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 1rzz_1_S DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE CELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.885 175.900 -0.025 0.000 1.272 3 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 3 Y CB 0.000 38.456 38.460 -0.007 0.000 1.050 4 Q N 3.282 122.847 119.800 -0.391 0.000 2.360 4 Q HA 0.059 4.400 4.340 0.001 0.000 0.202 4 Q C 0.550 176.174 176.000 -0.627 0.000 0.915 4 Q CA 0.688 56.250 55.803 -0.403 0.000 0.943 4 Q CB 0.018 28.617 28.738 -0.233 0.000 1.064 4 Q HN 0.775 nan 8.270 nan 0.000 0.511 5 N N 0.318 118.239 118.700 -1.297 0.000 2.721 5 N HA -0.186 4.555 4.740 0.001 0.000 0.249 5 N C 0.275 175.515 175.510 -0.450 0.000 1.072 5 N CA 0.285 52.720 53.050 -1.026 0.000 0.710 5 N CB -0.812 37.325 38.487 -0.584 0.000 0.993 5 N HN 0.183 nan 8.380 nan 0.000 0.547 6 I N -1.306 119.020 120.570 -0.408 0.000 2.585 6 I HA 0.101 4.272 4.170 0.001 0.000 0.254 6 I C 0.537 176.414 176.117 -0.400 0.000 1.129 6 I CA 1.040 62.081 61.300 -0.432 0.000 1.455 6 I CB -0.559 37.106 38.000 -0.559 0.000 1.111 6 I HN 0.050 nan 8.210 nan 0.000 0.433 7 F N 0.156 120.174 119.950 0.112 0.000 2.551 7 F HA 0.402 4.930 4.527 0.001 0.000 0.316 7 F C 0.813 176.816 175.800 0.339 0.000 1.089 7 F CA -1.152 57.000 58.000 0.254 0.000 0.915 7 F CB 1.230 40.350 39.000 0.200 0.000 1.186 7 F HN -0.345 nan 8.300 nan 0.000 0.456 8 S N 1.749 117.811 115.700 0.603 0.000 2.562 8 S HA 0.069 4.539 4.470 0.001 0.000 0.281 8 S C 1.038 175.965 174.600 0.544 0.000 1.333 8 S CA -0.371 58.132 58.200 0.504 0.000 1.052 8 S CB 1.014 64.420 63.200 0.343 0.000 0.884 8 S HN 0.705 nan 8.310 nan 0.000 0.506 9 Q N 0.930 120.920 119.800 0.317 0.000 2.096 9 Q HA 0.078 4.418 4.340 0.001 0.000 0.197 9 Q C 0.390 176.560 176.000 0.284 0.000 0.964 9 Q CA 0.805 56.730 55.803 0.203 0.000 0.838 9 Q CB 0.203 28.879 28.738 -0.104 0.000 0.906 9 Q HN 0.470 nan 8.270 nan 0.000 0.444 10 V N 0.527 120.543 119.914 0.170 0.000 2.656 10 V HA 0.252 4.373 4.120 0.001 0.000 0.307 10 V C -1.570 174.526 176.094 0.003 0.000 1.051 10 V CA -0.676 61.683 62.300 0.098 0.000 0.893 10 V CB 2.029 33.868 31.823 0.026 0.000 0.999 10 V HN 0.128 nan 8.190 nan 0.000 0.426 11 Q N 3.431 123.158 119.800 -0.120 0.000 2.271 11 Q HA 0.631 4.972 4.340 0.001 0.000 0.258 11 Q C -1.155 174.766 176.000 -0.133 0.000 0.936 11 Q CA -0.411 55.273 55.803 -0.199 0.000 0.909 11 Q CB 2.399 30.883 28.738 -0.425 0.000 1.253 11 Q HN 0.638 nan 8.270 nan 0.000 0.440 12 V N 3.160 123.014 119.914 -0.101 0.000 2.680 12 V HA 0.684 4.805 4.120 0.001 0.000 0.309 12 V C -1.303 174.735 176.094 -0.093 0.000 1.052 12 V CA -0.600 61.649 62.300 -0.085 0.000 0.908 12 V CB 2.033 33.823 31.823 -0.054 0.000 1.001 12 V HN 0.778 nan 8.190 nan 0.000 0.431 13 R N 3.331 123.761 120.500 -0.117 0.000 2.621 13 R HA 0.743 5.084 4.340 0.001 0.000 0.284 13 R C -0.254 175.958 176.300 -0.147 0.000 0.998 13 R CA 0.109 56.117 56.100 -0.154 0.000 0.895 13 R CB 2.097 32.228 30.300 -0.282 0.000 1.195 13 R HN 0.973 nan 8.270 nan 0.000 0.450 14 G N 2.317 111.053 108.800 -0.107 0.000 3.016 14 G HA2 0.569 4.530 3.960 0.001 0.000 0.270 14 G HA3 0.569 4.530 3.960 0.001 0.000 0.270 14 G C -2.322 172.534 174.900 -0.074 0.000 1.352 14 G CA -1.123 43.931 45.100 -0.077 0.000 1.060 14 G HN 0.547 nan 8.290 nan 0.000 0.538 15 P HA 0.352 nan 4.420 nan 0.000 0.270 15 P C 0.092 177.457 177.300 0.109 0.000 1.223 15 P CA 0.005 63.111 63.100 0.011 0.000 0.785 15 P CB 0.646 32.351 31.700 0.009 0.000 0.923 16 A N 1.703 124.642 122.820 0.197 0.000 2.565 16 A HA -0.001 4.319 4.320 0.001 0.000 0.237 16 A C 0.478 178.134 177.584 0.120 0.000 1.053 16 A CA 0.208 52.405 52.037 0.266 0.000 0.755 16 A CB -0.472 18.650 19.000 0.203 0.000 0.980 16 A HN 0.579 nan 8.150 nan 0.000 0.506 17 D N 2.329 122.782 120.400 0.089 0.000 2.359 17 D HA 0.333 4.973 4.640 0.001 0.000 0.230 17 D C 0.772 177.078 176.300 0.011 0.000 1.118 17 D CA -0.185 53.839 54.000 0.039 0.000 0.844 17 D CB 0.628 41.447 40.800 0.030 0.000 1.059 17 D HN 0.429 nan 8.370 nan 0.000 0.493 18 L N 2.979 124.207 121.223 0.009 0.000 2.492 18 L HA 0.235 4.575 4.340 0.001 0.000 0.223 18 L C 1.524 178.391 176.870 -0.006 0.000 1.132 18 L CA 0.286 55.125 54.840 -0.000 0.000 0.850 18 L CB -0.754 41.307 42.059 0.003 0.000 0.966 18 L HN 0.628 nan 8.230 nan 0.000 0.454 19 G N 0.345 109.141 108.800 -0.008 0.000 2.782 19 G HA2 -0.214 3.747 3.960 0.001 0.000 0.228 19 G HA3 -0.214 3.747 3.960 0.001 0.000 0.228 19 G C -0.294 174.595 174.900 -0.018 0.000 1.372 19 G CA -0.805 44.286 45.100 -0.016 0.000 0.862 19 G HN -0.098 nan 8.290 nan 0.000 0.547 20 M N 0.368 119.952 119.600 -0.027 0.000 2.242 20 M HA 0.339 4.819 4.480 0.001 0.000 0.344 20 M C 1.634 177.917 176.300 -0.029 0.000 1.140 20 M CA 0.378 55.660 55.300 -0.031 0.000 1.160 20 M CB 0.261 32.835 32.600 -0.043 0.000 1.491 20 M HN 0.671 nan 8.290 nan 0.000 0.459 21 T N 0.328 114.867 114.554 -0.025 0.000 2.904 21 T HA 0.033 4.383 4.350 0.001 0.000 0.243 21 T C 0.874 175.556 174.700 -0.030 0.000 1.024 21 T CA 0.523 62.611 62.100 -0.019 0.000 1.158 21 T CB 0.127 68.988 68.868 -0.012 0.000 0.867 21 T HN 0.738 nan 8.240 nan 0.000 0.429 22 E N 0.677 120.857 120.200 -0.034 0.000 3.304 22 E HA -0.207 4.143 4.350 0.001 0.000 0.365 22 E C -0.106 176.472 176.600 -0.037 0.000 1.512 22 E CA 1.797 58.172 56.400 -0.042 0.000 1.642 22 E CB -1.020 28.644 29.700 -0.061 0.000 1.738 22 E HN 0.348 nan 8.360 nan 0.000 0.483 23 D N -0.064 120.307 120.400 -0.049 0.000 2.388 23 D HA 0.168 4.808 4.640 0.001 0.000 0.221 23 D C -0.479 175.798 176.300 -0.039 0.000 1.133 23 D CA 0.112 54.088 54.000 -0.041 0.000 0.831 23 D CB 0.196 40.968 40.800 -0.047 0.000 0.962 23 D HN 0.021 nan 8.370 nan 0.000 0.502 24 V N 1.886 121.776 119.914 -0.040 0.000 2.715 24 V HA -0.019 4.102 4.120 0.001 0.000 0.299 24 V C 0.944 177.079 176.094 0.070 0.000 1.054 24 V CA -0.489 61.802 62.300 -0.015 0.000 1.077 24 V CB 1.060 32.870 31.823 -0.022 0.000 0.972 24 V HN 0.088 nan 8.190 nan 0.000 0.484 25 N N 3.841 122.642 118.700 0.167 0.000 2.448 25 N HA 0.082 4.822 4.740 0.001 0.000 0.250 25 N C 0.602 176.185 175.510 0.122 0.000 1.136 25 N CA -0.257 52.876 53.050 0.138 0.000 0.953 25 N CB 0.745 39.321 38.487 0.148 0.000 1.251 25 N HN 0.522 nan 8.380 nan 0.000 0.502 26 L N 3.034 124.292 121.223 0.059 0.000 2.349 26 L HA -0.107 4.233 4.340 0.001 0.000 0.220 26 L C 2.225 179.079 176.870 -0.026 0.000 1.130 26 L CA 1.133 55.987 54.840 0.023 0.000 0.791 26 L CB -0.760 41.305 42.059 0.010 0.000 0.918 26 L HN 0.611 nan 8.230 nan 0.000 0.444 27 A N -0.738 122.061 122.820 -0.036 0.000 2.015 27 A HA -0.114 4.206 4.320 0.001 0.000 0.219 27 A C 1.916 179.420 177.584 -0.134 0.000 1.163 27 A CA 1.284 53.281 52.037 -0.066 0.000 0.646 27 A CB -0.359 18.612 19.000 -0.048 0.000 0.806 27 A HN 0.473 nan 8.150 nan 0.000 0.448 28 