195 131 F CB -0.982 37.905 39.000 -0.190 0.000 0.960 131 F HN 0.028 nan 8.300 nan 0.000 0.485 132 Y N 0.581 120.824 120.300 -0.094 0.000 2.256 132 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 132 Y C 2.637 178.664 175.900 0.211 0.000 1.155 132 Y CA 1.656 59.724 58.100 -0.054 0.000 1.203 132 Y CB -0.989 37.403 38.460 -0.114 0.000 0.980 132 Y HN 0.236 nan 8.280 nan 0.000 0.530 133 Q N -0.247 119.657 119.800 0.173 0.000 2.230 133 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 133 Q C 1.361 177.470 176.000 0.182 0.000 0.963 133 Q CA 1.102 57.000 55.803 0.158 0.000 0.866 133 Q CB -0.389 28.360 28.738 0.018 0.000 0.931 133 Q HN 0.673 nan 8.270 nan 0.000 0.452 134 N N -0.857 117.924 118.700 0.136 0.000 2.392 134 N HA -0.047 4.693 4.740 -0.000 0.000 0.177 134 N C -0.000 175.557 175.510 0.078 0.000 1.066 134 N CA -0.389 52.714 53.050 0.088 0.000 0.895 134 N CB 0.232 38.768 38.487 0.082 0.000 0.988 134 N HN 0.140 nan 8.380 nan 0.000 0.457 135 W N 2.983 124.215 121.300 -0.114 0.000 2.223 135 W HA 0.037 4.697 4.660 -0.000 0.000 0.334 135 W C -0.558 175.860 176.519 -0.168 0.000 1.334 135 W CA 0.150 57.386 57.345 -0.183 0.000 1.246 135 W CB 0.544 29.843 29.460 -0.268 0.000 1.184 135 W HN -0.066 nan 8.180 nan 0.000 0.563 136 Q N 7.211 126.415 119.800 -0.993 0.000 2.330 136 Q HA 0.312 4.652 4.340 -0.000 0.000 0.269 136 Q C -2.149 172.903 176.000 -1.581 0.000 1.022 136 Q CA -2.146 53.008 55.803 -1.081 0.000 0.796 136 Q CB 1.367 29.778 28.738 -0.544 0.000 1.271 136 Q HN 0.329 nan 8.270 nan 0.000 0.450 137 P HA -0.000 nan 4.420 nan 0.000 0.265 137 P C -0.054 176.839 177.300 -0.678 0.000 1.187 137 P CA 0.300 62.714 63.100 -1.143 0.000 0.766 137 P CB 0.748 31.994 31.700 -0.758 0.000 0.820 138 A N 2.870 125.314 122.820 -0.626 0.000 2.030 138 A HA 0.096 4.416 4.320 -0.000 0.000 0.215 138 A C 0.204 177.108 177.584 -1.133 0.000 1.164 138 A CA 0.816 52.238 52.037 -1.024 0.000 0.697 138 A CB -0.130 17.880 19.000 -1.650 0.000 0.827 138 A HN 0.544 nan 8.150 nan 0.000 0.457 139 W N -2.921 118.328 121.300 -0.085 0.000 3.018 139 W HA 0.639 5.299 4.660 -0.000 0.000 0.352 139 W C -0.085 176.376 176.519 -0.096 0.000 1.230 139 W CA -1.132 56.167 57.345 -0.077 0.000 1.162 139 W CB 0.910 30.340 29.460 -0.049 0.000 1.483 139 W HN 0.114 nan 8.180 nan 0.000 0.584 140 A N 3.045 125.965 122.820 0.166 0.000 2.332 140 A HA 0.562 4.881 4.320 -0.000 0.000 0.258 140 A C -2.023 175.575 177.584 0.024 0.000 1.087 140 A CA -0.961 51.104 52.037 0.047 0.000 0.802 140 A CB -0.618 18.407 19.000 0.040 0.000 1.042 140 A HN 0.155 nan 8.150 nan 0.000 0.489 141 P HA 0.197 nan 4.420 nan 0.000 0.269 141 P C 0.703 177.906 177.300 -0.161 0.000 1.209 141 P CA 1.391 64.337 63.100 -0.256 0.000 0.776 141 P CB 0.589 32.005 31.700 -0.474 0.000 0.876 142 G N 1.605 110.292 108.800 -0.189 0.000 2.198 142 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 142 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 142 G C 0.582 175.410 174.900 -0.119 0.000 1.025 142 G CA 0.771 45.871 45.100 0.000 0.000 0.769 142 G HN 0.785 nan 8.290 nan 0.000 0.507 143 T N -5.270 109.174 114.554 -0.182 0.000 3.010 143 T HA 0.434 4.784 4.350 -0.000 0.000 0.252 143 T C 0.535 175.066 174.700 -0.282 0.000 0.963 143 T CA 0.726 62.734 62.100 -0.153 0.000 0.952 143 T CB 0.685 69.510 68.868 -0.070 0.000 1.182 143 T HN 0.292 nan 8.240 nan 0.000 0.495 144 Q N 0.818 120.407 119.800 -0.353 0.000 2.397 144 Q HA 0.505 4.844 4.340 -0.000 0.000 0.275 144 Q C -1.376 174.416 176.000 -0.347 0.000 1.090 144 Q CA -0.574 54.940 55.803 -0.482 0.000 0.809 144 Q CB 3.186 31.323 28.738 -1.001 0.000 1.362 144 Q HN 0.349 nan 8.270 nan 0.000 0.431 145 R N 2.017 122.348 120.500 -0.281 0.000 2.295 145 R HA 0.539 4.879 4.340 -0.000 0.000 0.324 145 R C -1.357 174.923 176.300 -0.033 0.000 0.968 145 R CA -0.639 55.391 56.100 -0.118 0.000 0.837 145 R CB 0.605 30.866 30.300 -0.065 0.000 1.133 145 R HN 0.454 nan 8.270 nan 0.000 0.450 146 L N 5.955 127.225 121.223 0.079 0.000 2.415 146 L HA 0.271 4.611 4.340 -0.000 0.000 0.268 146 L C -1.394 175.507 176.870 0.052 0.000 0.984 146 L CA -0.730 54.178 54.840 0.112 0.000 0.853 146 L CB 0.998 43.206 42.059 0.248 0.000 1.215 146 L HN 0.598 nan 8.230 nan 0.000 0.419 147 Y N 4.922 125.086 120.300 -0.227 0.000 2.802 147 Y HA 0.377 4.927 4.550 -0.000 0.000 0.333 147 Y C -0.013 175.662 175.900 -0.375 0.000 1.244 147 Y CA 0.898 58.611 58.100 -0.645 0.000 1.558 147 Y CB 0.289 38.473 38.460 -0.459 0.000 1.233 147 Y HN 0.806 nan 8.280 nan 0.000 0.547 148 A N 5.682 128.061 122.820 -0.735 0.000 2.488 148 A HA 0.315 4.635 4.320 -0.000 0.000 0.295 148 A C 0.021 177.535 177.584 -0.117 0.000 1.045 148 A CA -0.928 50.973 52.037 -0.227 0.000 0.703 148 A CB 0.906 19.923 19.000 0.028 0.000 1.271 148 A HN 0.770 nan 8.150 nan 0.000 0.400 149 N N 1.127 119.805 118.700 -0.037 0.000 2.166 149 N HA -0.154 4.585 4.740 -0.000 0.000 0.186 149 N C 2.037 177.634 175.510 0.145 0.000 1.019 149 N CA 1.987 55.082 53.050 0.076 0.000 0.856 149 N CB -0.140 38.433 38.487 0.143 0.000 0.993 149 N HN 0.830 nan 8.380 nan 0.000 0.426 150 S N -0.941 114.866 115.700 0.179 0.000 2.447 150 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 150 S C 2.070 176.855 174.600 0.308 0.000 1.006 150 S CA 1.070 59.456 58.200 0.309 0.000 0.957 150 S CB -0.124 63.294 63.200 0.363 0.000 0.773 150 S HN 0.211 nan 8.310 nan 0.000 0.507 151 S N 1.356 117.185 115.700 0.216 0.000 2.315 151 S HA 0.202 4.672 4.470 -0.000 0.000 0.211 151 S C 1.703 176.410 174.600 0.179 0.000 1.029 151 S CA 0.571 58.889 58.200 0.196 0.000 0.956 151 S CB -0.610 62.725 63.200 0.226 0.000 0.918 151 S HN 0.556 nan 8.310 nan 0.000 0.470 152 I N 1.300 121.982 120.570 0.187 0.000 2.361 152 I HA -0.040 4.130 4.170 -0.000 0.000 0.251 152 I C 2.122 178.335 176.117 0.160 0.000 1.133 152 I CA 1.397 62.791 61.300 0.157 0.000 1.413 152 I CB -0.590 37.495 38.000 0.142 0.000 1.073 152 I HN 0.470 nan 8.210 nan 0.000 0.424 153 G N 0.784 109.648 108.800 0.107 0.000 2.418 153 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 153 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 153 G C 1.528 176.398 174.900 -0.050 0.000 1.158 153 G CA 0.850 45.950 45.100 -0.000 0.000 0.771 153 G HN 0.384 nan 8.290 nan 0.000 0.545 154 L N -0.225 121.018 121.223 0.032 0.000 2.109 154 L HA 0.186 4.526 4.340 -0.000 0.000 0.207 154 L C 2.384 179.214 176.870 -0.068 0.000 1.086 154 L CA 1.252 56.046 54.840 -0.077 0.000 0.760 154 L CB -0.806 41.147 42.059 -0.177 0.000 0.910 154 L HN 0.226 nan 8.230 nan 0.000 0.437 155 F N 0.562 120.462 119.950 -0.083 0.000 2.069 155 F HA -0.101 4.425 4.527 -0.000 0.000 0.298 155 F C 2.226 177.978 175.800 -0.080 0.000 1.113 155 F CA 1.812 59.769 58.000 -0.072 0.000 1.214 155 F CB -1.112 37.854 39.000 -0.057 0.000 0.978 155 F HN 0.122 nan 8.300 nan 0.000 0.474 156 G N -0.253 108.395 108.800 -0.254 0.000 2.469 156 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.219 156 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.219 156 G C 1.814 176.543 174.900 -0.285 0.000 1.150 156 G CA 1.181 46.111 45.100 -0.283 0.000 0.763 156 G HN 0.691 nan 8.290 nan 0.000 0.561 157 A N 0.378 122.988 122.820 -0.350 0.000 1.898 157 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 157 A C 2.425 179.838 177.584 -0.286 0.000 1.181 157 A CA 1.201 53.056 52.037 -0.303 0.000 0.620 157 A CB -0.336 18.453 19.000 -0.352 0.000 0.819 157 A HN 0.351 nan 8.150 nan 0.000 0.442 158 L N -0.833 120.197 121.223 -0.322 0.000 2.217 158 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 158 L C 2.995 179.613 176.870 -0.419 0.000 1.107 158 L CA 0.716 55.378 54.840 -0.297 0.000 0.783 158 L CB -0.568 41.390 42.059 -0.168 0.000 0.919 158 L HN 0.426 nan 8.230 nan 0.000 0.442 159 A N 0.535 123.032 122.820 -0.537 0.000 1.940 159 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 159 A C 2.170 179.527 177.584 -0.379 0.000 1.176 159 A CA 1.954 53.638 52.037 -0.589 0.000 0.631 159 A CB -0.796 17.708 19.000 -0.826 0.000 0.814 159 A HN 0.336 nan 8.150 nan 0.000 0.446 160 V N -3.540 116.219 119.914 -0.259 0.000 3.573 160 V HA 0.009 4.129 4.120 -0.000 0.000 0.270 160 V C 1.735 177.734 176.094 -0.158 0.000 1.221 160 V CA 1.116 63.305 62.300 -0.185 0.000 1.163 160 V CB -0.604 31.143 31.823 -0.125 0.000 0.847 160 V HN 0.225 nan 8.190 nan 0.000 0.468 161 K N 1.555 121.849 120.400 -0.177 0.000 2.020 161 K HA -0.082 4.238 4.320 -0.000 0.000 0.212 161 K C 0.314 176.884 176.600 -0.050 0.000 1.050 161 K CA 2.122 58.349 56.287 -0.100 0.000 0.929 161 K CB -1.961 30.512 32.500 -0.045 0.000 0.714 161 K HN 0.458 nan 8.250 nan 0.000 0.443 162 P HA -0.116 nan 4.420 nan 0.000 0.216 162 P C 1.441 178.724 177.300 -0.029 0.000 1.150 162 P CA 1.696 64.795 63.100 -0.002 0.000 0.837 162 P CB -0.094 31.610 31.700 0.007 0.000 0.786 163 S N -1.495 114.167 115.700 -0.063 0.000 2.474 163 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 163 S C 1.890 176.457 174.600 -0.056 0.000 0.997 163 S CA 1.019 59.181 58.200 -0.064 0.000 0.949 163 S CB -1.597 61.547 63.200 -0.093 0.000 0.766 163 S HN 0.308 nan 8.310 nan 0.000 0.517 164 G N 0.630 109.398 108.800 -0.053 0.000 2.189 164 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 164 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 164 G C 0.019 174.885 174.900 -0.056 0.000 0.975 164 G CA 0.654 45.727 45.100 -0.045 0.000 0.644 164 G HN 0.583 nan 8.290 nan 0.000 0.537 165 L N 1.333 122.512 121.223 -0.073 0.000 2.421 165 L HA 0.573 4.913 4.340 -0.000 0.000 0.263 165 L C 1.474 178.296 176.870 -0.080 0.000 1.122 165 L CA -0.181 54.610 54.840 -0.082 0.000 0.804 165 L CB 1.258 43.251 42.059 -0.111 0.000 1.150 165 L HN 0.386 nan 8.230 nan 0.000 0.457 166 S N 0.179 115.837 115.700 -0.070 0.000 2.603 166 S HA 0.107 4.576 4.470 -0.000 0.000 0.268 166 S C 0.842 175.416 174.600 -0.043 0.000 1.317 166 S CA -0.465 57.709 58.200 -0.043 0.000 1.012 166 S CB 0.619 63.801 63.200 -0.029 0.000 0.926 166 S HN 0.530 nan 8.310 nan 0.000 0.539 167 F N 1.464 121.325 119.950 -0.148 0.000 2.065 167 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 167 F C 2.559 178.254 175.800 -0.174 0.000 1.112 167 F CA 2.392 60.290 58.000 -0.171 0.000 1.212 167 F CB -0.554 38.343 39.000 -0.172 0.000 0.975 167 F HN 0.951 nan 8.300 nan 0.000 0.476 168 E N -0.539 119.644 120.200 -0.028 0.000 2.118 168 E HA -0.321 4.028 4.350 -0.000 0.000 0.195 168 E C 2.158 178.625 176.600 -0.221 0.000 0.992 168 E CA 1.445 57.771 56.400 -0.124 0.000 0.804 168 E CB -0.252 29.457 29.700 0.015 0.000 0.741 168 E HN 0.421 nan 8.360 nan 0.000 0.458 169 Q N 0.030 119.731 119.800 -0.166 0.000 2.172 169 Q HA 0.033 4.372 4.340 -0.000 0.000 0.200 169 Q C 1.755 177.609 176.000 -0.243 0.000 0.964 169 Q CA 1.502 57.207 55.803 -0.163 0.000 0.855 169 Q CB -0.259 28.420 28.738 -0.099 0.000 0.918 169 Q HN 0.388 nan 8.270 nan 0.000 0.444 170 A N -0.144 122.493 122.820 -0.305 0.000 1.873 170 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 170 A C 2.042 179.351 177.584 -0.459 0.000 1.186 170 A CA 1.701 53.536 52.037 -0.337 0.000 0.616 170 A CB -0.604 18.188 19.000 -0.346 0.000 0.823 170 A HN 0.459 nan 8.150 nan 0.000 0.442 171 M N 0.111 119.302 119.600 -0.682 0.000 2.080 171 M HA -0.237 4.243 4.480 -0.000 0.000 0.260 171 M C 2.292 178.025 176.300 -0.945 0.000 1.068 171 M CA 2.512 57.279 55.300 -0.889 0.000 1.109 171 M CB -0.654 31.275 32.600 -1.119 0.000 1.342 171 M HN 0.632 nan 8.290 nan 0.000 0.405 172 Q N -1.016 118.367 119.800 -0.695 0.000 2.030 172 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 172 Q C 1.599 177.427 176.000 -0.287 0.000 0.986 172 Q CA 2.794 58.329 55.803 -0.447 0.000 0.843 172 Q CB -0.447 28.150 28.738 -0.235 0.000 0.904 172 Q HN 0.696 nan 8.270 nan 0.000 0.420 173 T N -2.636 111.774 114.554 -0.241 0.000 3.067 173 T HA 0.117 4.467 4.350 -0.000 0.000 0.261 173 T C 1.575 176.188 174.700 -0.145 0.000 1.110 173 T CA 0.474 62.479 62.100 -0.159 0.000 1.113 173 T CB 0.044 68.835 68.868 -0.129 0.000 0.917 173 T HN 0.288 nan 8.240 nan 0.000 0.499 174 R N -0.038 120.346 120.500 -0.193 0.000 2.335 174 R HA 0.394 4.734 4.340 -0.000 0.000 0.210 174 R C 1.211 177.453 176.300 -0.097 0.000 0.892 174 R CA 0.149 56.166 56.100 -0.138 0.000 1.048 174 R CB 0.555 30.760 30.300 -0.157 0.000 1.067 174 R HN 0.301 nan 8.270 nan 0.000 0.524 175 V N -0.970 118.857 119.914 -0.145 0.000 3.449 175 V HA 0.041 4.161 4.120 -0.000 0.000 0.208 175 V C 1.460 177.638 176.094 0.141 0.000 1.269 175 V CA 0.266 62.562 62.300 -0.006 0.000 1.301 175 V CB -0.547 31.227 31.823 -0.082 0.000 1.306 175 V HN -0.066 nan 8.190 nan 0.000 0.531 176 F N 1.575 121.469 119.950 -0.093 0.000 2.065 176 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 176 F C 2.640 178.354 175.800 -0.143 0.000 1.112 176 F CA 1.822 59.724 58.000 -0.164 0.000 1.212 176 F CB -1.290 37.504 39.000 -0.343 0.000 0.975 176 F HN 0.225 nan 8.300 nan 0.000 0.476 177 Q N -0.200 119.623 119.800 0.038 0.000 1.993 177 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 177 Q C -0.275 175.725 176.000 -0.000 0.000 0.984 177 Q CA 1.949 57.738 55.803 -0.023 0.000 0.837 177 Q CB -1.534 27.167 28.738 -0.062 0.000 0.902 177 Q HN 0.238 nan 8.270 nan 0.000 0.423 178 P HA -0.165 nan 4.420 nan 0.000 0.218 178 P C 0.509 177.835 177.300 0.043 0.000 1.146 178 P CA 1.262 64.373 63.100 0.018 0.000 0.813 178 P CB 0.058 31.769 31.700 0.017 0.000 0.778 179 L N -2.522 118.753 121.223 0.086 0.000 2.607 179 L HA 0.208 4.547 4.340 -0.000 0.000 0.228 179 L C 0.312 177.226 176.870 0.073 0.000 1.123 179 L CA -0.135 54.770 54.840 0.108 0.000 0.890 179 L CB -0.439 41.752 42.059 0.220 0.000 1.103 179 L HN -0.154 nan 8.230 nan 0.000 0.468 180 K N 1.071 121.489 120.400 0.030 0.000 3.162 180 K HA -0.149 4.171 4.320 -0.000 0.000 0.268 180 K C -0.356 176.219 176.600 -0.041 0.000 1.062 180 K CA 0.436 56.713 56.287 -0.017 0.000 0.769 180 K CB -1.527 30.967 32.500 -0.009 0.000 1.274 180 K HN 0.246 nan 8.250 nan 0.000 0.478 181 L N 1.041 122.225 121.223 -0.064 0.000 2.466 181 L HA 0.157 4.497 4.340 -0.000 0.000 0.248 181 L C 0.840 177.517 176.870 -0.322 0.000 1.240 181 L CA -0.550 54.194 54.840 -0.159 0.000 1.180 181 L CB 0.185 42.114 42.059 -0.216 0.000 1.413 181 L HN 0.200 nan 8.230 nan 0.000 0.406 182 N N 0.219 118.736 118.700 -0.305 0.000 2.571 182 N HA -0.072 4.668 4.740 -0.000 0.000 0.189 182 N C 0.589 175.679 175.510 -0.700 0.000 1.154 182 N CA 0.755 53.519 53.050 -0.478 0.000 0.907 182 N CB 0.074 38.300 38.487 -0.435 0.000 0.977 182 N HN 0.495 nan 8.380 nan 0.000 0.449 183 H N -0.951 117.993 119.070 -0.210 0.000 2.651 183 H HA 0.270 4.826 4.556 -0.000 0.000 0.241 183 H C -0.344 174.844 175.328 -0.234 0.000 1.225 183 H CA -0.137 55.852 56.048 -0.098 0.000 0.942 183 H CB 0.371 30.114 29.762 -0.032 0.000 1.996 183 H HN -0.128 nan 8.280 nan 0.000 0.600 184 T N 0.666 114.875 114.554 -0.575 0.000 2.824 184 T HA 0.410 4.760 4.350 -0.000 0.000 0.282 184 T C -0.791 173.271 174.700 -1.063 0.000 0.993 184 T CA -0.460 61.143 62.100 -0.828 0.000 0.967 184 T CB 1.588 69.715 68.868 -1.236 0.000 0.960 184 T HN 0.223 nan 8.240 nan 0.000 0.441 185 W N 1.335 122.306 121.300 -0.548 0.000 3.213 185 W HA 0.527 5.186 4.660 -0.000 0.000 0.318 185 W C 0.526 176.923 176.519 -0.204 0.000 1.248 185 W CA -0.820 56.354 57.345 -0.285 0.000 1.187 185 W CB 1.021 30.336 29.460 -0.241 0.000 1.403 185 W HN 0.476 nan 8.180 nan 0.000 0.556 186 I N 1.143 121.844 120.570 0.218 0.000 2.494 186 I HA -0.021 4.148 4.170 -0.000 0.000 0.250 186 I C -0.040 176.100 176.117 0.039 0.000 1.112 186 I CA 0.829 62.188 61.300 0.097 0.000 1.438 186 I CB -0.090 37.983 38.000 0.122 0.000 1.111 186 I HN 0.335 nan 8.210 nan 0.000 0.431 187 N N 0.513 119.263 118.700 0.083 0.000 2.524 187 N HA 0.238 4.978 4.740 -0.000 0.000 0.261 187 N C -0.747 174.652 175.510 -0.185 0.000 0.998 187 N CA -0.186 52.840 53.050 -0.039 0.000 0.915 187 N CB 2.609 41.081 38.487 -0.025 0.000 1.187 187 N HN -0.129 nan 8.380 nan 0.000 0.507 188 V N 4.500 124.228 119.914 -0.310 0.000 2.485 188 V HA 0.257 