N N -0.736 117.827 118.700 -0.227 0.000 2.280 28 N HA 0.054 4.795 4.740 0.001 0.000 0.192 28 N C 0.315 175.495 175.510 -0.550 0.000 1.109 28 N CA 0.122 52.891 53.050 -0.469 0.000 0.855 28 N CB 0.146 38.149 38.487 -0.807 0.000 0.974 28 N HN 0.390 nan 8.380 nan 0.000 0.482 29 R N 1.260 121.592 120.500 -0.280 0.000 2.254 29 R HA 0.167 4.507 4.340 0.001 0.000 0.318 29 R C 0.739 176.974 176.300 -0.109 0.000 1.031 29 R CA -0.224 55.785 56.100 -0.151 0.000 0.905 29 R CB 0.691 30.981 30.300 -0.018 0.000 1.050 29 R HN 0.064 nan 8.270 nan 0.000 0.456 30 S N 2.142 117.788 115.700 -0.090 0.000 2.625 30 S HA 0.442 4.912 4.470 0.001 0.000 0.258 30 S C 0.537 175.110 174.600 -0.045 0.000 1.256 30 S CA -0.376 57.784 58.200 -0.065 0.000 0.983 30 S CB 0.769 63.937 63.200 -0.053 0.000 1.032 30 S HN 0.642 nan 8.310 nan 0.000 0.572 31 G N -1.035 107.743 108.800 -0.037 0.000 2.461 31 G HA2 0.519 4.480 3.960 0.001 0.000 0.329 31 G HA3 0.519 4.480 3.960 0.001 0.000 0.329 31 G C -0.430 174.448 174.900 -0.036 0.000 1.170 31 G CA -0.762 44.321 45.100 -0.029 0.000 0.935 31 G HN 0.906 nan 8.290 nan 0.000 0.492 32 V N 0.673 120.566 119.914 -0.036 0.000 2.901 32 V HA 0.455 4.576 4.120 0.001 0.000 0.307 32 V C 1.249 177.295 176.094 -0.081 0.000 1.084 32 V CA 1.018 63.275 62.300 -0.072 0.000 1.184 32 V CB 0.752 32.536 31.823 -0.064 0.000 0.941 32 V HN 0.980 nan 8.190 nan 0.000 0.493 33 G N 6.018 114.737 108.800 -0.135 0.000 2.574 33 G HA2 0.608 4.569 3.960 0.001 0.000 0.248 33 G HA3 0.608 4.569 3.960 0.001 0.000 0.248 33 G C -2.712 172.105 174.900 -0.139 0.000 1.422 33 G CA -0.868 44.165 45.100 -0.112 0.000 1.051 33 G HN 0.685 nan 8.290 nan 0.000 0.560 34 P HA 0.444 nan 4.420 nan 0.000 0.279 34 P C -1.184 176.044 177.300 -0.120 0.000 1.276 34 P CA -0.500 62.587 63.100 -0.022 0.000 0.801 34 P CB 0.684 32.395 31.700 0.019 0.000 1.127 35 F N -0.630 119.309 119.950 -0.018 0.000 2.443 35 F HA 0.444 4.971 4.527 0.001 0.000 0.335 35 F C 0.852 176.635 175.800 -0.029 0.000 1.104 35 F CA -0.197 57.787 58.000 -0.027 0.000 1.013 35 F CB 1.554 40.530 39.000 -0.039 0.000 1.136 35 F HN 0.049 nan 8.300 nan 0.000 0.470 36 S N 1.118 116.894 115.700 0.126 0.000 2.498 36 S HA 0.216 4.686 4.470 0.001 0.000 0.324 36 S C 0.895 175.513 174.600 0.031 0.000 1.071 36 S CA -0.422 57.819 58.200 0.068 0.000 1.113 36 S CB 0.531 63.758 63.200 0.044 0.000 0.976 36 S HN 0.813 nan 8.310 nan 0.000 0.462 37 T N 3.431 117.978 114.554 -0.012 0.000 3.007 37 T HA -0.088 4.262 4.350 0.001 0.000 0.270 37 T C 1.676 176.273 174.700 -0.172 0.000 1.107 37 T CA 0.757 62.763 62.100 -0.158 0.000 1.118 37 T CB -0.270 68.505 68.868 -0.155 0.000 0.889 37 T HN 0.470 nan 8.240 nan 0.000 0.506 38 L N 0.583 121.830 121.223 0.039 0.000 2.056 38 L HA 0.266 4.606 4.340 0.001 0.000 0.207 38 L C 2.251 179.232 176.870 0.186 0.000 1.078 38 L CA 1.479 56.429 54.840 0.184 0.000 0.749 38 L CB -0.571 41.567 42.059 0.132 0.000 0.901 38 L HN 0.278 nan 8.230 nan 0.000 0.433 39 L N -1.088 120.202 121.223 0.111 0.000 2.313 39 L HA 0.007 4.347 4.340 0.001 0.000 0.214 39 L C 2.365 179.321 176.870 0.143 0.000 1.119 39 L CA 0.738 55.667 54.840 0.149 0.000 0.809 39 L CB -1.045 41.075 42.059 0.101 0.000 0.933 39 L HN 0.429 nan 8.230 nan 0.000 0.449 40 G N -0.627 108.174 108.800 0.002 0.000 2.470 40 G HA2 -0.245 3.715 3.960 0.001 0.000 0.220 40 G HA3 -0.245 3.715 3.960 0.001 0.000 0.220 40 G C 1.143 176.007 174.900 -0.060 0.000 1.121 40 G CA 0.089 45.130 45.100 -0.097 0.000 0.766 40 G HN 0.419 nan 8.290 nan 0.000 0.553 41 W N -1.321 120.073 121.300 0.157 0.000 2.519 41 W HA 0.256 4.916 4.660 0.000 0.000 0.266 41 W C 1.912 178.679 176.519 0.414 0.000 1.253 41 W CA -0.450 57.016 57.345 0.202 0.000 1.274 41 W CB -0.038 29.461 29.460 0.066 0.000 1.114 41 W HN 0.147 nan 8.180 nan 0.000 0.596 42 F N -0.899 119.285 119.950 0.390 0.000 2.490 42 F HA 0.415 4.942 4.527 0.001 0.000 0.280 42 F C 1.500 177.403 175.800 0.172 0.000 1.030 42 F CA 1.294 59.490 58.000 0.327 0.000 1.367 42 F CB -0.368 38.811 39.000 0.298 0.000 1.131 42 F HN -0.247 nan 8.300 nan 0.000 0.632 43 G N -0.784 108.135 108.800 0.198 0.000 3.107 43 G HA2 0.181 4.141 3.960 0.001 0.000 0.233 43 G HA3 0.181 4.141 3.960 0.001 0.000 0.233 43 G C -1.148 173.789 174.900 0.062 0.000 1.168 43 G CA -0.769 44.362 45.100 0.052 0.000 0.801 43 G HN -0.088 nan 8.290 nan 0.000 0.605 44 N N 0.563 119.287 118.700 0.040 0.000 2.492 44 N HA 0.303 5.043 4.740 0.001 0.000 0.260 44 N C 1.058 176.594 175.510 0.044 0.000 1.215 44 N CA 0.563 53.634 53.050 0.035 0.000 0.923 44 N CB 1.708 40.205 38.487 0.016 0.000 1.092 44 N HN 0.543 nan 8.380 nan 0.000 0.448 45 A N 2.192 125.056 122.820 0.072 0.000 2.081 45 A HA -0.051 4.269 4.320 0.001 0.000 0.214 45 A C 0.971 178.562 177.584 0.012 0.000 1.158 45 A CA 0.341 52.439 52.037 0.102 0.000 0.724 45 A CB -0.082 19.034 19.000 0.194 0.000 0.826 45 A HN 0.761 nan 8.150 nan 0.000 0.463 46 Q N 0.578 120.316 119.800 -0.103 0.000 2.297 46 Q HA 0.430 4.770 4.340 0.001 0.000 0.267 46 Q C -1.242 174.558 176.000 -0.334 0.000 1.006 46 Q CA 0.014 55.508 55.803 -0.515 0.000 0.896 46 Q CB 0.327 28.831 28.738 -0.389 0.000 1.186 46 Q HN 0.507 nan 8.270 nan 0.000 0.392 47 L N 4.148 125.132 121.223 -0.398 0.000 2.317 47 L HA 0.647 4.987 4.340 0.001 0.000 0.281 47 L C 0.617 177.359 176.870 -0.212 0.000 1.024 47 L CA -0.166 54.543 54.840 -0.218 0.000 0.810 47 L CB 1.540 43.502 42.059 -0.161 0.000 1.240 47 L HN 1.019 nan 8.230 nan 0.000 0.427 48 G N 3.496 112.219 108.800 -0.129 0.000 2.796 48 G HA2 -0.171 3.789 3.960 0.001 0.000 0.226 48 G HA3 -0.171 3.789 3.960 0.001 0.000 0.226 48 G C -2.845 171.993 174.900 -0.104 0.000 1.381 48 G CA -0.859 44.183 45.100 -0.098 0.000 0.867 48 G HN 0.479 nan 8.290 nan 0.000 0.552 49 P HA 0.592 nan 4.420 nan 0.000 0.276 49 P C -0.242 177.045 177.300 -0.022 0.000 1.252 49 P CA -0.465 62.608 63.100 -0.045 0.000 0.802 49 P CB 1.419 33.099 31.700 -0.033 0.000 1.035 50 I N 0.597 121.160 120.570 -0.011 0.000 2.693 50 I HA 0.353 4.523 4.170 0.001 0.000 0.303 50 I C -1.160 174.979 176.117 0.036 0.000 1.025 50 I CA -1.453 59.858 61.300 0.019 0.000 1.086 50 I CB 1.851 39.863 38.000 0.020 0.000 1.268 50 I HN 0.228 nan 8.210 nan 0.000 0.440 51 Y N 7.377 127.638 120.300 -0.065 0.000 2.404 51 Y HA 0.507 5.058 4.550 0.001 0.000 0.344 51 Y C -1.222 174.633 175.900 -0.075 0.000 0.970 51 Y CA -0.478 57.577 58.100 -0.075 0.000 1.180 51 Y CB 0.756 39.156 38.460 -0.101 0.000 1.138 51 Y HN 0.378 nan 8.280 nan 0.000 0.510 52 L N 7.583 128.646 121.223 -0.266 0.000 2.408 52 L HA 0.459 4.800 4.340 0.001 0.000 0.257 52 L C 0.656 177.383 176.870 -0.239 0.000 1.053 52 L CA -0.477 54.280 54.840 -0.138 0.000 0.922 52 L CB 0.637 42.653 42.059 -0.072 0.000 1.261 52 L HN 0.875 nan 8.230 nan 0.000 0.458 53 G N 0.285 109.002 108.800 -0.138 0.000 2.582 53 G HA2 0.186 4.146 3.960 0.001 0.000 0.232 53 G HA3 0.186 4.146 3.960 0.001 0.000 0.232 53 G C 0.801 175.698 174.900 -0.005 0.000 1.458 53 G CA -0.082 44.973 45.100 -0.076 0.000 1.062 53 G HN 0.405 nan 8.290 nan 0.000 0.566 54 S N -0.794 114.919 115.700 0.022 0.000 2.371 54 S HA -0.094 4.377 4.470 0.001 0.000 0.224 54 S C 2.312 176.938 174.600 0.045 0.000 1.029 54 S CA 0.651 58.865 58.200 0.024 0.000 0.978 54 S CB -0.345 62.868 63.200 0.022 0.000 0.833 54 S HN 0.293 nan 8.310 nan 0.000 0.466 55 L N 2.119 123.372 121.223 0.049 0.000 2.046 55 L HA 0.015 4.356 4.340 0.001 0.000 0.208 55 L C 2.290 179.195 176.870 0.058 0.000 1.077 55 L CA 1.860 56.730 54.840 0.050 0.000 0.747 55 L CB -1.354 40.715 42.059 0.017 0.000 0.896 55 L HN 0.340 nan 8.230 nan 0.000 0.432 56 G N -1.575 107.248 108.800 0.038 0.000 2.418 56 G HA2 -0.179 3.782 3.960 0.001 0.000 0.217 56 G HA3 -0.179 3.782 3.960 0.001 0.000 0.217 56 G C 1.566 176.539 174.900 0.122 0.000 1.158 56 G CA 0.967 46.102 45.100 0.059 0.000 0.771 56 G HN 0.310 nan 8.290 nan 0.000 0.545 57 V N 0.761 120.726 119.914 0.086 0.000 2.343 57 V HA -0.129 3.991 4.120 0.001 0.000 0.247 57 V C 2.671 178.854 176.094 0.147 0.000 1.051 57 V CA 1.624 63.981 62.300 0.095 0.000 1.036 57 V CB -0.454 31.395 31.823 0.043 0.000 0.654 57 V HN 0.366 nan 8.190 nan 0.000 0.451 58 L N 0.230 121.533 121.223 0.133 0.000 1.989 58 L HA -0.165 4.176 4.340 0.001 0.000 0.211 58 L C 2.627 179.633 176.870 0.227 0.000 1.071 58 L CA 2.572 57.520 54.840 0.180 0.000 0.749 58 L CB -0.990 41.154 42.059 0.141 0.000 0.890 58 L HN 0.321 nan 8.230 nan 0.000 0.431 59 S N -0.966 114.855 115.700 0.202 0.000 2.370 59 S HA -0.212 4.259 4.470 0.001 0.000 0.226 59 S C 2.120 176.827 174.600 0.178 0.000 1.033 59 S CA 1.732 60.065 58.200 0.223 0.000 1.011 59 S CB -0.547 62.861 63.200 0.348 0.000 0.852 59 S HN 0.520 nan 8.310 nan 0.000 0.457 60 L N -0.211 121.126 121.223 0.190 0.000 2.093 60 L HA -0.016 4.324 4.340 0.001 0.000 0.208 60 L C 2.190 179.100 176.870 0.067 0.000 1.085 60 L CA 1.601 56.506 54.840 0.109 0.000 0.755 60 L CB -0.409 41.726 42.059 0.127 0.000 0.904 60 L HN 0.454 nan 8.230 nan 0.000 0.435 61 F N 0.045 119.996 119.950 0.002 0.000 2.051 61 F HA -0.241 4.286 4.527 0.001 0.000 0.296 61 F C 2.577 178.323 175.800 -0.090 0.000 1.122 61 F CA 1.974 59.955 58.000 -0.031 0.000 1.201 61 F CB -0.547 38.458 39.000 0.009 0.000 0.978 61 F HN 0.000 nan 8.300 nan 0.000 0.472 62 S N 0.403 116.062 115.700 -0.068 0.000 2.359 62 S HA -0.174 4.296 4.470 0.001 0.000 0.224 62 S C 2.348 176.846 174.600 -0.171 0.000 1.035 62 S CA 1.320 59.442 58.200 -0.130 0.000 1.018 62 S CB -1.448 61.842 63.200 0.150 0.000 0.876 62 S HN 0.641 nan 8.310 nan 0.000 0.448 63 G N 1.713 110.452 108.800 -0.103 0.000 2.469 63 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 63 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 63 G C 1.340 176.174 174.900 -0.111 0.000 1.150 63 G CA 0.887 45.945 45.100 -0.070 0.000 0.763 63 G HN 0.444 nan 8.290 nan 0.000 0.561 64 L N -0.278 120.736 121.223 -0.348 0.000 2.056 64 L HA -0.029 4.311 4.340 0.001 0.000 0.207 64 L C 3.049 179.440 176.870 -0.799 0.000 1.078 64 L CA 0.574 55.010 54.840 -0.672 0.000 0.749 64 L CB -0.327 41.325 42.059 -0.679 0.000 0.901 64 L HN 0.137 nan 8.230 nan 0.000 0.433 65 M N -1.181 117.980 119.600 -0.731 0.000 2.159 65 M HA -0.231 4.249 4.480 0.001 0.000 0.263 65 M C 2.053 178.134 176.300 -0.366 0.000 1.063 65 M CA 1.597 56.424 55.300 -0.788 0.000 1.110 65 M CB -1.235 30.263 32.600 -1.837 0.000 1.374 65 M HN 0.448 nan 8.290 nan 0.000 0.411 66 W N 0.471 121.564 121.300 -0.345 0.000 2.354 66 W HA -0.251 4.410 4.660 0.001 0.000 0.315 66 W C 2.197 178.613 176.519 -0.172 0.000 1.206 66 W CA 1.332 58.592 57.345 -0.143 0.000 1.290 66 W CB -1.041 28.334 29.460 -0.142 0.000 1.152 66 W HN 0.165 nan 8.180 nan 0.000 0.489 67 F N -0.016 119.589 119.950 -0.574 0.000 2.161 67 F HA -0.149 4.378 4.527 0.001 0.000 0.300 67 F C 2.175 177.736 175.800 -0.397 0.000 1.089 67 F CA 2.015 59.554 58.000 -0.768 0.000 1.282 67 F CB -0.851 37.807 39.000 -0.569 0.000 1.010 67 F HN -0.096 nan 8.300 nan 0.000 0.485 68 F N -0.995 118.831 119.950 -0.206 0.000 2.206 68 F HA -0.192 4.335 4.527 0.001 0.000 0.298 68 F C 2.383 178.077 175.800 -0.176 0.000 1.090 68 F CA 1.026 58.919 58.000 -0.178 0.000 1.323 68 F CB -0.782 38.149 39.000 -0.114 0.000 1.028 68 F HN -0.193 nan 8.300 nan 0.000 0.492 69 T N 1.082 115.649 114.554 0.021 0.000 2.708 69 T HA -0.183 4.168 4.350 0.001 0.000 0.266 69 T C 1.886 176.557 174.700 -0.047 0.000 1.037 69 T CA 1.383 63.505 62.100 0.037 0.000 1.146 69 T CB -0.430 68.491 68.868 0.088 0.000 0.865 69 T HN 0.168 nan 8.240 nan 0.000 0.435 70 I N 1.111 121.496 120.570 -0.308 0.000 2.226 70 I HA -0.097 4.073 4.170 0.001 0.000 0.245 70 I C 2.901 178.739 176.117 -0.465 0.000 1.100 70 I CA 1.265 62.309 61.300 -0.428 0.000 1.374 70 I CB -0.793 36.697 38.000 -0.849 0.000 1.057 70 I HN 0.301 nan 8.210 nan 0.000 0.413 71 G N 1.147 109.687 108.800 -0.433 0.000 2.421 71 G HA2 -0.278 3.683 3.960 0.001 0.000 0.216 71 G HA3 -0.278 3.683 3.960 0.001 0.000 0.216 71 G C 1.663 176.706 174.900 0.238 0.000 1.171 71 G CA 0.721 45.724 45.100 -0.162 0.000 0.775 71 G HN 0.281 nan 8.290 nan 0.000 0.543 72 I N -0.297 120.412 120.570 0.232 0.000 2.286 72 I HA -0.085 4.085 4.170 0.001 0.000 0.248 72 I C 2.323 178.640 176.117 0.334 0.000 1.115 72 I CA 0.861 62.353 61.300 0.320 0.000 1.392 72 I CB -0.280 37.876 38.000 0.260 0.000 1.065 72 I HN 0.487 nan 8.210 nan 0.000 0.418 73 W N -0.008 121.374 121.300 0.137 0.000 2.355 73 W HA -0.297 4.363 4.660 0.001 0.000 0.309 73 W C 2.125 178.753 176.519 0.182 0.000 1.206 73 W CA 1.062 58.522 57.345 0.191 0.000 1.284 73 W CB -0.395 29.206 29.460 0.234 0.000 1.145 73 W HN 0.102 nan 8.180 nan 0.000 0.502 74 F N -0.254 119.568 119.950 -0.214 0.000 2.126 74 F HA -0.173 4.355 4.527 0.001 0.000 0.299 74 F C 2.029 177.274 175.800 -0.925 0.000 1.096 74 F CA 1.288 58.840 58.000 -0.747 0.000 1.255 74 F CB -1.674 37.024 39.000 -0.503 0.000 0.997 74 F HN -0.061 nan 8.300 nan 0.000 0.479 75 W N -1.605 119.536 121.300 -0.265 0.000 2.388 75 W HA -0.223 4.438 4.660 0.001 0.000 0.294 75 W C 2.591 178.408 176.519 -1.170 0.000 1.212 75 W CA 1.487 58.501 57.345 -0.552 0.000 1.271 75 W CB -1.089 28.084 29.460 -0.479 0.000 1.126 75 W HN 0.036 nan 8.180 nan 0.000 0.535 76 Y N 1.168 120.860 120.300 -1.014 0.000 2.145 76 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 76 Y C 2.338 177.731 175.900 -0.844 0.000 1.145 76 Y CA 2.125 59.608 58.100 -1.028 0.000 1.148 76 Y CB -0.886 37.243 38.460 -0.551 0.000 0.981 76 Y HN -0.008 nan 8.280 nan 0.000 0.507 77 Q N -0.683 118.513 119.800 -1.007 0.000 2.364 77 Q HA -0.106 4.234 4.340 0.001 0.000 0.209 77 Q C 1.786 177.425 176.000 -0.601 0.000 0.977 77 Q CA 0.915 56.194 55.803 -0.873 0.000 0.885 77 Q CB -0.195 28.055 28.738 -0.813 