4.377 4.120 -0.000 0.000 0.287 188 V C -1.800 173.969 176.094 -0.542 0.000 1.022 188 V CA -1.205 60.772 62.300 -0.539 0.000 1.067 188 V CB 0.207 31.680 31.823 -0.584 0.000 0.967 188 V HN 0.584 nan 8.190 nan 0.000 0.479 189 P HA 0.293 nan 4.420 nan 0.000 0.272 189 P C -2.399 174.694 177.300 -0.345 0.000 1.240 189 P CA -1.576 61.171 63.100 -0.589 0.000 0.791 189 P CB 0.265 31.482 31.700 -0.805 0.000 0.978 190 P HA -0.179 nan 4.420 nan 0.000 0.216 190 P C 1.455 178.687 177.300 -0.112 0.000 1.150 190 P CA 2.220 65.244 63.100 -0.127 0.000 0.843 190 P CB -0.475 31.171 31.700 -0.091 0.000 0.787 191 A N -0.476 122.266 122.820 -0.129 0.000 2.178 191 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 191 A C 1.935 179.476 177.584 -0.072 0.000 1.157 191 A CA 1.427 53.416 52.037 -0.081 0.000 0.689 191 A CB -0.697 18.266 19.000 -0.061 0.000 0.787 191 A HN 0.114 nan 8.150 nan 0.000 0.465 192 E N -0.665 119.456 120.200 -0.131 0.000 2.489 192 E HA 0.009 4.359 4.350 -0.000 0.000 0.204 192 E C 1.334 177.894 176.600 -0.067 0.000 1.006 192 E CA 0.111 56.451 56.400 -0.099 0.000 0.936 192 E CB -0.004 29.590 29.700 -0.177 0.000 1.002 192 E HN 0.748 nan 8.360 nan 0.000 0.488 193 E N 1.502 121.669 120.200 -0.055 0.000 2.097 193 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 193 E C 1.973 178.592 176.600 0.032 0.000 1.000 193 E CA 1.665 58.076 56.400 0.017 0.000 0.804 193 E CB -0.158 29.548 29.700 0.010 0.000 0.740 193 E HN 0.248 nan 8.360 nan 0.000 0.454 194 K N 0.427 120.837 120.400 0.016 0.000 2.209 194 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 194 K C 1.163 177.778 176.600 0.026 0.000 1.048 194 K CA 1.726 58.029 56.287 0.027 0.000 0.940 194 K CB -0.178 32.335 32.500 0.020 0.000 0.729 194 K HN 0.085 nan 8.250 nan 0.000 0.451 195 N N -0.395 118.314 118.700 0.015 0.000 2.353 195 N HA -0.030 4.710 4.740 -0.000 0.000 0.185 195 N C -0.639 174.890 175.510 0.031 0.000 1.098 195 N CA -0.295 52.759 53.050 0.006 0.000 0.872 195 N CB 0.180 38.652 38.487 -0.026 0.000 0.970 195 N HN 0.207 nan 8.380 nan 0.000 0.467 196 Y N 2.456 122.668 120.300 -0.147 0.000 2.613 196 Y HA 0.298 4.848 4.550 -0.000 0.000 0.354 196 Y C 0.406 176.176 175.900 -0.216 0.000 1.063 196 Y CA -1.391 56.575 58.100 -0.222 0.000 1.384 196 Y CB 0.042 38.319 38.460 -0.304 0.000 1.199 196 Y HN -0.002 nan 8.280 nan 0.000 0.517 197 A N 5.852 128.717 122.820 0.076 0.000 2.507 197 A HA -0.055 4.265 4.320 -0.000 0.000 0.235 197 A C -0.985 176.610 177.584 0.018 0.000 1.070 197 A CA 0.036 52.080 52.037 0.012 0.000 0.768 197 A CB 0.288 19.240 19.000 -0.081 0.000 1.011 197 A HN 0.931 nan 8.150 nan 0.000 0.502 198 W N 0.073 121.428 121.300 0.092 0.000 2.381 198 W HA 0.510 5.170 4.660 -0.000 0.000 0.329 198 W C 0.777 177.061 176.519 -0.391 0.000 1.157 198 W CA 0.329 57.543 57.345 -0.219 0.000 1.240 198 W CB 1.485 30.651 29.460 -0.490 0.000 1.199 198 W HN 0.943 nan 8.180 nan 0.000 0.579 199 G N 1.265 109.895 108.800 -0.284 0.000 2.437 199 G HA2 0.560 4.520 3.960 -0.000 0.000 0.319 199 G HA3 0.560 4.520 3.960 -0.000 0.000 0.319 199 G C -2.185 172.307 174.900 -0.680 0.000 1.158 199 G CA -0.458 44.151 45.100 -0.819 0.000 0.899 199 G HN 0.411 nan 8.290 nan 0.000 0.502 200 Y N -0.327 119.870 120.300 -0.171 0.000 2.361 200 Y HA 0.575 5.124 4.550 -0.000 0.000 0.337 200 Y C 0.389 176.274 175.900 -0.026 0.000 0.965 200 Y CA -0.838 57.227 58.100 -0.060 0.000 1.091 200 Y CB 2.429 40.863 38.460 -0.042 0.000 1.182 200 Y HN 0.491 nan 8.280 nan 0.000 0.450 201 R N 2.630 123.186 120.500 0.093 0.000 2.483 201 R HA 0.291 4.631 4.340 -0.000 0.000 0.303 201 R C -0.868 175.471 176.300 0.066 0.000 0.987 201 R CA -0.432 55.713 56.100 0.075 0.000 0.881 201 R CB 0.812 31.142 30.300 0.050 0.000 1.177 201 R HN 0.727 nan 8.270 nan 0.000 0.451 202 E N 2.636 122.874 120.200 0.064 0.000 2.297 202 E HA -0.222 4.128 4.350 -0.000 0.000 0.228 202 E C 0.599 177.228 176.600 0.047 0.000 1.213 202 E CA 1.462 57.889 56.400 0.044 0.000 0.712 202 E CB -1.493 28.224 29.700 0.029 0.000 1.202 202 E HN 1.172 nan 8.360 nan 0.000 0.376 203 G N -0.764 108.082 108.800 0.076 0.000 2.212 203 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.266 203 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.266 203 G C 0.274 175.249 174.900 0.124 0.000 0.978 203 G CA 1.043 46.193 45.100 0.082 0.000 0.632 203 G HN 0.348 nan 8.290 nan 0.000 0.537 204 K N 0.622 121.074 120.400 0.086 0.000 2.182 204 K HA 0.718 5.037 4.320 -0.000 0.000 0.262 204 K C 0.349 176.867 176.600 -0.137 0.000 0.957 204 K CA -0.141 56.142 56.287 -0.007 0.000 0.842 204 K CB 1.999 34.468 32.500 -0.052 0.000 1.099 204 K HN 0.460 nan 8.250 nan 0.000 0.438 205 A N 2.201 124.813 122.820 -0.348 0.000 2.450 205 A HA 0.432 4.752 4.320 -0.000 0.000 0.255 205 A C -0.025 177.334 177.584 -0.374 0.000 1.096 205 A CA -0.325 51.299 52.037 -0.687 0.000 0.778 205 A CB -0.080 18.292 19.000 -1.046 0.000 1.031 205 A HN 0.568 nan 8.150 nan 0.000 0.494 206 V N 0.675 120.522 119.914 -0.112 0.000 3.147 206 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 206 V C -0.815 175.427 176.094 0.247 0.000 1.209 206 V CA -0.830 61.520 62.300 0.084 0.000 1.023 206 V CB 1.306 33.159 31.823 0.049 0.000 1.059 206 V HN 0.994 nan 8.190 nan 0.000 0.435 207 H N 0.206 119.420 119.070 0.241 0.000 2.747 207 H HA 0.690 5.246 4.556 -0.000 0.000 0.371 207 H C -0.570 174.863 175.328 0.175 0.000 1.161 207 H CA -0.899 55.235 56.048 0.144 0.000 1.167 207 H CB 2.325 32.027 29.762 -0.099 0.000 1.732 207 H HN 0.834 nan 8.280 nan 0.000 0.544 208 V N 2.400 122.508 119.914 0.324 0.000 2.901 208 V HA -0.009 4.110 4.120 -0.000 0.000 0.307 208 V C -0.172 176.049 176.094 0.213 0.000 1.084 208 V CA 0.422 62.869 62.300 0.245 0.000 1.184 208 V CB 0.878 32.849 31.823 0.247 0.000 0.941 208 V HN 0.752 nan 8.190 nan 0.000 0.493 209 S N 6.899 122.708 115.700 0.182 0.000 2.616 209 S HA 0.535 5.005 4.470 -0.000 0.000 0.277 209 S C -2.300 172.400 174.600 0.166 0.000 1.234 209 S CA -0.735 57.555 58.200 0.151 0.000 1.028 209 S CB 1.231 64.499 63.200 0.113 0.000 0.988 209 S HN 0.838 nan 8.310 nan 0.000 0.522 210 P HA 0.468 nan 4.420 nan 0.000 0.269 210 P C -0.125 177.240 177.300 0.108 0.000 1.217 210 P CA -0.078 63.077 63.100 0.092 0.000 0.783 210 P CB 0.325 32.057 31.700 0.054 0.000 0.898 211 G N -0.980 107.870 108.800 0.082 0.000 2.519 211 G HA2 0.526 4.486 3.960 -0.000 0.000 0.292 211 G HA3 0.526 4.486 3.960 -0.000 0.000 0.292 211 G C -1.561 173.352 174.900 0.023 0.000 1.507 211 G CA -0.278 44.878 45.100 0.094 0.000 0.806 211 G HN 0.515 nan 8.290 nan 0.000 0.523 212 A N 0.414 123.240 122.820 0.009 0.000 2.462 212 A HA 0.609 4.929 4.320 -0.000 0.000 0.243 212 A C 1.470 179.027 177.584 -0.046 0.000 1.076 212 A CA 0.433 52.455 52.037 -0.024 0.000 0.773 212 A CB -0.260 18.728 19.000 -0.020 0.000 1.010 212 A HN 1.824 nan 8.150 nan 0.000 0.493 213 L N 0.289 121.447 121.223 -0.108 0.000 4.001 213 L HA -0.316 4.024 4.340 -0.000 0.000 0.413 213 L C 1.037 177.706 176.870 -0.335 0.000 1.185 213 L CA 0.706 55.434 54.840 -0.186 0.000 0.963 213 L CB -1.872 40.147 42.059 -0.067 0.000 1.976 213 L HN 1.004 nan 8.230 nan 0.000 0.939 214 D N 0.131 120.274 120.400 -0.428 0.000 2.117 214 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 214 D C 1.972 177.799 176.300 -0.787 0.000 0.982 214 D CA 1.333 54.738 54.000 -0.991 0.000 0.828 214 D CB -0.064 40.301 40.800 -0.725 0.000 0.967 214 D HN 0.433 nan 8.370 nan 0.000 0.464 215 A N 0.852 123.407 122.820 -0.441 0.000 1.883 215 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 215 A C 2.133 179.505 177.584 -0.353 0.000 1.186 215 A CA 1.896 53.770 52.037 -0.272 0.000 0.624 215 A CB -0.711 18.208 19.000 -0.135 0.000 0.822 215 A HN 0.180 nan 8.150 nan 0.000 0.444 216 E N -0.321 119.473 120.200 -0.678 0.000 2.106 216 E HA 0.037 4.387 4.350 -0.000 0.000 0.192 216 E C 1.921 178.369 176.600 -0.253 0.000 0.984 216 E CA 1.448 57.391 56.400 -0.763 0.000 0.806 216 E CB -0.245 28.982 29.700 -0.789 0.000 0.750 216 E HN 0.602 nan 8.360 nan 0.000 