0.000 0.941 77 Q HN 0.585 nan 8.270 nan 0.000 0.464 78 A N -0.683 121.716 122.820 -0.702 0.000 2.308 78 A HA 0.343 4.664 4.320 0.001 0.000 0.217 78 A C 1.310 178.754 177.584 -0.233 0.000 1.216 78 A CA 0.557 52.396 52.037 -0.330 0.000 0.864 78 A CB -0.032 18.790 19.000 -0.298 0.000 0.902 78 A HN 0.385 nan 8.150 nan 0.000 0.499 79 G N -2.219 106.342 108.800 -0.399 0.000 2.179 79 G HA2 -0.329 3.631 3.960 0.001 0.000 0.257 79 G HA3 -0.329 3.631 3.960 0.001 0.000 0.257 79 G C 0.328 175.270 174.900 0.070 0.000 1.010 79 G CA 0.289 45.279 45.100 -0.183 0.000 0.736 79 G HN 1.097 nan 8.290 nan 0.000 0.513 80 W N -1.963 119.421 121.300 0.141 0.000 3.520 80 W HA -0.199 4.461 4.660 0.001 0.000 0.305 80 W C 0.678 177.379 176.519 0.304 0.000 1.150 80 W CA 0.366 57.882 57.345 0.285 0.000 0.656 80 W CB -1.880 27.654 29.460 0.123 0.000 2.198 80 W HN 0.581 nan 8.180 nan 0.000 1.417 81 N N 0.981 119.879 118.700 0.331 0.000 2.420 81 N HA 0.178 4.919 4.740 0.001 0.000 0.249 81 N C -1.152 174.522 175.510 0.274 0.000 1.033 81 N CA -1.672 51.536 53.050 0.264 0.000 0.944 81 N CB 1.453 40.027 38.487 0.145 0.000 1.113 81 N HN -0.224 nan 8.380 nan 0.000 0.502 82 P HA -0.135 nan 4.420 nan 0.000 0.216 82 P C 0.821 178.236 177.300 0.191 0.000 1.153 82 P CA 1.539 64.823 63.100 0.307 0.000 0.858 82 P CB 0.270 32.158 31.700 0.314 0.000 0.789 83 A N -0.899 122.008 122.820 0.147 0.000 1.933 83 A HA -0.141 4.180 4.320 0.001 0.000 0.218 83 A C 2.281 179.907 177.584 0.071 0.000 1.175 83 A CA 1.707 53.801 52.037 0.095 0.000 0.628 83 A CB -1.608 17.432 19.000 0.066 0.000 0.814 83 A HN 0.050 nan 8.150 nan 0.000 0.444 84 V N -1.372 118.591 119.914 0.081 0.000 2.453 84 V HA -0.186 3.934 4.120 0.001 0.000 0.247 84 V C 2.221 178.391 176.094 0.127 0.000 1.048 84 V CA 1.793 64.130 62.300 0.062 0.000 1.049 84 V CB -0.980 30.883 31.823 0.068 0.000 0.672 84 V HN 0.622 nan 8.190 nan 0.000 0.457 85 F N 0.568 120.474 119.950 -0.074 0.000 2.095 85 F HA -0.211 4.316 4.527 0.001 0.000 0.298 85 F C 2.035 177.830 175.800 -0.008 0.000 1.104 85 F CA 1.824 59.723 58.000 -0.169 0.000 1.232 85 F CB -0.161 38.348 39.000 -0.819 0.000 0.987 85 F HN 0.023 nan 8.300 nan 0.000 0.475 86 L N 0.175 121.467 121.223 0.115 0.000 2.072 86 L HA -0.163 4.177 4.340 0.001 0.000 0.205 86 L C 2.652 179.476 176.870 -0.077 0.000 1.079 86 L CA 1.673 56.533 54.840 0.034 0.000 0.752 86 L CB -0.667 41.455 42.059 0.105 0.000 0.906 86 L HN 0.180 nan 8.230 nan 0.000 0.436 87 R N -0.538 119.914 120.500 -0.080 0.000 2.115 87 R HA -0.084 4.257 4.340 0.001 0.000 0.226 87 R C 1.003 177.167 176.300 -0.226 0.000 1.100 87 R CA 1.499 57.513 56.100 -0.142 0.000 0.980 87 R CB -0.319 29.903 30.300 -0.130 0.000 0.875 87 R HN 0.160 nan 8.270 nan 0.000 0.445 88 D N 0.370 120.574 120.400 -0.327 0.000 2.340 88 D HA 0.010 4.651 4.640 0.001 0.000 0.217 88 D C 1.387 177.273 176.300 -0.691 0.000 1.081 88 D CA -0.053 53.579 54.000 -0.614 0.000 0.842 88 D CB 0.348 40.528 40.800 -1.033 0.000 0.934 88 D HN 0.114 nan 8.370 nan 0.000 0.511 89 L N 0.139 121.169 121.223 -0.322 0.000 2.064 89 L HA -0.229 4.111 4.340 0.001 0.000 0.216 89 L C 1.433 178.332 176.870 0.049 0.000 1.077 89 L CA 1.714 56.478 54.840 -0.127 0.000 0.766 89 L CB -0.471 41.549 42.059 -0.065 0.000 0.890 89 L HN -0.047 nan 8.230 nan 0.000 0.435 90 F N -1.928 117.783 119.950 -0.400 0.000 2.710 90 F HA 0.060 4.587 4.527 0.001 0.000 0.298 90 F C 1.763 177.063 175.800 -0.835 0.000 1.137 90 F CA 0.198 57.741 58.000 -0.762 0.000 1.444 90 F CB -0.745 37.423 39.000 -1.386 0.000 1.111 90 F HN 0.047 nan 8.300 nan 0.000 0.580 91 F N -1.804 117.896 119.950 -0.417 0.000 2.530 91 F HA 0.140 4.667 4.527 0.001 0.000 0.292 91 F C 0.957 176.520 175.800 -0.395 0.000 1.109 91 F CA -0.535 57.281 58.000 -0.307 0.000 1.450 91 F CB -0.885 37.913 39.000 -0.337 0.000 1.114 91 F HN -0.341 nan 8.300 nan 0.000 0.560 92 F N 0.552 120.291 119.950 -0.352 0.000 2.535 92 F HA 0.320 4.848 4.527 0.001 0.000 0.332 92 F C 0.811 176.274 175.800 -0.562 0.000 1.208 92 F CA -0.361 57.193 58.000 -0.743 0.000 1.330 92 F CB 0.139 38.091 39.000 -1.746 0.000 1.167 92 F HN -0.269 nan 8.300 nan 0.000 0.597 93 S N 1.743 117.473 115.700 0.050 0.000 2.548 93 S HA 0.405 4.875 4.470 0.001 0.000 0.278 93 S C -1.650 173.366 174.600 0.693 0.000 1.150 93 S CA -0.864 57.581 58.200 0.409 0.000 0.907 93 S CB 0.724 64.104 63.200 0.300 0.000 1.108 93 S HN 0.654 nan 8.310 nan 0.000 0.459 94 L N 4.456 126.099 121.223 0.700 0.000 2.287 94 L HA 0.498 4.839 4.340 0.001 0.000 0.280 94 L C -0.271 176.845 176.870 0.411 0.000 1.055 94 L CA -0.413 54.717 54.840 0.484 0.000 0.863 94 L CB 0.572 42.941 42.059 0.517 0.000 1.245 94 L HN 0.720 nan 8.230 nan 0.000 0.432 95 E N 5.848 126.171 120.200 0.206 0.000 2.343 95 E HA 0.350 4.700 4.350 0.001 0.000 0.269 95 E C -2.255 174.212 176.600 -0.221 0.000 1.047 95 E CA -1.669 54.747 56.400 0.026 0.000 0.874 95 E CB 1.006 30.742 29.700 0.060 0.000 1.033 95 E HN 0.390 nan 8.360 nan 0.000 0.409 96 P HA 0.238 nan 4.420 nan 0.000 0.277 96 P C -2.566 174.502 177.300 -0.388 0.000 1.276 96 P CA -1.555 60.876 63.100 -1.114 0.000 0.788 96 P CB -0.491 30.109 31.700 -1.833 0.000 1.114 97 P HA 0.064 nan 4.420 nan 0.000 0.267 97 P C -0.193 177.141 177.300 0.058 0.000 1.200 97 P CA 0.408 63.493 63.100 -0.025 0.000 0.772 97 P CB 0.004 31.737 31.700 0.055 0.000 0.855 98 A N 5.245 128.179 122.820 0.189 0.000 2.406 98 A HA 0.231 4.551 4.320 0.001 0.000 0.243 98 A C -1.252 176.404 177.584 0.119 0.000 1.082 98 A CA -0.775 51.346 52.037 0.141 0.000 0.786 98 A CB -1.091 18.000 19.000 0.152 0.000 1.029 98 A HN 0.436 nan 8.150 nan 0.000 0.495 99 P HA -0.188 nan 4.420 nan 0.000 0.216 99 P C 0.773 178.045 177.300 -0.047 0.000 1.154 99 P CA 1.724 64.815 63.100 -0.015 0.000 0.865 99 P CB 0.075 31.754 31.700 -0.034 0.000 0.789 100 E N -1.936 118.205 120.200 -0.098 0.000 2.273 100 E HA -0.200 4.151 4.350 0.001 0.000 0.198 100 E C 1.393 177.835 176.600 -0.263 0.000 1.002 100 E CA 1.140 57.413 56.400 -0.211 0.000 0.828 100 E CB -1.003 28.508 29.700 -0.314 0.000 0.747 100 E HN 0.475 nan 8.360 nan 0.000 0.491 101 Y N -0.238 120.044 120.300 -0.030 0.000 2.511 101 Y HA 0.165 4.715 4.550 0.001 0.000 0.279 101 Y C 1.828 177.684 175.900 -0.073 0.000 1.157 101 Y CA 0.449 58.535 58.100 -0.023 0.000 1.300 101 Y CB -0.240 38.233 38.460 0.022 0.000 1.052 101 Y HN 0.101 nan 8.280 nan 0.000 0.529 102 G N 0.941 109.735 108.800 -0.010 0.000 2.651 102 G HA2 -0.353 3.607 3.960 0.001 0.000 0.315 102 G HA3 -0.353 3.607 3.960 0.001 0.000 0.315 102 G C 0.586 175.298 174.900 -0.313 0.000 1.258 102 G CA 0.720 45.730 45.100 -0.150 0.000 1.002 102 G HN 0.286 nan 8.290 nan 0.000 0.551 103 L N 1.897 122.855 121.223 -0.443 0.000 2.872 103 L HA 0.366 4.706 4.340 0.001 0.000 0.245 103 L C 1.516 178.152 176.870 -0.390 0.000 1.211 103 L CA 0.413 54.760 54.840 -0.822 0.000 1.013 