0.458 217 A N -0.745 121.949 122.820 -0.209 0.000 2.229 217 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 217 A C 0.492 178.189 177.584 0.188 0.000 1.193 217 A CA 0.333 52.388 52.037 0.029 0.000 0.879 217 A CB 0.063 19.147 19.000 0.140 0.000 0.911 217 A HN 0.404 nan 8.150 nan 0.000 0.492 218 Y N -4.655 115.667 120.300 0.037 0.000 3.070 218 Y HA 0.430 4.980 4.550 -0.000 0.000 0.254 218 Y C 0.860 176.781 175.900 0.035 0.000 1.070 218 Y CA -0.485 57.649 58.100 0.058 0.000 1.229 218 Y CB -0.501 38.000 38.460 0.069 0.000 1.264 218 Y HN -0.042 nan 8.280 nan 0.000 0.639 219 G N 0.680 109.418 108.800 -0.103 0.000 2.777 219 G HA2 0.233 4.193 3.960 -0.000 0.000 0.211 219 G HA3 0.233 4.193 3.960 -0.000 0.000 0.211 219 G C 0.091 174.970 174.900 -0.036 0.000 1.149 219 G CA 0.411 45.461 45.100 -0.085 0.000 0.785 219 G HN 0.147 nan 8.290 nan 0.000 0.536 220 V N 0.572 120.464 119.914 -0.036 0.000 2.583 220 V HA 0.420 4.540 4.120 -0.000 0.000 0.287 220 V C -0.308 175.680 176.094 -0.177 0.000 1.051 220 V CA -0.359 61.855 62.300 -0.144 0.000 1.010 220 V CB 1.369 33.014 31.823 -0.298 0.000 0.988 220 V HN 0.113 nan 8.190 nan 0.000 0.478 221 K N 2.504 122.753 120.400 -0.253 0.000 2.378 221 K HA 0.796 5.116 4.320 -0.000 0.000 0.252 221 K C -0.556 175.882 176.600 -0.270 0.000 0.931 221 K CA -0.192 55.927 56.287 -0.280 0.000 0.794 221 K CB 2.068 34.291 32.500 -0.462 0.000 1.181 221 K HN 0.730 nan 8.250 nan 0.000 0.425 222 S N 0.200 115.808 115.700 -0.154 0.000 2.615 222 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 222 S C -1.189 173.453 174.600 0.070 0.000 1.161 222 S CA -0.686 57.442 58.200 -0.120 0.000 0.817 222 S CB 0.910 63.985 63.200 -0.208 0.000 1.131 222 S HN 0.673 nan 8.310 nan 0.000 0.467 223 T N 0.235 114.837 114.554 0.080 0.000 2.927 223 T HA 0.514 4.863 4.350 -0.000 0.000 0.281 223 T C 1.293 176.098 174.700 0.174 0.000 0.998 223 T CA -0.520 61.679 62.100 0.165 0.000 1.019 223 T CB 0.773 69.687 68.868 0.077 0.000 1.061 223 T HN 0.450 nan 8.240 nan 0.000 0.518 224 I N 0.790 121.479 120.570 0.198 0.000 2.361 224 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 224 I C 2.323 178.590 176.117 0.249 0.000 1.133 224 I CA 1.487 62.914 61.300 0.212 0.000 1.413 224 I CB -0.638 37.507 38.000 0.242 0.000 1.073 224 I HN 0.808 nan 8.210 nan 0.000 0.424 225 E N -0.063 120.188 120.200 0.086 0.000 2.028 225 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 225 E C 1.766 178.476 176.600 0.183 0.000 0.988 225 E CA 1.437 57.897 56.400 0.100 0.000 0.799 225 E CB -0.236 29.408 29.700 -0.095 0.000 0.755 225 E HN 0.464 nan 8.360 nan 0.000 0.447 226 D N 0.281 120.757 120.400 0.128 0.000 2.149 226 D HA -0.138 4.501 4.640 -0.000 0.000 0.198 226 D C 1.795 178.213 176.300 0.197 0.000 0.990 226 D CA 0.942 55.012 54.000 0.116 0.000 0.839 226 D CB -0.030 40.779 40.800 0.014 0.000 0.948 226 D HN 0.068 nan 8.370 nan 0.000 0.460 227 M N 0.126 119.859 119.600 0.221 0.000 2.229 227 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 227 M C 2.159 178.642 176.300 0.305 0.000 1.063 227 M CA 0.573 56.059 55.300 0.309 0.000 1.114 227 M CB -0.980 31.781 32.600 0.268 0.000 1.387 227 M HN -0.019 nan 8.290 nan 0.000 0.420 228 A N 0.116 123.089 122.820 0.254 0.000 1.902 228 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 228 A C 2.355 180.010 177.584 0.118 0.000 1.181 228 A CA 1.400 53.539 52.037 0.170 0.000 0.623 228 A CB -0.530 18.585 19.000 0.191 0.000 0.818 228 A HN 0.436 nan 8.150 nan 0.000 0.443 229 R N -1.623 118.974 120.500 0.162 0.000 2.096 229 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 229 R C 2.175 178.573 176.300 0.163 0.000 1.127 229 R CA 1.367 57.541 56.100 0.123 0.000 0.968 229 R CB -0.402 29.980 30.300 0.137 0.000 0.861 229 R HN 0.870 nan 8.270 nan 0.000 0.440 230 W N 1.089 122.417 121.300 0.047 0.000 2.338 230 W HA -0.226 4.434 4.660 -0.000 0.000 0.304 230 W C 1.489 177.952 176.519 -0.093 0.000 1.212 230 W CA 1.242 58.611 57.345 0.040 0.000 1.264 230 W CB -0.034 29.517 29.460 0.152 0.000 1.142 230 W HN -0.104 nan 8.180 nan 0.000 0.512 231 V N 1.423 121.291 119.914 -0.076 0.000 2.295 231 V HA -0.342 3.778 4.120 -0.000 0.000 0.246 231 V C 2.398 178.153 176.094 -0.564 0.000 1.049 231 V CA 2.360 64.393 62.300 -0.446 0.000 1.024 231 V CB -1.031 30.644 31.823 -0.245 0.000 0.648 231 V HN 0.248 nan 8.190 nan 0.000 0.447 232 Q N -0.250 119.370 119.800 -0.301 0.000 2.170 232 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 232 Q C 2.430 178.247 176.000 -0.305 0.000 0.976 232 Q CA 1.864 57.503 55.803 -0.273 0.000 0.858 232 Q CB -0.279 28.372 28.738 -0.146 0.000 0.907 232 Q HN 0.586 nan 8.270 nan 0.000 0.433 233 S N 0.811 116.341 115.700 -0.284 0.000 2.383 233 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 233 S C 1.524 175.868 174.600 -0.428 0.000 1.026 233 S CA 0.798 58.837 58.200 -0.268 0.000 0.981 233 S CB -0.100 63.010 63.200 -0.149 0.000 0.818 233 S HN 0.381 nan 8.310 nan 0.000 0.472 234 N N 1.123 119.402 118.700 -0.702 0.000 2.376 234 N HA 0.145 4.885 4.740 -0.000 0.000 0.177 234 N C 1.626 176.676 175.510 -0.766 0.000 1.024 234 N CA 0.428 52.981 53.050 -0.827 0.000 0.893 234 N CB -0.133 37.612 38.487 -1.235 0.000 0.980 234 N HN 0.315 nan 8.380 nan 0.000 0.439 235 L N 0.893 121.625 121.223 -0.819 0.000 2.005 235 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 235 L C 0.427 177.120 176.870 -0.296 0.000 1.072 235 L CA 1.303 55.823 54.840 -0.534 0.000 0.744 235 L CB 0.041 41.825 42.059 -0.459 0.000 0.895 235 L HN -0.026 nan 8.230 nan 0.000 0.433 236 K N -0.038 120.200 120.400 -0.270 0.000 2.606 236 K HA 0.215 4.535 4.320 -0.000 0.000 0.196 236 K C -1.963 174.538 176.600 -0.164 0.000 1.048 236 K CA -1.342 54.836 56.287 -0.183 0.000 1.017 236 K CB 1.205 33.614 32.500 -0.151 0.000 1.413 236 K HN -0.025 nan 8.250 nan 0.000 0.568 237 P HA -0.139 nan 4.420 nan 0.000 0.225 237 P C 1.048 178.296 177.300 -0.086 0.000 1.148 237 P CA 0.819 63.843 63.100 -0.126 0.000 0.779 237 P CB 0.292 31.922 31.700 -0.117 0.000 0.780 238 L N -0.186 120.989 121.223 -0.081 0.000 2.201 238 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 238 L C 1.828 178.664 176.870 -0.056 0.000 1.105 238 L CA 1.216 56.020 54.840 -0.061 0.000 0.775 238 L CB -0.876 41.148 42.059 -0.059 0.000 0.913 238 L HN -0.071 nan 8.230 nan 0.000 0.440 239 D N 0.253 120.614 120.400 -0.065 0.000 2.371 239 D HA 0.061 4.701 4.640 -0.000 0.000 0.221 239 D C 0.834 177.108 176.300 -0.044 0.000 0.986 239 D CA 0.588 54.554 54.000 -0.055 0.000 0.899 239 D CB 0.101 40.862 40.800 -0.065 0.000 0.902 239 D HN 0.249 nan 8.370 nan 0.000 0.530 240 I N 2.585 123.129 120.570 -0.044 0.000 2.396 240 I HA -0.035 4.135 4.170 -0.000 0.000 0.289 240 I C 1.506 177.610 176.117 -0.022 0.000 1.056 240 I CA -0.503 60.780 61.300 -0.029 0.000 1.365 240 I CB 1.073 39.057 38.000 -0.027 0.000 1.407 240 I HN -0.122 nan 8.210 nan 0.000 0.509 241 N N 5.346 124.036 118.700 -0.016 0.000 2.120 241 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 241 N C 0.364 175.867 175.510 -0.012 0.000 1.024 241 N CA 0.959 54.000 53.050 -0.015 0.000 0.852 241 N CB -0.347 38.132 38.487 -0.013 0.000 1.003 241 N HN 0.484 nan 8.380 nan 0.000 0.424 242 E N 1.274 121.469 120.200 -0.008 0.000 2.292 242 E HA 0.074 4.424 4.350 -0.000 0.000 0.265 242 E C 0.903 177.498 176.600 -0.007 0.000 1.093 242 E CA -0.009 56.387 56.400 -0.008 0.000 0.922 242 E CB 0.785 30.482 29.700 -0.004 0.000 1.001 242 E HN 0.236 nan 8.360 nan 0.000 0.444 243 K N 1.590 121.985 120.400 -0.009 0.000 2.000 243 K HA -0.209 4.110 4.320 -0.000 0.000 0.218 243 K C 1.919 178.517 176.600 -0.004 0.000 1.053 243 K CA 2.159 58.441 56.287 -0.008 0.000 0.946 243 K CB -0.530 31.965 32.500 -0.008 0.000 0.723 243 K HN 0.617 nan 8.250 nan 0.000 0.446 244 T N 0.317 114.870 114.554 -0.003 0.000 2.962 244 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 244 T C 1.845 176.552 174.700 0.011 0.000 1.088 244 T CA 0.806 62.908 62.100 0.003 0.000 1.127 244 T CB -0.125 68.742 68.868 -0.002 0.000 0.883 