103 L CB -0.003 41.543 42.059 -0.855 0.000 1.326 103 L HN 0.637 nan 8.230 nan 0.000 0.525 104 S N -1.093 114.505 115.700 -0.170 0.000 2.632 104 S HA 0.346 4.816 4.470 0.001 0.000 0.267 104 S C 0.107 174.598 174.600 -0.181 0.000 1.276 104 S CA -0.369 57.745 58.200 -0.144 0.000 0.998 104 S CB 0.759 63.985 63.200 0.044 0.000 0.953 104 S HN 0.145 nan 8.310 nan 0.000 0.547 105 F N 0.048 120.113 119.950 0.191 0.000 2.684 105 F HA 0.477 5.005 4.527 0.001 0.000 0.298 105 F C 1.736 177.550 175.800 0.023 0.000 1.120 105 F CA -0.363 57.693 58.000 0.094 0.000 1.332 105 F CB -0.398 38.627 39.000 0.041 0.000 0.986 105 F HN 0.769 nan 8.300 nan 0.000 0.524 106 A N 0.145 123.046 122.820 0.135 0.000 2.218 106 A HA 0.509 4.830 4.320 0.001 0.000 0.209 106 A C 1.511 179.046 177.584 -0.082 0.000 1.168 106 A CA 0.305 52.395 52.037 0.088 0.000 0.804 106 A CB -0.596 18.505 19.000 0.169 0.000 0.834 106 A HN 0.174 nan 8.150 nan 0.000 0.482 107 A N 1.313 123.917 122.820 -0.359 0.000 2.520 107 A HA 0.470 4.791 4.320 0.001 0.000 0.245 107 A C -2.268 175.130 177.584 -0.311 0.000 1.072 107 A CA -0.814 50.753 52.037 -0.783 0.000 0.761 107 A CB -0.430 18.063 19.000 -0.846 0.000 1.004 107 A HN 0.258 nan 8.150 nan 0.000 0.499 108 P HA -0.005 nan 4.420 nan 0.000 0.268 108 P C 1.222 178.475 177.300 -0.079 0.000 1.208 108 P CA -0.576 62.481 63.100 -0.072 0.000 0.777 108 P CB 0.390 32.090 31.700 0.001 0.000 0.875 109 L N 2.070 123.266 121.223 -0.045 0.000 1.997 109 L HA -0.229 4.112 4.340 0.001 0.000 0.216 109 L C 1.678 178.477 176.870 -0.118 0.000 1.074 109 L CA 2.281 57.086 54.840 -0.058 0.000 0.763 109 L CB -1.293 40.754 42.059 -0.021 0.000 0.890 109 L HN 0.524 nan 8.230 nan 0.000 0.434 110 K N -0.370 119.992 120.400 -0.064 0.000 2.525 110 K HA -0.082 4.239 4.320 0.001 0.000 0.192 110 K C 0.505 177.058 176.600 -0.079 0.000 1.029 110 K CA 0.387 56.627 56.287 -0.079 0.000 1.029 110 K CB 0.105 32.714 32.500 0.182 0.000 0.814 110 K HN 0.223 nan 8.250 nan 0.000 0.503 111 E N -0.523 119.637 120.200 -0.067 0.000 2.736 111 E HA 0.150 4.501 4.350 0.001 0.000 0.208 111 E C 0.380 176.916 176.600 -0.107 0.000 0.996 111 E CA -0.072 56.307 56.400 -0.035 0.000 1.104 111 E CB 1.214 30.939 29.700 0.042 0.000 1.111 111 E HN 0.324 nan 8.360 nan 0.000 0.455 112 G N -0.834 107.894 108.800 -0.120 0.000 2.428 112 G HA2 -0.228 3.732 3.960 0.001 0.000 0.199 112 G HA3 -0.228 3.732 3.960 0.001 0.000 0.199 112 G C 1.267 176.179 174.900 0.021 0.000 1.005 112 G CA -0.110 44.956 45.100 -0.057 0.000 0.671 112 G HN 0.427 nan 8.290 nan 0.000 0.485 113 G N 0.784 109.548 108.800 -0.059 0.000 2.418 113 G HA2 0.062 4.022 3.960 0.001 0.000 0.217 113 G HA3 0.062 4.022 3.960 0.001 0.000 0.217 113 G C 1.735 176.639 174.900 0.006 0.000 1.158 113 G CA 1.626 46.713 45.100 -0.022 0.000 0.771 113 G HN 0.651 nan 8.290 nan 0.000 0.545 114 L N -0.656 120.546 121.223 -0.035 0.000 2.083 114 L HA 0.076 4.417 4.340 0.001 0.000 0.209 114 L C 2.370 179.268 176.870 0.046 0.000 1.083 114 L CA 1.290 56.113 54.840 -0.029 0.000 0.752 114 L CB -0.709 41.263 42.059 -0.145 0.000 0.899 114 L HN 0.520 nan 8.230 nan 0.000 0.433 115 W N -0.458 120.799 121.300 -0.071 0.000 2.358 115 W HA -0.207 4.453 4.660 0.000 0.000 0.303 115 W C 2.224 178.802 176.519 0.098 0.000 1.208 115 W CA 1.560 58.949 57.345 0.074 0.000 1.274 115 W CB -0.126 29.351 29.460 0.027 0.000 1.138 115 W HN 0.077 nan 8.180 nan 0.000 0.515 116 L N 0.093 121.444 121.223 0.213 0.000 2.093 116 L HA -0.216 4.125 4.340 0.001 0.000 0.208 116 L C 2.406 179.196 176.870 -0.134 0.000 1.085 116 L CA 1.292 56.126 54.840 -0.010 0.000 0.755 116 L CB -0.696 41.415 42.059 0.086 0.000 0.904 116 L HN 0.022 nan 8.230 nan 0.000 0.435 117 I N -0.395 120.119 120.570 -0.094 0.000 2.179 117 I HA -0.289 3.881 4.170 0.001 0.000 0.242 117 I C 2.765 178.824 176.117 -0.098 0.000 1.088 117 I CA 1.208 62.414 61.300 -0.156 0.000 1.357 117 I CB -0.416 37.538 38.000 -0.078 0.000 1.051 117 I HN 0.199 nan 8.210 nan 0.000 0.409 118 A N 0.011 122.834 122.820 0.004 0.000 1.902 118 A HA -0.199 4.122 4.320 0.001 0.000 0.217 118 A C 2.456 180.100 177.584 0.101 0.000 1.181 118 A CA 2.191 54.304 52.037 0.126 0.000 0.623 118 A CB -0.747 18.186 19.000 -0.111 0.000 0.818 118 A HN 0.394 nan 8.150 nan 0.000 0.443 119 S N -1.194 114.398 115.700 -0.181 0.000 2.419 119 S HA -0.106 4.364 4.470 0.001 0.000 0.233 119 S C 1.585 176.157 174.600 -0.047 0.000 1.016 119 S CA 1.323 59.394 58.200 -0.214 0.000 0.974 119 S CB -0.469 62.313 63.200 -0.696 0.000 0.786 119 S HN 0.632 nan 8.310 nan 0.000 0.492 120 F N 1.778 121.597 119.950 -0.218 0.000 2.084 120 F HA -0.044 4.483 4.527 0.001 0.000 0.296 120 F C 1.652 177.435 175.800 -0.028 0.000 1.111 120 F CA 1.165 59.038 58.000 -0.212 0.000 1.224 120 F CB -0.452 38.292 39.000 -0.427 0.000 0.991 120 F HN 0.098 nan 8.300 nan 0.000 0.471 121 F N 0.217 120.218 119.950 0.086 0.000 2.126 121 F HA -0.245 4.283 4.527 0.001 0.000 0.299 121 F C 2.662 178.412 175.800 -0.084 0.000 1.096 121 F CA 1.770 59.776 58.000 0.009 0.000 1.255 121 F CB -1.168 37.895 39.000 0.106 0.000 0.997 121 F HN 0.078 nan 8.300 nan 0.000 0.479 122 M N -1.261 118.362 119.600 0.037 0.000 2.117 122 M HA -0.226 4.255 4.480 0.001 0.000 0.262 122 M C 2.292 178.582 176.300 -0.016 0.000 1.065 122 M CA 1.632 56.756 55.300 -0.293 0.000 1.114 122 M CB -0.429 31.768 32.600 -0.671 0.000 1.361 122 M HN 0.162 nan 8.290 nan 0.000 0.408 123 F N 0.392 120.343 119.950 0.002 0.000 2.043 123 F HA -0.261 4.267 4.527 0.001 0.000 0.297 123 F C 1.925 177.793 175.800 0.113 0.000 1.121 123 F CA 2.216 60.314 58.000 0.163 0.000 1.199 123 F CB -0.601 38.356 39.000 -0.071 0.000 0.968 123 F HN -0.080 nan 8.300 nan 0.000 0.478 124 V N 0.561 120.560 119.914 0.141 0.000 2.332 124 V HA -0.338 3.782 4.120 0.001 0.000 0.248 124 V C 2.698 178.838 176.094 0.078 0.000 1.055 124 V CA 1.790 64.141 62.300 0.085 0.000 1.038 124 V CB -1.686 30.123 31.823 -0.024 0.000 0.651 124 V HN 0.531 nan 8.190 nan 0.000 0.450 125 A N -0.098 122.735 122.820 0.022 0.000 1.865 125 A HA -0.191 4.129 4.320 0.001 0.000 0.217 125 A C 2.405 179.964 177.584 -0.041 0.000 1.191 125 A CA 2.412 54.444 52.037 -0.009 0.000 0.623 125 A CB -0.805 18.126 19.000 -0.116 0.000 0.826 125 A HN 0.340 nan 8.150 nan 0.000 0.444 126 V N -2.483 117.275 119.914 -0.260 0.000 2.307 126 V HA -0.268 3.852 4.120 0.001 0.000 0.245 126 V C 2.269 178.208 176.094 -0.259 0.000 1.045 126 V CA 1.784 63.821 62.300 -0.438 0.000 1.024 126 V CB -1.032 30.056 31.823 -1.224 0.000 0.651 126 V HN 0.781 nan 8.190 nan 0.000 0.449 127 W N 0.813 121.999 121.300 -0.190 0.000 2.388 127 W HA -0.176 4.484 4.660 0.000 0.000 0.294 127 W C 2.968 179.557 176.519 0.117 0.000 1.212 127 W CA 1.536 58.823 57.345 -0.097 0.000 1.271 127 W CB -0.391 28.884 29.460 -0.307 0.000 1.126 127 W HN 0.360 nan 8.180 nan 0.000 0.535 128 S N -0.862 115.020 