244 T HN 0.065 nan 8.240 nan 0.000 0.493 245 L N 0.866 122.095 121.223 0.011 0.000 2.131 245 L HA 0.165 4.505 4.340 -0.000 0.000 0.206 245 L C 2.724 179.606 176.870 0.021 0.000 1.087 245 L CA 1.573 56.429 54.840 0.027 0.000 0.767 245 L CB -0.921 41.158 42.059 0.033 0.000 0.917 245 L HN 0.334 nan 8.230 nan 0.000 0.441 246 Q N -0.709 119.093 119.800 0.003 0.000 2.030 246 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 246 Q C 2.181 178.177 176.000 -0.007 0.000 0.986 246 Q CA 2.419 58.214 55.803 -0.013 0.000 0.843 246 Q CB -0.160 28.567 28.738 -0.019 0.000 0.904 246 Q HN 0.667 nan 8.270 nan 0.000 0.420 247 Q N -0.648 119.154 119.800 0.004 0.000 2.079 247 Q HA -0.100 4.239 4.340 -0.000 0.000 0.200 247 Q C 2.086 178.108 176.000 0.037 0.000 0.974 247 Q CA 1.210 57.021 55.803 0.014 0.000 0.840 247 Q CB -0.306 28.441 28.738 0.015 0.000 0.898 247 Q HN 0.592 nan 8.270 nan 0.000 0.430 248 G N 1.058 109.886 108.800 0.047 0.000 2.440 248 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 248 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 248 G C 1.399 176.358 174.900 0.098 0.000 1.154 248 G CA 0.736 45.884 45.100 0.079 0.000 0.767 248 G HN 0.245 nan 8.290 nan 0.000 0.552 249 I N 0.363 120.970 120.570 0.061 0.000 2.315 249 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 249 I C 2.935 179.074 176.117 0.038 0.000 1.117 249 I CA 0.922 62.246 61.300 0.041 0.000 1.404 249 I CB -0.205 37.761 38.000 -0.056 0.000 1.071 249 I HN 0.226 nan 8.210 nan 0.000 0.419 250 Q N 0.555 120.366 119.800 0.017 0.000 2.123 250 Q HA -0.096 4.244 4.340 -0.000 0.000 0.199 250 Q C 2.376 178.402 176.000 0.045 0.000 0.966 250 Q CA 1.193 56.999 55.803 0.005 0.000 0.845 250 Q CB -0.184 28.545 28.738 -0.015 0.000 0.907 250 Q HN 0.545 nan 8.270 nan 0.000 0.439 251 L N 0.299 121.574 121.223 0.086 0.000 2.201 251 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 251 L C 2.311 179.332 176.870 0.252 0.000 1.105 251 L CA 0.829 55.759 54.840 0.150 0.000 0.775 251 L CB -0.460 41.695 42.059 0.160 0.000 0.913 251 L HN 0.118 nan 8.230 nan 0.000 0.440 252 A N -0.990 121.974 122.820 0.241 0.000 2.119 252 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 252 A C 2.027 179.826 177.584 0.358 0.000 1.152 252 A CA 0.797 53.032 52.037 0.330 0.000 0.708 252 A CB -0.139 19.087 19.000 0.377 0.000 0.805 252 A HN 0.447 nan 8.150 nan 0.000 0.460 253 Q N 0.003 119.927 119.800 0.207 0.000 2.319 253 Q HA 0.185 4.525 4.340 -0.000 0.000 0.202 253 Q C -0.127 175.889 176.000 0.027 0.000 0.896 253 Q CA -0.307 55.562 55.803 0.109 0.000 0.942 253 Q CB 0.408 29.135 28.738 -0.019 0.000 1.083 253 Q HN 0.496 nan 8.270 nan 0.000 0.510 254 S N 0.919 116.616 115.700 -0.005 0.000 2.579 254 S HA 0.183 4.653 4.470 -0.000 0.000 0.275 254 S C 0.065 174.465 174.600 -0.332 0.000 1.345 254 S CA -0.036 58.001 58.200 -0.272 0.000 1.031 254 S CB 0.536 63.420 63.200 -0.526 0.000 0.892 254 S HN 0.216 nan 8.310 nan 0.000 0.529 255 R N 1.529 121.813 120.500 -0.361 0.000 2.204 255 R HA 0.250 4.590 4.340 -0.000 0.000 0.341 255 R C -0.320 175.832 176.300 -0.246 0.000 1.035 255 R CA -0.090 55.918 56.100 -0.153 0.000 0.887 255 R CB 0.300 30.496 30.300 -0.174 0.000 1.114 255 R HN 0.682 nan 8.270 nan 0.000 0.473 256 Y N 0.496 120.803 120.300 0.011 0.000 2.476 256 Y HA 0.138 4.688 4.550 -0.000 0.000 0.283 256 Y C 0.140 175.776 175.900 -0.440 0.000 1.109 256 Y CA 0.231 58.184 58.100 -0.245 0.000 1.246 256 Y CB 0.472 38.769 38.460 -0.272 0.000 1.068 256 Y HN 0.434 nan 8.280 nan 0.000 0.552 257 W N -0.389 121.075 121.300 0.273 0.000 3.083 257 W HA 0.556 5.216 4.660 0.000 0.000 0.333 257 W C -0.889 175.731 176.519 0.169 0.000 1.217 257 W CA -1.021 56.438 57.345 0.190 0.000 1.170 257 W CB 1.190 30.742 29.460 0.153 0.000 1.437 257 W HN -0.453 nan 8.180 nan 0.000 0.557 258 Q N 1.072 121.070 119.800 0.330 0.000 2.372 258 Q HA 0.705 5.044 4.340 -0.000 0.000 0.273 258 Q C -1.411 174.594 176.000 0.008 0.000 1.078 258 Q CA -0.534 55.269 55.803 0.000 0.000 0.806 258 Q CB 2.614 31.280 28.738 -0.120 0.000 1.332 258 Q HN 0.427 nan 8.270 nan 0.000 0.435 259 T N 2.357 116.850 114.554 -0.101 0.000 3.335 259 T HA 0.583 4.932 4.350 -0.000 0.000 0.321 259 T C 0.125 174.759 174.700 -0.111 0.000 0.960 259 T CA 0.724 62.787 62.100 -0.062 0.000 1.034 259 T CB 0.493 69.353 68.868 -0.013 0.000 1.040 259 T HN 1.154 nan 8.240 nan 0.000 0.454 260 G N 5.171 113.910 108.800 -0.102 0.000 2.566 260 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 260 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 260 G C 0.165 174.971 174.900 -0.157 0.000 1.225 260 G CA 0.692 45.731 45.100 -0.102 0.000 0.966 260 G HN 1.046 nan 8.290 nan 0.000 0.560 261 D N -0.034 120.291 120.400 -0.125 0.000 2.395 261 D HA 0.321 4.960 4.640 -0.000 0.000 0.226 261 D C 0.989 177.211 176.300 -0.129 0.000 1.146 261 D CA 0.222 54.148 54.000 -0.123 0.000 0.830 261 D CB 0.102 40.869 40.800 -0.055 0.000 0.958 261 D HN 0.591 nan 8.370 nan 0.000 0.501 262 M N 0.806 120.287 119.600 -0.198 0.000 2.436 262 M HA 0.434 4.914 4.480 -0.000 0.000 0.331 262 M C -1.898 174.264 176.300 -0.230 0.000 1.135 262 M CA -0.619 54.640 55.300 -0.069 0.000 0.987 262 M CB 1.917 34.553 32.600 0.060 0.000 1.687 262 M HN -0.158 nan 8.290 nan 0.000 0.445 263 Y N 1.683 122.086 120.300 0.172 0.000 2.409 263 Y HA 0.427 4.976 4.550 -0.000 0.000 0.343 263 Y C -0.349 175.704 175.900 0.254 0.000 0.973 263 Y CA -0.656 57.559 58.100 0.192 0.000 1.064 263 Y CB 1.674 40.215 38.460 0.134 0.000 1.207 263 Y HN 0.602 nan 8.280 nan 0.000 0.452 264 Q N 1.847 121.915 119.800 0.447 0.000 2.303 264 Q HA 0.588 4.928 4.340 -0.000 0.000 0.257 264 Q C -0.044 176.233 176.000 0.461 0.000 0.941 264 Q CA -0.235 55.830 55.803 0.437 0.000 0.931 264 Q CB 1.202 30.203 28.738 0.438 0.000 1.215 264 Q HN 0.898 nan 8.270 nan 0.000 0.437 265 G N 2.797 111.846 108.800 0.416 0.000 2.736 265 G HA2 0.471 4.431 3.960 -0.000 0.000 0.229 265 G HA3 0.471 4.431 3.960 -0.000 0.000 0.229 265 G C -0.890 174.171 174.900 0.268 0.000 1.380 265 G CA -0.839 44.527 45.100 0.444 0.000 1.040 265 G HN 0.602 nan 8.290 nan 0.000 0.568 266 L N 1.230 122.588 121.223 0.226 0.000 2.270 266 L HA 0.425 4.765 4.340 -0.000 0.000 0.286 266 L C 1.439 178.364 176.870 0.091 0.000 1.059 266 L CA 0.475 55.329 54.840 0.022 0.000 0.839 266 L CB 0.389 42.465 42.059 0.028 0.000 1.221 266 L HN 1.045 nan 8.230 nan 0.000 0.431 267 G N 2.328 111.148 108.800 0.033 0.000 4.039 267 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 267 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 267 G C 0.036 174.983 174.900 0.079 0.000 1.391 267 G CA -0.138 44.981 45.100 0.031 0.000 0.920 267 G HN 0.525 nan 8.290 nan 0.000 0.599 268 W N 2.293 123.729 121.300 0.227 0.000 2.158 268 W HA 0.569 5.229 4.660 -0.000 0.000 0.339 268 W C 0.859 177.529 176.519 0.252 0.000 1.294 268 W CA -0.117 57.358 57.345 0.218 0.000 1.231 268 W CB 0.412 29.965 29.460 0.154 0.000 1.143 268 W HN 0.322 nan 8.180 nan 0.000 0.571 269 E N 1.595 122.159 120.200 0.608 0.000 2.212 269 E HA 0.527 4.877 4.350 -0.000 0.000 0.268 269 E C -0.850 176.030 176.600 0.467 0.000 0.902 269 E CA -1.110 55.604 56.400 0.523 0.000 0.779 269 E CB 1.659 31.684 29.700 0.542 0.000 1.172 269 E HN 0.171 nan 8.360 nan 0.000 0.409 270 M N 2.102 121.926 119.600 0.373 0.000 2.518 270 M HA 0.490 4.969 4.480 -0.000 0.000 0.300 270 M C -1.556 174.950 176.300 0.344 0.000 1.175 270 M CA -0.416 55.045 55.300 0.268 0.000 0.890 270 M CB 1.726 34.425 32.600 0.165 0.000 1.710 270 M HN 0.279 nan 8.290 nan 0.000 0.453 271 L N 0.708 122.105 121.223 0.290 0.000 2.409 271 L HA 0.526 4.866 4.340 -0.000 0.000 0.262 271 L C -0.819 176.214 176.870 0.271 0.000 0.992 271 L CA -0.675 54.348 54.840 0.304 0.000 0.817 271 L CB 1.951 44.111 42.059 0.167 0.000 1.350 271 L HN 0.548 nan 8.230 nan 0.000 0.411 272 D N 1.134 121.682 120.400 0.246 0.000 2.443 272 D HA -0.033 4.607 4.640 -0.000 0.000 0.239 272 D C -0.880 175.555 176.300 0.225 0.000 1.136 272 D CA 0.294 54.404 54.000 0.183 0.000 0.879 272 D CB 1.076 41.954 40.800 0.129 0.000 1.195 272 D HN 0.357 nan 8.370 nan 0.000 0.443 273 W N 4.498 125.852 121.300 0.090 0.000 2.496 273 W HA 0.294 4.953 4.660 -0.000 0.000 0.327 273 W C -2.259 174.313 176.519 0.088 0.000 1.086 273 W CA -1.888 55.532 57.345 0.125 0.000 1.222 273 W CB 0.996 30.549 29.460 0.155 0.000 1.304 273 W HN 0.236 nan 8.180 nan 0.000 0.547 274 P HA 0.073 nan 4.420 nan 0.000 0.269 274 P C -0.860 176.060 177.300 -0.633 0.000 1.209 274 P CA -0.002 62.269 63.100 -1.383 0.000 0.776 274 P CB 1.983 33.177 31.700 -0.844 0.000 0.876 275 V N 2.133 121.685 119.914 -0.603 0.000 2.850 275 V HA 0.307 4.427 4.120 -0.000 0.000 0.315 275 V C 0.076 175.885 176.094 -0.475 0.000 1.064 275 V CA -0.906 61.188 62.300 -0.343 0.000 0.979 275 V CB 1.714 33.393 31.823 -0.240 0.000 1.039 275 V HN 0.695 nan 8.190 nan 0.000 0.452 276 N N 4.793 123.243 118.700 -0.416 0.000 2.408 276 N HA 0.372 5.112 4.740 -0.000 0.000 0.257 276 N C -1.861 173.257 175.510 -0.654 0.000 1.064 276 N CA -1.722 51.053 53.050 -0.459 0.000 0.952 276 N CB 1.587 39.898 38.487 -0.294 0.000 1.093 276 N HN 0.269 nan 8.380 nan 0.000 0.490 277 P HA -0.192 nan 4.420 nan 0.000 0.216 277 P C 0.448 177.367 177.300 -0.635 0.000 1.167 277 P CA 1.415 63.794 63.100 -1.202 0.000 0.914 277 P CB 0.247 31.181 31.700 -1.276 0.000 0.793 278 D N -1.061 119.078 120.400 -0.434 0.000 2.149 278 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 278 D C 2.095 178.255 176.300 -0.234 0.000 0.990 278 D CA 1.322 55.159 54.000 -0.271 0.000 0.839 278 D CB -0.835 39.844 40.800 -0.201 0.000 0.948 278 D HN 0.159 nan 8.370 nan 0.000 0.460 279 S N 0.577 116.122 115.700 -0.258 0.000 2.348 279 S HA -0.128 4.342 4.470 -0.000 0.000 0.221 279 S C 2.201 176.702 174.600 -0.166 0.000 1.033 279 S CA 1.289 59.373 58.200 -0.193 0.000 1.010 279 S CB -0.273 62.812 63.200 -0.192 0.000 0.891 279 S HN 0.416 nan 8.310 nan 0.000 0.442 280 I N -0.785 119.647 120.570 -0.230 0.000 2.353 280 I HA -0.033 4.137 4.170 -0.000 0.000 0.248 280 I C 2.105 178.180 176.117 -0.069 0.000 1.119 280 I CA 1.264 62.498 61.300 -0.111 0.000 1.417 280 I CB -0.626 37.249 38.000 -0.209 0.000 1.078 280 I HN 0.267 nan 8.210 nan 0.000 0.421 281 I N 2.462 122.937 120.570 -0.157 0.000 2.099 281 I HA -0.303 3.867 4.170 -0.000 0.000 0.239 281 I C 2.272 178.334 176.117 -0.092 0.000 1.066 281 I CA 2.403 63.632 61.300 -0.118 0.000 1.324 281 I CB -0.794 37.120 38.000 -0.143 0.000 1.037 281 I HN 0.324 nan 8.210 nan 0.000 0.401 282 N N 0.610 119.250 118.700 -0.099 0.000 2.188 282 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 282 N C 1.900 177.372 175.510 -0.063 0.000 1.018 282 N CA 1.122 54.125 53.050 -0.078 0.000 0.858 282 N CB -0.334 38.105 38.487 -0.081 0.000 0.989 282 N HN 0.399 nan 8.380 nan 0.000 0.426 283 G N 0.207 108.973 108.800 -0.057 0.000 2.498 283 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 283 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 283 G C 1.479 176.362 174.900 -0.029 0.000 1.119 283 G CA 1.018 46.098 45.100 -0.033 0.000 0.766 283 G HN 0.449 nan 8.290 nan 0.000 0.552 284 S N -0.540 115.139 115.700 -0.035 0.000 2.528 284 S HA 0.054 4.524 4.470 -0.000 0.000 0.219 284 S C 0.700 175.246 174.600 -0.090 0.000 0.985 284 S CA -0.134 58.030 58.200 -0.060 0.000 0.914 284 S CB 0.072 63.233 63.200 -0.065 0.000 0.776 284 S HN 0.264 nan 8.310 nan 0.000 0.526 285 D N 1.987 122.342 120.400 -0.076 0.000 2.455 285 D HA 0.090 4.730 4.640 -0.000 0.000 0.241 285 D C 0.579 176.834 176.300 -0.074 0.000 1.138 285 D CA 0.209 54.166 54.000 -0.071 0.000 0.877 285 D CB 0.435 41.202 40.800 -0.055 0.000 1.187 285 D HN 0.359 nan 8.370 nan 0.000 0.451 286 N N 2.526 121.183 118.700 -0.071 0.000 2.272 286 N HA -0.194 4.546 4.740 -0.000 0.000 0.185 286 N C 1.748 177.228 175.510 -0.049 0.000 1.014 286 N CA 0.510 53.518 53.050 -0.070 0.000 0.870 286 N CB 0.155 38.609 38.487 -0.055 0.000 0.975 286 N HN 0.473 nan 8.380 nan 0.000 0.433 287 K N 1.221 121.599 120.400 -0.038 0.000 2.113 287 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 287 K C 1.568 178.151 176.600 -0.028 0.000 1.047 287 K CA 1.248 57.520 56.287 -0.025 0.000 0.928 287 K CB 0.071 32.557 32.500 -0.024 0.000 0.716 287 K HN 0.223 nan 8.250 nan 0.000 0.446 288 I N -0.394 120.152 120.570 -0.041 0.000 2.947 288 I HA 0.005 4.175 4.170 -0.000 0.000 0.263 288 I C 2.343 178.429 176.117 -0.052 0.000 1.130 288 I CA 0.576 61.852 61.300 -0.041 0.000 1.448 288 I CB -0.246 37.729 38.000 -0.042 0.000 1.222 288 I HN 0.172 nan 8.210 nan 0.000 0.453 289 A N 1.263 124.034 122.820 -0.082 0.000 2.024 289 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 289 A C 2.134 179.626 177.584 -0.152 0.000 1.164 289 A CA 1.494 53.448 52.037 -0.137 0.000 0.643 289 A CB -0.657 18.217 19.000 -0.209 0.000 0.806 289 A HN 0.437 nan 8.150 nan 0.000 0.451 290 L N -1.302 119.865 121.223 -0.094 0.000 2.554 290 L HA 0.229 4.569 4.340 -0.000 0.000 0.225 290 L C 1.351 178.235 176.870 0.023 0.000 1.104 290 L CA -0.015 54.809 54.840 -0.028 0.000 0.866 290 L CB -0.398 41.655 42.059 -0.009 0.000 1.047 290 L HN 0.374 nan 8.230 nan 0.000 0.468 291 A N 0.816 123.640 122.820 0.007 0.000 2.351 291 A HA 0.602 4.922 4.320 -0.000 0.000 0.257 291 A C 0.493 178.086 177.584 0.016 0.000 1.087 291 A CA -0.073 51.978 52.037 0.024 0.000 0.798 291 A CB 0.343 19.346 19.000 0.004 0.000 1.033 291 A HN 0.204 nan 8.150 nan 0.000 0.488 292 A N 1.027 123.862 122.820 0.024 0.000 2.407 292 A HA 0.604 4.924 4.320 -0.000 0.000 0.248 292 A C 0.391 177.886 177.584 -0.149 0.000 1.082 292 A CA 0.074 52.061 52.037 -0.082 0.000 0.785 292 A CB 0.136 19.052 19.000 -0.141 0.000 1.020 292 A HN 0.783 nan 8.150 nan 0.000 0.489 293 R N 1.278 121.654 120.500 -0.206 0.000 2.584 293 R HA 0.494 4.834 4.340 -0.000 0.000 0.276 293 R C -2.998 173.169 176.300 -0.221 0.000 1.046 293 R CA -1.737 54.261 56.100 -0.170 0.000 0.906 293 R CB 2.266 32.512 30.300 -0.090 0.000 1.215 293 R HN 0.544 nan 8.270 nan 0.000 0.449 294 P HA 0.064 nan 4.420 nan 0.000 0.268 294 P C -0.676 176.556 177.300 -0.113 0.000 1.205 294 P CA -0.129 62.859 63.100 -0.185 0.000 0.771 294 P CB 0.904 32.524 31.700 -0.133 0.000 0.858 295 V N 0.281 120.132 119.914 -0.106 0.000 2.628 295 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 295 V C -0.109 176.086 176.094 0.168 0.000 1.045 295 V CA -1.128 61.180 62.300 0.013 0.000 0.905 295 V CB 1.996 33.748 31.823 -0.119 0.000 0.997 295 V HN 0.491 nan 8.190 nan 0.000 0.436 296 K N 3.013 123.569 120.400 0.260 0.000 2.235 296 K HA 0.787 5.107 4.320 -0.000 0.000 0.266 296 K C 0.036 176.878 176.600 0.402 0.000 0.980 296 K CA -0.355 56.093 56.287 0.268 0.000 0.849 296 K CB 1.651 34.237 32.500 0.143 0.000 1.098 296 K HN 1.177 nan 8.250 nan 0.000 0.445 297 A N 5.080 128.124 122.820 0.372 0.000 2.462 297 A HA 0.250 4.570 4.320 -0.000 0.000 0.243 297 A C -0.080 177.473 177.584 -0.051 0.000 1.076 297 A CA -0.170 51.871 52.037 0.008 0.000 0.773 297 A CB -0.098 18.867 19.000 -0.059 0.000 1.010 297 A HN 0.812 nan 8.150 nan 0.000 0.493 298 I N 2.792 123.252 120.570 -0.183 0.000 2.337 298 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 298 I C -0.299 175.728 176.117 -0.151 0.000 1.041 298 I CA 0.021 61.262 61.300 -0.099 0.000 1.199 298 I CB 1.201 39.168 38.000 -0.055 0.000 1.370 298 I HN 0.552 nan 8.210 nan 0.000 0.470 299 T N 6.296 120.794 114.554 -0.095 0.000 2.788 299 T HA 0.448 4.798 4.350 -0.000 0.000 0.296 299 T C -1.701 172.962 174.700 -0.061 0.000 1.009 299 T CA -0.991 61.058 62.100 -0.085 0.000 0.949 299 T CB 1.050 69.885 68.868 -0.056 0.000 0.946 299 T HN 0.432 nan 8.240 nan 0.000 0.453 300 P HA 0.510 nan 4.420 nan 0.000 0.284 300 P C -3.013 174.205 177.300 -0.137 0.000 1.292 300 P CA -2.096 60.950 63.100 -0.091 0.000 0.800 300 P CB -0.079 31.580 31.700 -0.067 0.000 1.188 301 P HA 0.057 nan 4.420 nan 0.000 0.266 301 P C -0.319 176.819 177.300 -0.270 0.000 1.195 301 P CA 0.554 63.459 63.100 -0.325 0.000 0.768 301 P CB -0.026 31.337 31.700 -0.563 0.000 0.838 302 T N 5.752 120.148 114.554 -0.265 0.000 2.761 302 T HA 0.247 4.597 4.350 -0.000 0.000 0.296 302 T C -2.101 172.459 174.700 -0.232 0.000 0.934 302 T CA -1.083 60.889 62.100 -0.213 0.000 1.091 302 T CB -0.027 68.713 68.868 -0.213 0.000 0.896 302 T HN 0.264 nan 8.240 nan 0.000 0.515 303 P HA 0.150 nan 4.420 nan 0.000 0.269 303 P C -0.505 176.711 177.300 -0.140 0.000 1.217 303 P CA -0.417 62.596 63.100 -0.147 0.000 0.783 303 P CB 0.327 31.965 31.700 -0.103 0.000 0.898 304 A N 2.113 124.865 122.820 -0.113 0.000 2.583 304 A HA 0.044 4.364 4.320 -0.000 0.000 0.249 304 A C 0.106 177.628 177.584 -0.103 0.000 1.035 304 A CA 0.332 52.309 52.037 -0.101 0.000 0.777 304 A CB -0.808 18.146 19.000 -0.077 0.000 0.942 304 A HN 0.358 nan 8.150 nan 0.000 0.516 305 V N 6.401 126.246 119.914 -0.114 0.000 2.364 305 V HA 0.146 4.265 4.120 -0.000 0.000 0.272 305 V C 1.526 177.573 176.094 -0.079 0.000 1.036 305 V CA -0.559 61.680 62.300 -0.100 0.000 0.880 305 V CB 0.954 32.702 31.823 -0.125 0.000 0.991 305 V HN 1.049 nan 8.190 nan 0.000 0.460 306 R N 3.784 124.247 120.500 -0.063 0.000 2.083 306 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 306 R C 1.322 177.596 176.300 -0.045 0.000 1.137 306 R CA 1.565 57.629 56.100 -0.060 0.000 0.951 306 R CB -0.266 30.003 30.300 -0.052 0.000 0.851 306 R HN 0.720 nan 8.270 nan 0.000 0.434 307 A N 2.003 124.825 122.820 0.003 0.000 3.063 307 A HA 0.262 4.582 4.320 -0.000 0.000 0.263 307 A C -0.469 177.202 177.584 0.145 0.000 1.736 307 A CA 0.043 52.133 52.037 0.088 0.000 1.408 307 A CB -0.016 19.070 19.000 0.144 0.000 1.108 307 A HN 0.092 nan 8.150 nan 0.000 0.621 308 S N 0.661 116.406 115.700 0.074 0.000 2.570 308 S HA 0.532 5.001 4.470 -0.000 0.000 0.286 308 S C -0.955 173.694 174.600 0.082 0.000 1.099 308 S CA -0.590 57.673 58.200 0.104 0.000 0.913 308 S CB 1.230 64.411 63.200 -0.032 0.000 1.085 308 S HN 0.696 nan 8.310 nan 0.000 0.480 309 W N 3.976 125.293 121.300 0.029 0.000 2.308 309 W HA 0.561 5.221 4.660 -0.000 0.000 0.311 309 W C -1.826 174.539 176.519 -0.257 0.000 1.088 309 W CA -0.525 56.791 57.345 -0.048 0.000 1.309 309 W CB 0.476 30.031 29.460 0.157 0.000 1.229 309 W HN 0.342 nan 8.180 nan 0.000 0.427 310 V N 7.599 127.029 119.914 -0.807 0.000 2.483 310 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 310 V C 0.021 175.693 176.094 -0.703 0.000 1.035 310 V CA -0.314 61.493 62.300 -0.821 0.000 0.896 310 V CB 1.356 32.179 31.823 -1.667 0.000 0.986 310 V HN 0.703 nan 8.190 nan 0.000 0.447 311 H N 2.380 121.392 119.070 -0.097 0.000 2.887 311 H HA 0.842 5.398 4.556 -0.000 0.000 0.290 311 H C -1.261 174.344 175.328 0.461 0.000 1.429 311 H CA -1.286 54.844 56.048 0.137 0.000 1.137 311 H CB 1.951 31.787 29.762 0.122 0.000 1.824 311 H HN 0.473 nan 8.280 nan 0.000 0.520 312 K N 1.162 121.676 120.400 0.189 0.000 2.584 312 K HA 0.237 4.557 4.320 -0.000 0.000 0.260 312 K C -1.431 175.288 176.600 0.197 0.000 0.949 312 K CA -0.001 56.357 56.287 0.118 0.000 0.888 312 K CB 2.005 34.572 32.500 0.113 0.000 1.330 312 K HN 0.907 nan 8.250 nan 0.000 0.432 313 T N 0.012 114.686 114.554 0.200 0.000 2.874 313 T HA 0.860 5.210 4.350 -0.000 0.000 0.281 313 T C 0.355 175.162 174.700 0.180 0.000 0.994 313 T CA -0.330 61.917 62.100 0.246 0.000 1.015 313 T CB 1.585 70.495 68.868 0.070 0.000 1.028 313 T HN 0.694 nan 8.240 nan 0.000 0.523 314 G N -0.911 107.991 108.800 0.170 0.000 2.733 314 G HA2 0.711 4.671 3.960 -0.000 0.000 0.297 314 G HA3 0.711 4.671 3.960 -0.000 0.000 0.297 314 G C -1.577 173.418 174.900 0.158 0.000 1.452 314 G CA -0.459 44.744 45.100 0.173 0.000 0.940 314 G HN 1.151 nan 8.290 nan 0.000 0.547 315 A N 0.472 123.383 122.820 0.152 0.000 2.604 315 A HA 0.988 5.308 4.320 -0.000 0.000 0.295 315 A C -0.071 177.604 177.584 0.151 0.000 1.067 315 A CA 0.174 52.309 52.037 0.163 0.000 0.683 315 A CB 1.574 20.634 19.000 0.099 0.000 1.281 315 A HN 2.019 nan 8.150 nan 0.000 0.407 316 T N -1.928 112.756 114.554 0.216 0.000 2.693 316 T HA 0.660 5.010 4.350 -0.000 0.000 0.278 316 T C 1.330 176.148 174.700 0.197 0.000 0.994 316 T CA 0.152 62.359 62.100 0.178 0.000 1.033 316 T CB 0.956 69.985 68.868 0.267 0.000 1.342 316 T HN 1.625 nan 8.240 nan 0.000 0.538 317 G N -0.151 108.752 108.800 0.171 0.000 2.440 317 G HA2 0.141 4.101 3.960 -0.000 0.000 0.218 317 G HA3 0.141 4.101 3.960 -0.000 0.000 0.218 317 G C 1.191 176.181 174.900 0.150 0.000 1.154 317 G CA 0.660 45.841 45.100 0.136 0.000 0.767 317 G HN 1.165 nan 8.290 nan 0.000 0.552 318 G N -1.225 107.698 108.800 0.205 0.000 3.277 318 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 318 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 318 G C -0.435 174.355 174.900 -0.183 0.000 1.107 318 G CA -0.485 44.624 45.100 0.014 0.000 0.771 318 G HN 0.197 nan 8.290 nan 0.000 0.544 319 F N -0.455 119.632 119.950 0.228 0.000 2.576 319 F HA 0.698 5.225 4.527 -0.000 0.000 0.313 319 F C 0.324 176.272 175.800 0.247 0.000 1.078 319 F CA -1.180 56.991 58.000 0.286 0.000 0.921 319 F CB 2.488 41.675 39.000 0.312 0.000 1.232 319 F HN 0.002 nan 8.300 nan 0.000 0.459 320 G N 0.765 109.855 108.800 0.482 0.000 2.723 320 G HA2 0.570 4.530 3.960 -0.000 0.000 0.295 320 G HA3 0.570 4.530 3.960 -0.000 0.000 0.295 320 G C -1.477 173.628 174.900 0.343 0.000 1.464 320 G CA -0.719 44.571 45.100 0.316 0.000 1.012 320 G HN 0.750 nan 8.290 nan 0.000 0.522 321 S N 0.846 116.701 115.700 0.258 0.000 2.634 321 S HA 0.871 5.341 4.470 -0.000 0.000 0.296 321 S C -1.453 173.340 174.600 0.323 0.000 1.104 321 S CA -1.037 57.328 58.200 0.275 0.000 0.920 321 S CB 2.496 65.850 63.200 0.257 0.000 1.111 321 S HN 1.125 nan 8.310 nan 0.000 0.493 322 Y N -0.186 120.218 120.300 0.174 0.000 2.474 322 Y HA 0.566 5.116 4.550 -0.000 0.000 0.326 322 Y C -2.088 173.962 175.900 0.249 0.000 1.160 322 Y CA -0.819 57.396 58.100 0.193 0.000 1.056 322 Y CB 1.379 39.948 38.460 0.181 0.000 1.330 322 Y HN 0.784 nan 8.280 nan 0.000 0.447 323 V N 4.401 124.123 119.914 -0.321 0.000 2.638 323 V HA 0.987 5.107 4.120 -0.000 0.000 0.306 323 V C -0.829 175.019 176.094 -0.410 0.000 1.052 323 V CA -0.249 61.958 62.300 -0.156 0.000 0.885 323 V CB 1.501 33.505 31.823 0.302 0.000 0.999 323 V HN 1.024 nan 8.190 nan 0.000 0.424 324 A N 4.673 127.297 122.820 -0.326 0.000 2.520 324 A HA 1.030 5.350 4.320 -0.000 0.000 0.298 324 A C -1.298 176.032 177.584 -0.424 0.000 1.051 324 A CA -0.515 51.199 52.037 -0.539 0.000 0.690 324 A CB 1.817 20.422 19.000 -0.657 0.000 1.281 324 A HN 1.526 nan 8.150 nan 0.000 0.402 325 F N -0.626 118.864 119.950 -0.766 0.000 2.713 325 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 325 F C -1.536 173.885 175.800 -0.631 0.000 1.141 325 F CA -1.262 56.366 58.000 -0.619 0.000 0.939 325 F CB 1.240 39.947 39.000 -0.489 0.000 1.325 325 F HN 0.336 nan 8.300 nan 0.000 0.453 326 I N 2.430 122.817 120.570 -0.305 0.000 2.476 326 I HA 0.328 4.498 4.170 -0.000 0.000 0.281 326 I C -2.018 173.980 176.117 -0.198 0.000 1.040 326 I CA -1.906 59.167 61.300 -0.377 0.000 1.094 326 I CB 2.063 39.669 38.000 -0.656 0.000 1.219 326 I HN 0.368 nan 8.210 nan 0.000 0.450 327 P HA -0.194 nan 4.420 nan 0.000 0.216 327 P C 1.299 178.523 177.300 -0.127 0.000 1.150 327 P CA 1.204 64.253 63.100 -0.085 0.000 0.837 327 P CB 0.327 31.992 31.700 -0.058 0.000 0.786 328 E N 0.105 120.224 120.200 -0.135 0.000 2.153 328 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 328 E C 0.951 177.467 176.600 -0.140 0.000 0.988 328 E CA 1.048 57.379 56.400 -0.114 0.000 0.811 328 E CB 0.041 29.695 29.700 -0.076 0.000 0.746 328 E HN 0.054 nan 8.360 nan 0.000 0.466 329 K N 0.410 120.688 120.400 -0.204 0.000 2.372 329 K HA 0.089 4.409 4.320 -0.000 0.000 0.200 329 K C -0.168 176.306 176.600 -0.212 0.000 1.022 329 K CA -0.012 56.150 56.287 -0.209 0.000 1.125 329 K CB 0.458 32.797 32.500 -0.268 0.000 0.855 329 K HN 0.153 nan 8.250 nan 0.000 0.524 330 E N 0.702 120.789 120.200 -0.188 0.000 2.328 330 E HA -0.239 4.111 4.350 -0.000 0.000 0.233 330 E C -0.753 175.736 176.600 -0.185 0.000 1.219 330 E CA 0.292 56.582 56.400 -0.183 0.000 0.717 330 E CB -1.225 28.367 29.700 -0.181 0.000 1.210 330 E HN 0.029 nan 8.360 nan 0.000 0.381 331 L N -0.127 120.988 121.223 -0.180 0.000 2.362 331 L HA 0.749 5.089 4.340 -0.000 0.000 0.275 331 L C 0.132 176.931 176.870 -0.118 0.000 0.998 331 L CA 0.139 54.896 54.840 -0.139 0.000 0.820 331 L CB 1.930 43.886 42.059 -0.172 0.000 1.270 331 L HN 0.052 nan 8.230 nan 0.000 0.415 332 G N 4.464 113.228 108.800 -0.060 0.000 2.692 332 G HA2 0.656 4.616 3.960 -0.000 0.000 0.291 332 G HA3 0.656 4.616 3.960 -0.000 0.000 0.291 332 G C -2.144 172.763 174.900 0.012 0.000 1.423 332 G CA -0.478 44.595 45.100 -0.045 0.000 0.843 332 G HN 0.740 nan 8.290 nan 0.000 0.486 333 I N 0.122 120.708 120.570 0.027 0.000 2.752 333 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 333 I C -1.367 174.820 176.117 0.117 0.000 1.219 333 I CA -0.976 60.381 61.300 0.095 0.000 1.030 333 I CB 2.321 40.402 38.000 0.135 0.000 1.259 333 I HN 0.351 nan 8.210 nan 0.000 0.423 334 V N 7.469 127.483 119.914 0.167 0.000 2.531 334 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 334 V C -0.502 175.721 176.094 0.216 0.000 1.034 334 V CA -0.418 61.996 62.300 0.190 0.000 0.865 334 V CB 1.836 33.779 31.823 0.201 0.000 0.995 334 V HN 0.645 nan 8.190 nan 0.000 0.424 335 M N 6.442 126.179 119.600 0.229 0.000 2.053 335 M HA 0.573 5.053 4.480 -0.000 0.000 0.297 335 M C -1.328 175.069 176.300 0.162 0.000 0.921 335 M CA -0.100 55.336 55.300 0.226 0.000 0.918 335 M CB 1.571 34.357 32.600 0.311 0.000 1.499 335 M HN 0.394 nan 8.290 nan 0.000 0.422 336 L N 2.981 124.190 121.223 -0.024 0.000 2.319 336 L HA 0.953 5.293 4.340 -0.000 0.000 0.281 336 L C -0.265 176.449 176.870 -0.260 0.000 1.005 336 L CA -0.652 54.019 54.840 -0.282 0.000 0.828 336 L CB 1.528 43.029 42.059 -0.930 0.000 1.227 336 L HN 0.735 nan 8.230 nan 0.000 0.415 337 A N 2.210 125.162 122.820 0.220 0.000 2.435 337 A HA 0.600 4.920 4.320 -0.000 0.000 0.304 337 A C -0.288 177.664 177.584 0.614 0.000 1.064 337 A CA -0.775 51.514 52.037 0.419 0.000 0.727 337 A CB 1.199 20.377 19.000 0.296 0.000 1.284 337 A HN 0.745 nan 8.150 nan 0.000 0.415 338 N N 1.395 120.396 118.700 0.501 0.000 2.802 338 N HA 0.183 4.923 4.740 -0.000 0.000 0.288 338 N C -0.521 174.974 175.510 -0.025 0.000 1.268 338 N CA -0.062 53.011 53.050 0.038 0.000 1.035 338 N CB 0.182 38.658 38.487 -0.019 0.000 1.353 338 N HN 0.590 nan 8.380 nan 0.000 0.522 339 K N 0.174 120.649 120.400 0.124 0.000 2.557 339 K HA 0.195 4.515 4.320 -0.000 0.000 0.257 339 K C -1.719 175.060 176.600 0.299 0.000 0.933 339 K CA -0.661 55.721 56.287 0.159 0.000 0.820 339 K CB 1.316 33.898 32.500 0.137 0.000 1.330 339 K HN -0.007 nan 8.250 nan 0.000 0.432 340 N N 3.894 122.737 118.700 0.238 0.000 2.415 340 N HA 0.128 4.868 4.740 -0.000 0.000 0.246 340 N C -1.399 174.263 175.510 0.253 0.000 1.078 340 N CA 0.080 53.268 53.050 0.230 0.000 0.942 340 N CB 0.054 38.629 38.487 0.148 0.000 1.140 340 N HN 0.428 nan 8.380 nan 0.000 0.501 341 Y N 1.646 121.986 120.300 0.067 0.000 2.621 341 Y HA 0.726 5.275 4.550 -0.000 0.000 0.334 341 Y C -2.556 173.361 175.900 0.028 0.000 1.074 341 Y CA -3.395 54.728 58.100 0.039 0.000 1.149 341 Y CB -0.781 37.696 38.460 0.030 0.000 1.302 341 Y HN 0.296 nan 8.280 nan 0.000 0.501 342 P HA -0.022 nan 4.420 nan 0.000 0.257 342 P C 0.233 177.399 177.300 -0.223 0.000 1.162 342 P CA 0.583 63.638 63.100 -0.074 0.000 0.762 342 P CB 0.586 32.295 31.700 0.015 0.000 0.753 343 N N 5.349 123.918 118.700 -0.219 0.000 2.060 343 N HA -0.160 4.580 4.740 -0.000 0.000 0.195 343 N C -0.798 174.582 175.510 -0.216 0.000 1.028 343 N CA 1.870 54.770 53.050 -0.252 0.000 0.861 343 N CB -1.785 36.594 38.487 -0.181 0.000 1.029 343 N HN 0.432 nan 8.380 nan 0.000 0.428 344 P HA -0.114 nan 4.420 nan 0.000 0.217 344 P C 0.986 178.248 177.300 -0.063 0.000 1.151 344 P CA 1.729 64.772 63.100 -0.095 0.000 0.849 344 P CB -0.097 31.566 31.700 -0.062 0.000 0.787 345 A N -0.377 122.429 122.820 -0.023 0.000 2.015 345 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 345 A C 2.156 179.796 177.584 0.094 0.000 1.163 345 A CA 1.252 53.332 52.037 0.071 0.000 0.646 345 A CB -0.805 18.310 19.000 0.191 0.000 0.806 345 A HN 0.146 nan 8.150 nan 0.000 0.448 346 R N -0.664 119.820 120.500 -0.026 0.000 2.062 346 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 346 R C 1.985 178.202 176.300 -0.139 0.000 1.128 346 R CA 1.351 57.425 56.100 -0.043 0.000 0.960 346 R CB -0.735 29.407 30.300 -0.264 0.000 0.855 346 R HN 0.332 nan 8.270 nan 0.000 0.432 347 V N 2.141 121.854 119.914 -0.335 0.000 2.295 347 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 347 V C 2.167 178.333 176.094 0.120 0.000 1.049 347 V CA 2.136 64.306 62.300 -0.217 0.000 1.024 347 V CB -0.587 31.127 31.823 -0.182 0.000 0.648 347 V HN 0.318 nan 8.190 nan 0.000 0.447 348 D N 0.599 121.040 120.400 0.069 0.000 2.106 348 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 348 D C 2.164 178.604 176.300 0.233 0.000 0.997 348 D CA 2.082 56.166 54.000 0.140 0.000 0.834 348 D CB -0.182 40.660 40.800 0.071 0.000 0.956 348 D HN 0.364 nan 8.370 nan 0.000 0.448 349 A N 0.744 123.672 122.820 0.180 0.000 1.908 349 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 349 A C 2.460 180.192 177.584 0.246 0.000 1.181 349 A CA 2.794 54.937 52.037 0.177 0.000 0.627 349 A CB -1.056 18.028 19.000 0.140 0.000 0.818 349 A HN 0.358 nan 8.150 nan 0.000 0.445 350 A N -0.903 122.127 122.820 0.350 0.000 1.877 350 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 350 A C 2.133 180.049 177.584 0.553 0.000 1.186 350 A CA 1.529 53.862 52.037 0.494 0.000 0.620 350 A CB -1.030 18.453 19.000 0.805 0.000 0.822 350 A HN 0.936 nan 8.150 nan 0.000 0.443 351 W N 0.760 122.306 121.300 0.411 0.000 2.338 351 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 351 W C 1.840 178.508 176.519 0.248 0.000 1.212 351 W CA 1.974 59.517 57.345 0.330 0.000 1.264 351 W CB -0.503 28.988 29.460 0.051 0.000 1.142 351 W HN 0.514 nan 8.180 nan 0.000 0.512 352 Q N 0.379 120.219 119.800 0.066 0.000 2.124 352 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 352 Q C 2.327 178.275 176.000 -0.086 0.000 0.977 352 Q CA 2.158 57.916 55.803 -0.076 0.000 0.850 352 Q CB -0.266 28.519 28.738 0.078 0.000 0.901 352 Q HN 0.402 nan 8.270 nan 0.000 0.429 353 I N 0.125 120.705 120.570 0.016 0.000 2.193 353 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 353 I C 2.075 178.193 176.117 0.002 0.000 1.084 353 I CA 0.904 62.212 61.300 0.012 0.000 1.365 353 I CB -0.136 37.896 38.000 0.053 0.000 1.064 353 I HN 0.176 nan 8.210 nan 0.000 0.410 354 L N 0.361 121.617 121.223 0.055 0.000 2.141 354 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 354 L C 2.287 179.136 176.870 -0.035 0.000 1.094 354 L CA 1.324 56.194 54.840 0.050 0.000 0.763 354 L CB -0.736 41.416 42.059 0.154 0.000 0.908 354 L HN 0.427 nan 8.230 nan 0.000 0.437 355 N N 0.250 118.811 118.700 -0.232 0.000 2.331 355 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 355 N C 1.823 177.235 175.510 -0.163 0.000 1.019 355 N CA 0.874 53.712 53.050 -0.353 0.000 0.881 355 N CB 0.247 38.066 38.487 -1.113 0.000 0.972 355 N HN 0.281 nan 8.380 nan 0.000 0.435 356 A N 0.762 123.504 122.820 -0.130 0.000 2.014 356 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 356 A C 1.981 179.560 177.584 -0.008 0.000 1.163 356 A CA 0.601 52.603 52.037 -0.059 0.000 0.652 356 A CB -0.174 18.793 19.000 -0.054 0.000 0.808 356 A HN 0.288 nan 8.150 nan 0.000 0.449 357 L N -1.288 119.946 121.223 0.018 0.000 2.463 357 L HA 0.119 4.459 4.340 -0.000 0.000 0.219 357 L C 2.106 179.059 176.870 0.140 0.000 1.088 357 L CA 0.285 55.188 54.840 0.105 0.000 0.849 357 L CB -0.839 41.309 42.059 0.148 0.000 1.012 357 L HN 0.588 nan 8.230 nan 0.000 0.468 358 Q N 0.000 119.843 119.800 0.072 0.000 2.315 358 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 358 Q CA 0.000 55.842 55.803 0.064 0.000 1.022 358 Q CB 0.000 28.833 28.738 0.158 0.000 1.108 358 Q HN 0.000 nan 8.270 nan 0.000 0.481