115.700 0.302 0.000 2.383 128 S HA -0.244 4.226 4.470 0.001 0.000 0.227 128 S C 1.688 176.427 174.600 0.233 0.000 1.026 128 S CA 0.922 59.270 58.200 0.248 0.000 0.981 128 S CB -1.231 62.084 63.200 0.191 0.000 0.818 128 S HN 0.488 nan 8.310 nan 0.000 0.472 129 W N 0.857 122.219 121.300 0.104 0.000 2.402 129 W HA -0.059 4.601 4.660 0.000 0.000 0.286 129 W C 1.853 178.486 176.519 0.188 0.000 1.221 129 W CA 0.863 58.260 57.345 0.087 0.000 1.257 129 W CB -0.489 28.989 29.460 0.031 0.000 1.120 129 W HN 0.518 nan 8.180 nan 0.000 0.551 130 W N 1.541 123.015 121.300 0.290 0.000 2.355 130 W HA -0.074 4.586 4.660 0.000 0.000 0.309 130 W C 2.495 179.098 176.519 0.141 0.000 1.206 130 W CA 3.340 60.849 57.345 0.274 0.000 1.284 130 W CB -0.896 28.568 29.460 0.007 0.000 1.145 130 W HN -0.124 nan 8.180 nan 0.000 0.502 131 G N 0.403 109.314 108.800 0.186 0.000 2.432 131 G HA2 -0.317 3.643 3.960 0.001 0.000 0.219 131 G HA3 -0.317 3.643 3.960 0.001 0.000 0.219 131 G C 1.609 176.355 174.900 -0.257 0.000 1.135 131 G CA 1.029 46.075 45.100 -0.089 0.000 0.767 131 G HN 0.338 nan 8.290 nan 0.000 0.550 132 R N 0.480 120.818 120.500 -0.269 0.000 2.081 132 R HA -0.125 4.216 4.340 0.001 0.000 0.235 132 R C 2.860 178.858 176.300 -0.504 0.000 1.131 132 R CA 2.179 58.031 56.100 -0.415 0.000 0.960 132 R CB -0.677 29.244 30.300 -0.633 0.000 0.856 132 R HN 0.462 nan 8.270 nan 0.000 0.436 133 T N -2.008 112.214 114.554 -0.553 0.000 2.788 133 T HA -0.217 4.133 4.350 0.001 0.000 0.268 133 T C 1.831 176.236 174.700 -0.492 0.000 1.044 133 T CA 1.271 63.072 62.100 -0.499 0.000 1.139 133 T CB -0.587 68.045 68.868 -0.395 0.000 0.867 133 T HN 0.463 nan 8.240 nan 0.000 0.454 134 Y N 1.851 121.723 120.300 -0.713 0.000 2.109 134 Y HA 0.107 4.657 4.550 0.000 0.000 0.285 134 Y C 2.244 177.866 175.900 -0.463 0.000 1.131 134 Y CA 1.236 58.930 58.100 -0.676 0.000 1.121 134 Y CB -0.325 37.629 38.460 -0.844 0.000 0.987 134 Y HN 0.113 nan 8.280 nan 0.000 0.495 135 L N -0.310 120.826 121.223 -0.146 0.000 2.042 135 L HA -0.253 4.087 4.340 0.001 0.000 0.210 135 L C 2.496 179.177 176.870 -0.315 0.000 1.076 135 L CA 1.111 55.852 54.840 -0.165 0.000 0.749 135 L CB -0.569 41.405 42.059 -0.142 0.000 0.893 135 L HN 0.120 nan 8.230 nan 0.000 0.432 136 R N 0.359 120.625 120.500 -0.390 0.000 2.127 136 R HA -0.118 4.222 4.340 0.001 0.000 0.238 136 R C 2.247 178.329 176.300 -0.364 0.000 1.134 136 R CA 1.425 57.268 56.100 -0.429 0.000 0.975 136 R CB -1.263 28.782 30.300 -0.425 0.000 0.865 136 R HN 0.403 nan 8.270 nan 0.000 0.447 137 A N 0.212 122.799 122.820 -0.388 0.000 1.930 137 A HA -0.133 4.187 4.320 0.001 0.000 0.215 137 A C 2.141 179.515 177.584 -0.350 0.000 1.176 137 A CA 1.165 52.978 52.037 -0.373 0.000 0.632 137 A CB -0.361 18.363 19.000 -0.460 0.000 0.819 137 A HN 0.388 nan 8.150 nan 0.000 0.445 138 Q N -0.358 119.212 119.800 -0.383 0.000 2.079 138 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 138 Q C 1.988 177.868 176.000 -0.200 0.000 0.974 138 Q CA 1.349 56.980 55.803 -0.287 0.000 0.840 138 Q CB -0.313 28.291 28.738 -0.223 0.000 0.898 138 Q HN 0.578 nan 8.270 nan 0.000 0.430 139 A N 0.034 122.726 122.820 -0.213 0.000 2.216 139 A HA -0.022 4.298 4.320 0.001 0.000 0.214 139 A C 1.415 178.906 177.584 -0.156 0.000 1.160 139 A CA 0.704 52.634 52.037 -0.177 0.000 0.725 139 A CB -0.100 18.762 19.000 -0.230 0.000 0.784 139 A HN 0.442 nan 8.150 nan 0.000 0.472 140 L N -2.207 118.914 121.223 -0.170 0.000 2.906 140 L HA 0.303 4.643 4.340 0.001 0.000 0.255 140 L C 1.476 178.271 176.870 -0.126 0.000 1.166 140 L CA 0.368 55.124 54.840 -0.141 0.000 0.977 140 L CB 0.288 42.254 42.059 -0.154 0.000 1.313 140 L HN 0.446 nan 8.230 nan 0.000 0.549 141 G N 0.756 109.476 108.800 -0.134 0.000 2.166 141 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 141 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 141 G C 0.337 175.163 174.900 -0.124 0.000 0.986 141 G CA 0.464 45.495 45.100 -0.115 0.000 0.683 141 G HN 0.275 nan 8.290 nan 0.000 0.527 142 M N 0.270 119.774 119.600 -0.160 0.000 2.197 142 M HA 0.507 4.987 4.480 0.001 0.000 0.305 142 M C 1.470 177.671 176.300 -0.165 0.000 1.162 142 M CA 0.225 55.432 55.300 -0.155 0.000 1.099 142 M CB 0.400 32.895 32.600 -0.174 0.000 1.430 142 M HN 0.205 nan 8.290 nan 0.000 0.481 143 G N 0.370 109.118 108.800 -0.087 0.000 2.634 143 G HA2 0.195 4.155 3.960 0.001 0.000 0.255 143 G HA3 0.195 4.155 3.960 0.001 0.000 0.255 143 G C 0.111 174.911 174.900 -0.166 0.000 1.205 143 G CA -0.590 44.512 45.100 0.002 0.000 0.884 143 G HN 0.612 nan 8.290 nan 0.000 0.549 144 K N -0.034 120.131 120.400 -0.393 0.000 2.570 144 K HA 0.121 4.441 4.320 0.001 0.000 0.210 144 K C 1.185 177.311 176.600 -0.789 0.000 1.048 144 K CA -0.204 55.614 56.287 -0.781 0.000 1.167 144 K CB 0.047 31.818 32.500 -1.215 0.000 0.892 144 K HN 0.580 nan 8.250 nan 0.000 0.480 145 H N 0.302 119.141 119.070 -0.386 0.000 2.387 145 H HA -0.083 4.474 4.556 0.000 0.000 0.299 145 H C 1.694 176.931 175.328 -0.153 0.000 1.099 145 H CA 1.959 57.898 56.048 -0.182 0.000 1.315 145 H CB -0.211 29.488 29.762 -0.106 0.000 1.380 145 H HN 0.092 nan 8.280 nan 0.000 0.513 146 T N 0.226 114.729 114.554 -0.085 0.000 2.708 146 T HA -0.138 4.212 4.350 0.001 0.000 0.266 146 T C 2.396 177.079 174.700 -0.029 0.000 1.037 146 T CA 1.242 63.295 62.100 -0.077 0.000 1.146 146 T CB -0.521 68.258 68.868 -0.149 0.000 0.865 146 T HN 0.519 nan 8.240 nan 0.000 0.435 147 A N 0.703 123.404 122.820 -0.199 0.000 1.883 147 A HA -0.111 4.209 4.320 0.001 0.000 0.217 147 A C 2.187 180.044 177.584 0.455 0.000 1.186 147 A CA 1.399 53.372 52.037 -0.105 0.000 0.624 147 A CB -1.240 17.425 19.000 -0.559 0.000 0.822 147 A HN 0.742 nan 8.150 nan 0.000 0.444 148 W N -0.530 120.902 121.300 0.220 0.000 2.355 148 W HA -0.117 4.544 4.660 0.001 0.000 0.309 148 W C 2.819 179.399 176.519 0.101 0.000 1.206 148 W CA 0.544 57.985 57.345 0.160 0.000 1.284 148 W CB -0.157 29.297 29.460 -0.011 0.000 1.145 148 W HN 0.436 nan 8.180 nan 0.000 0.502 149 A N 0.188 123.186 122.820 0.297 0.000 1.902 149 A HA -0.255 4.065 4.320 0.001 0.000 0.217 149 A C 1.733 179.485 177.584 0.279 0.000 1.181 149 A CA 1.449 53.583 52.037 0.161 0.000 0.623 149 A CB -1.225 17.820 19.000 0.076 0.000 0.818 149 A HN 0.344 nan 8.150 nan 0.000 0.443 150 F N 0.673 120.724 119.950 0.168 0.000 2.161 150 F HA -0.119 4.408 4.527 0.000 0.000 0.300 150 F C 1.867 177.786 175.800 0.197 0.000 1.089 150 F CA 0.976 59.084 58.000 0.180 0.000 1.282 150 F CB -0.603 38.533 39.000 0.227 0.000 1.010 150 F HN 0.151 nan 8.300 nan 0.000 0.485 151 L N -0.935 120.449 121.223 0.268 0.000 2.127 151 L HA -0.246 4.095 4.340 0.001 0.000 0.211 151 L C 2.735 179.639 176.870 0.057 0.000 1.089 151 L CA 1.573 56.421 54.840 0.013 0.000 0.757 151 L CB -0.877 41.258 42.059 0.126 0.000 0.899 151 L HN 0.189 nan 8.230 nan 0.000 0.434 152 S N -0.447 115.326 115.700 0.123 0.000 2.382 152 S HA -0.179 4.291 4.470 0.001 0.000 0.228 152 S C 2.076 176.806 174.600 0.216 0.000 1.027 152 S CA 1.258 59.551 58.200 0.155 0.000 0.991 152 S CB 0.004 63.261 63.200 0.095 0.000 0.823 152 S HN 0.466 nan 8.310 nan 0.000 0.469 153 A N 1.348 124.267 122.820 0.164 0.000 1.873 153 A HA 0.080 4.400 4.320 0.001 0.000 0.215 153 A C 2.094 179.724 177.584 0.077 0.000 1.186 153 A CA 1.345 53.471 52.037 0.148 0.000 0.616 153 A CB -0.790 18.344 19.000 0.223 0.000 0.823 153 A HN 0.600 nan 8.150 nan 0.000 0.442 154 I N -1.047 119.455 120.570 -0.113 0.000 2.335 154 I HA -0.296 3.875 4.170 0.001 0.000 0.251 154 I C 2.476 178.675 176.117 0.136 0.000 1.129 154 I CA 1.413 62.605 61.300 -0.181 0.000 1.402 154 I CB -0.306 37.246 38.000 -0.747 0.000 1.069 154 I HN 0.769 nan 8.210 nan 0.000 0.424 155 W N 1.723 123.007 121.300 -0.026 0.000 2.333 155 W HA -0.251 4.410 4.660 0.001 0.000 0.316 155 W C 2.243 178.800 176.519 0.064 0.000 1.215 155 W CA 1.327 58.689 57.345 0.029 0.000 1.278 155 W CB -0.440 29.028 29.460 0.013 0.000 1.154 155 W HN 0.111 nan 8.180 nan 0.000 0.486 156 L N 0.432 121.589 121.223 -0.110 0.000 2.046 156 L HA -0.227 4.114 4.340 0.001 0.000 0.208 156 L C 2.464 179.266 176.870 -0.114 0.000 1.077 156 L CA 2.576 57.279 54.840 -0.229 0.000 0.747 156 L CB -1.121 40.933 42.059 -0.008 0.000 0.896 156 L HN 0.242 nan 8.230 nan 0.000 0.432 157 W N 0.389 121.589 121.300 -0.166 0.000 2.358 157 W HA -0.252 4.408 4.660 0.000 0.000 0.303 157 W C 2.422 178.878 176.519 -0.106 0.000 1.208 157 W CA 1.298 58.559 57.345 -0.141 0.000 1.274 157 W CB -0.197 29.156 29.460 -0.179 0.000 1.138 157 W HN 0.038 nan 8.180 nan 0.000 0.515 158 M N 0.108 119.570 119.600 -0.231 0.000 2.117 158 M HA -0.170 4.310 4.480 0.001 0.000 0.262 158 M C 1.955 178.132 176.300 -0.204 0.000 1.065 158 M CA 1.396 56.503 55.300 -0.322 0.000 1.114 158 M CB -1.568 31.037 32.600 0.009 0.000 1.361 158 M HN -0.034 nan 8.290 nan 0.000 0.408 159 V N 0.653 120.370 119.914 -0.327 0.000 2.295 159 V HA -0.281 3.840 4.120 0.001 0.000 0.246 159 V C 2.513 178.506 176.094 -0.169 0.000 1.049 159 V CA 1.508 63.606 62.300 -0.337 0.000 1.024 159 V CB -0.668 30.780 31.823 -0.624 0.000 0.648 159 V HN 0.389 nan 8.190 nan 0.000 0.447 160 L N 0.181 121.294 121.223 -0.183 0.000 1.994 160 L HA -0.099 4.241 4.340 0.001 0.000 0.208 160 L C 2.369 179.199 176.870 -0.067 0.000 1.071 160 L CA 2.037 56.806 54.840 -0.120 0.000 0.745 160 L CB -0.842 41.113 42.059 -0.173 0.000 0.892 160 L HN 0.477 nan 8.230 nan 0.000 0.431 161 G N -2.820 105.914 108.800 -0.110 0.000 3.020 161 G HA2 -0.032 3.928 3.960 0.001 0.000 0.217 161 G HA3 -0.032 3.928 3.960 0.001 0.000 0.217 161 G C 0.932 176.000 174.900 0.281 0.000 1.144 161 G CA -0.081 45.061 45.100 0.070 0.000 0.760 161 G HN 0.248 nan 8.290 nan 0.000 0.548 162 F N -0.074 119.882 119.950 0.011 0.000 2.282 162 F HA 0.356 4.884 4.527 0.000 0.000 0.255 162 F C 2.236 178.123 175.800 0.145 0.000 0.959 162 F CA 0.031 58.134 58.000 0.172 0.000 1.170 162 F CB 0.046 39.097 39.000 0.087 0.000 1.376 162 F HN -0.053 nan 8.300 nan 0.000 0.709 163 I N 1.038 121.726 120.570 0.196 0.000 2.076 163 I HA -0.314 3.857 4.170 0.001 0.000 0.237 163 I C 2.575 178.665 176.117 -0.046 0.000 1.059 163 I CA 1.937 63.264 61.300 0.045 0.000 1.317 163 I CB -0.673 37.385 38.000 0.096 0.000 1.037 163 I HN 0.184 nan 8.210 nan 0.000 0.398 164 R N 1.004 121.491 120.500 -0.021 0.000 2.096 164 R HA -0.176 4.164 4.340 0.001 0.000 0.240 164 R C -0.392 175.898 176.300 -0.017 0.000 1.139 164 R CA 2.100 58.200 56.100 -0.000 0.000 0.952 164 R CB -1.238 29.095 30.300 0.055 0.000 0.854 164 R HN 0.217 nan 8.270 nan 0.000 0.436 165 P HA -0.161 nan 4.420 nan 0.000 0.216 165 P C 1.109 178.245 177.300 -0.272 0.000 1.153 165 P CA 1.447 64.514 63.100 -0.056 0.000 0.858 165 P CB -0.038 31.723 31.700 0.102 0.000 0.789 166 I N -1.500 118.854 120.570 -0.359 0.000 2.226 166 I HA -0.215 3.955 4.170 0.001 0.000 0.245 166 I C 2.232 178.181 176.117 -0.280 0.000 1.100 166 I CA 1.314 62.336 61.300 -0.463 0.000 1.374 166 I CB -0.545 37.161 38.000 -0.489 0.000 1.057 166 I HN -0.089 nan 8.210 nan 0.000 0.413 167 L N -0.385 120.734 121.223 -0.174 0.000 2.141 167 L HA -0.176 4.164 4.340 0.001 0.000 0.209 167 L C 2.450 179.258 176.870 -0.103 0.000 1.094 167 L CA 0.880 55.655 54.840 -0.109 0.000 0.763 167 L CB -0.357 41.670 42.059 -0.054 0.000 0.908 167 L HN 0.315 nan 8.230 nan 0.000 0.437 168 M N -0.950 118.587 119.600 -0.105 0.000 2.492 168 M HA 0.078 4.559 4.480 0.001 0.000 0.262 168 M C 1.670 177.891 176.300 -0.132 0.000 1.090 168 M CA 1.151 56.400 55.300 -0.085 0.000 1.110 168 M CB -0.740 31.837 32.600 -0.039 0.000 1.407 168 M HN 0.421 nan 8.290 nan 0.000 0.470 169 G N 1.047 109.724 108.800 -0.206 0.000 2.176 169 G HA2 -0.198 3.762 3.960 0.001 0.000 0.232 169 G HA3 -0.198 3.762 3.960 0.001 0.000 0.232 169 G C 0.192 174.904 174.900 -0.314 0.000 0.986 169 G CA 0.432 45.385 45.100 -0.245 0.000 0.643 169 G HN 0.686 nan 8.290 nan 0.000 0.522 170 S N -2.004 113.494 115.700 -0.337 0.000 2.537 170 S HA 0.518 4.988 4.470 0.001 0.000 0.271 170 S C 0.299 174.722 174.600 -0.294 0.000 1.148 170 S CA -0.090 57.900 58.200 -0.351 0.000 0.868 170 S CB 0.536 63.636 63.200 -0.166 0.000 1.115 170 S HN 0.427 nan 8.310 nan 0.000 0.461 171 W N 1.607 122.838 121.300 -0.115 0.000 2.525 171 W HA -0.028 4.632 4.660 0.001 0.000 0.259 171 W C 2.596 178.943 176.519 -0.287 0.000 1.253 171 W CA 0.639 57.884 57.345 -0.166 0.000 1.262 171 W CB -0.055 29.319 29.460 -0.144 0.000 1.122 171 W HN 0.937 nan 8.180 nan 0.000 0.607 172 S N 0.014 115.711 115.700 -0.006 0.000 2.500 172 S HA -0.171 4.300 4.470 0.001 0.000 0.239 172 S C 1.406 176.019 174.600 0.021 0.000 0.989 172 S CA 1.124 59.294 58.200 -0.050 0.000 0.951 172 S CB -0.239 62.955 63.200 -0.009 0.000 0.759 172 S HN 0.253 nan 8.310 nan 0.000 0.523 173 E N 1.443 121.683 120.200 0.067 0.000 2.371 173 E HA 0.320 4.671 4.350 0.001 0.000 0.194 173 E C 1.140 177.935 176.600 0.325 0.000 1.012 173 E CA 0.523 57.045 56.400 0.203 0.000 0.860 173 E CB -0.238 29.551 29.700 0.149 0.000 0.811 173 E HN 0.719 nan 8.360 nan 0.000 0.502 174 A N 1.188 124.087 122.820 0.132 0.000 2.366 174 A HA 0.249 4.569 4.320 0.001 0.000 0.250 174 A C 0.466 177.917 177.584 -0.221 0.000 1.099 174 A CA -0.370 51.699 52.037 0.052 0.000 0.794 174 A CB 0.477 19.585 19.000 0.179 0.000 1.056 174 A HN -0.040 nan 8.150 nan 0.000 0.499 175 V N 2.655 122.275 119.914 -0.491 0.000 2.583 175 V HA 0.307 4.428 4.120 0.001 0.000 0.287 175 V C -1.778 174.091 176.094 -0.376 0.000 1.051 175 V CA -0.969 60.796 62.300 -0.891 0.000 1.010 175 V CB 0.902 32.180 31.823 -0.909 0.000 0.988 175 V HN 0.867 nan 8.190 nan 0.000 0.478 176 P HA 0.252 nan 4.420 nan 0.000 0.281 176 P C -1.489 175.785 177.300 -0.044 0.000 1.249 176 P CA -0.507 62.560 63.100 -0.056 0.000 0.810 176 P CB 0.641 32.387 31.700 0.077 0.000 1.008 177 Y N 0.695 121.224 120.300 0.382 0.000 2.535 177 Y HA 0.575 5.126 4.550 0.001 0.000 0.349 177 Y C 1.326 177.417 175.900 0.318 0.000 0.992 177 Y CA 0.440 58.702 58.100 0.270 0.000 1.248 177 Y CB 0.352 38.921 38.460 0.182 0.000 1.124 177 Y HN 0.573 nan 8.280 nan 0.000 0.520 178 G N 2.353 111.362 108.800 0.349 0.000 2.633 178 G HA2 0.297 4.258 3.960 0.001 0.000 0.299 178 G HA3 0.297 4.258 3.960 0.001 0.000 0.299 178 G C -0.105 174.918 174.900 0.205 0.000 1.501 178 G CA -0.788 44.514 45.100 0.337 0.000 0.887 178 G HN 0.254 nan 8.290 nan 0.000 0.561 179 I N 1.116 121.705 120.570 0.033 0.000 2.072 179 I HA -0.036 4.134 4.170 0.001 0.000 0.235 179 I C 2.518 178.767 176.117 0.220 0.000 1.058 179 I CA 1.443 62.694 61.300 -0.081 0.000 1.320 179 I CB -0.988 36.557 38.000 -0.758 0.000 1.047 179 I HN 0.469 nan 8.210 nan 0.000 0.397 180 F N 1.716 121.643 119.950 -0.038 0.000 2.206 180 F HA -0.114 4.413 4.527 0.001 0.000 0.298 180 F C 2.992 178.811 175.800 0.031 0.000 1.090 180 F CA 1.097 59.062 58.000 -0.058 0.000 1.323 180 F CB -1.576 37.286 39.000 -0.229 0.000 1.028 180 F HN 0.194 nan 8.300 nan 0.000 0.492 181 S N 0.045 115.916 115.700 0.286 0.000 2.382 181 S HA -0.253 4.218 4.470 0.001 0.000 0.228 181 S C 2.091 176.871 174.600 0.300 0.000 1.027 181 S CA 1.554 59.909 58.200 0.258 0.000 0.991 181 S CB -1.253 62.095 63.200 0.246 0.000 0.823 181 S HN 0.645 nan 8.310 nan 0.000 0.469 182 H N 1.878 121.059 119.070 0.185 0.000 2.495 182 H HA 0.181 4.738 4.556 0.001 0.000 0.287 182 H C 1.857 177.329 175.328 0.241 0.000 1.033 182 H CA 1.062 57.217 56.048 0.179 0.000 1.307 182 H CB -0.509 29.311 29.762 0.097 0.000 1.401 182 H HN 0.440 nan 8.280 nan 0.000 0.555 183 L N 0.532 121.658 121.223 -0.162 0.000 2.131 183 L HA -0.096 4.245 4.340 0.001 0.000 0.206 183 L C 2.229 179.112 176.870 0.022 0.000 1.087 183 L CA 1.023 55.760 54.840 -0.172 0.000 0.767 183 L CB -0.260 41.739 42.059 -0.099 0.000 0.917 183 L HN 0.124 nan 8.230 nan 0.000 0.441 184 D N -0.410 120.044 120.400 0.090 0.000 2.097 184 D HA -0.247 4.394 4.640 0.001 0.000 0.195 184 D C 1.741 178.133 176.300 0.153 0.000 0.989 184 D CA 1.221 55.279 54.000 0.097 0.000 0.827 184 D CB -0.277 40.592 40.800 0.114 0.000 0.966 184 D HN 0.400 nan 8.370 nan 0.000 0.456 185 W N 1.752 123.081 121.300 0.049 0.000 2.338 185 W HA -0.229 4.431 4.660 0.000 0.000 0.304 185 W C 2.180 178.757 176.519 0.096 0.000 1.212 185 W CA 2.217 59.613 57.345 0.085 0.000 1.264 185 W CB -0.330 29.191 29.460 0.102 0.000 1.142 185 W HN -0.140 nan 8.180 nan 0.000 0.512 186 T N 0.261 115.040 114.554 0.375 0.000 2.777 186 T HA -0.271 4.080 4.350 0.001 0.000 0.266 186 T C 1.421 176.125 174.700 0.006 0.000 1.040 186 T CA 1.739 63.953 62.100 0.190 0.000 1.141 186 T CB -0.644 68.322 68.868 0.163 0.000 0.868 186 T HN 0.269 nan 8.240 nan 0.000 0.444 187 N N 1.621 120.321 118.700 -0.001 0.000 2.106 187 N HA -0.106 4.635 4.740 0.001 0.000 0.188 187 N C 1.690 177.165 175.510 -0.059 0.000 1.029 187 N CA 1.625 54.652 53.050 -0.038 0.000 0.848 187 N CB -0.537 37.930 38.487 -0.033 0.000 1.007 187 N HN 0.330 nan 8.380 nan 0.000 0.423 188 N N -0.665 117.989 118.700 -0.076 0.000 2.069 188 N HA -0.185 4.556 4.740 0.001 0.000 0.191 188 N C 1.600 177.015 175.510 -0.158 0.000 1.031 188 N CA 1.268 54.247 53.050 -0.118 0.000 0.852 188 N CB -0.603 37.806 38.487 -0.130 0.000 1.018 188 N HN 0.300 nan 8.380 nan 0.000 0.423 189 F N 0.583 120.279 119.950 -0.424 0.000 2.120 189 F HA -0.194 4.333 4.527 0.000 0.000 0.300 189 F C 2.698 178.442 175.800 -0.093 0.000 1.095 189 F CA 1.767 59.530 58.000 -0.395 0.000 1.249 189 F CB -0.862 37.663 39.000 -0.791 0.000 0.995 189 F HN 0.108 nan 8.300 nan 0.000 0.480 190 S N -0.205 115.558 115.700 0.105 0.000 2.345 190 S HA -0.126 4.344 4.470 0.001 0.000 0.219 190 S C 2.009 176.601 174.600 -0.015 0.000 1.031 190 S CA 1.154 59.379 58.200 0.041 0.000 0.984 190 S CB -0.553 62.589 63.200 -0.096 0.000 0.874 190 S HN 0.259 nan 8.310 nan 0.000 0.451 191 L N 1.735 122.922 121.223 -0.060 0.000 2.013 191 L HA -0.055 4.286 4.340 0.001 0.000 0.212 191 L C 2.475 179.280 176.870 -0.109 0.000 1.073 191 L CA 1.474 56.272 54.840 -0.070 0.000 0.753 191 L CB -1.207 40.806 42.059 -0.078 0.000 0.890 191 L HN 0.209 nan 8.230 nan 0.000 0.432 192 V N -1.445 118.352 119.914 -0.195 0.000 2.759 192 V HA -0.237 3.884 4.120 0.001 0.000 0.256 192 V C 1.128 176.911 176.094 -0.520 0.000 1.080 192 V CA 1.340 63.423 62.300 -0.362 0.000 1.101 192 V CB -0.856 30.675 31.823 -0.487 0.000 0.698 192 V HN 0.553 nan 8.190 nan 0.000 0.477 193 H N -0.572 118.377 119.070 -0.202 0.000 2.469 193 H HA 0.469 5.025 4.556 0.001 0.000 0.286 193 H C 1.392 176.767 175.328 0.077 0.000 1.106 193 H CA 0.387 56.367 56.048 -0.114 0.000 1.055 193 H CB 0.144 29.834 29.762 -0.120 0.000 1.618 193 H HN 0.336 nan 8.280 nan 0.000 0.559 194 G N 1.835 110.706 108.800 0.119 0.000 2.198 194 G HA2 -0.373 3.588 3.960 0.001 0.000 0.257 194 G HA3 -0.373 3.588 3.960 0.001 0.000 0.257 194 G C -0.168 174.946 174.900 0.357 0.000 1.042 194 G CA 0.293 45.524 45.100 0.218 0.000 0.791 194 G HN 0.840 nan 8.290 nan 0.000 0.502 195 N N -2.277 116.560 118.700 0.228 0.000 2.883 195 N HA -0.157 4.583 4.740 0.001 0.000 0.277 195 N C 0.853 176.441 175.510 0.129 0.000 1.707 195 N CA 0.304 53.440 53.050 0.144 0.000 1.494 195 N CB -0.611 38.013 38.487 0.229 0.000 0.821 195 N HN 0.534 nan 8.380 nan 0.000 0.482 196 L N 4.253 125.401 121.223 -0.124 0.000 2.549 196 L HA 0.056 4.397 4.340 0.001 0.000 0.230 196 L C 1.404 178.094 176.870 -0.301 0.000 1.162 196 L CA 1.369 56.024 54.840 -0.309 0.000 0.834 196 L CB -0.430 41.271 42.059 -0.598 0.000 0.947 196 L HN 0.650 nan 8.230 nan 0.000 0.452 197 F N -1.991 117.851 119.950 -0.180 0.000 2.365 197 F HA -0.137 4.390 4.527 0.001 0.000 0.300 197 F C 1.638 177.350 175.800 -0.147 0.000 1.090 197 F CA 0.645 58.556 58.000 -0.148 0.000 1.408 197 F CB -0.778 38.056 39.000 -0.276 0.000 1.060 197 F HN 0.136 nan 8.300 nan 0.000 0.534 198 Y N -1.216 119.268 120.300 0.306 0.000 2.490 198 Y HA 0.076 4.627 4.550 0.000 0.000 0.281 198 Y C 1.078 177.100 175.900 0.204 0.000 1.174 198 Y CA -0.493 57.801 58.100 0.323 0.000 1.295 198 Y CB -0.735 37.998 38.460 0.454 0.000 1.062 198 Y HN -0.148 nan 8.280 nan 0.000 0.522 199 N N 2.913 121.585 118.700 -0.048 0.000 2.420 199 N HA 0.021 4.762 4.740 0.001 0.000 0.262 199 N C -1.711 173.598 175.510 -0.336 0.000 1.144 199 N CA -1.700 50.898 53.050 -0.753 0.000 0.952 199 N CB 1.278 38.991 38.487 -1.291 0.000 1.081 199 N HN 0.034 nan 8.380 nan 0.000 0.480 200 P HA -0.156 nan 4.420 nan 0.000 0.216 200 P C 1.130 178.261 177.300 -0.282 0.000 1.153 200 P CA 1.378 64.351 63.100 -0.212 0.000 0.858 200 P CB -0.020 31.536 31.700 -0.239 0.000 0.789 201 F N -1.054 118.773 119.950 -0.205 0.000 2.407 201 F HA -0.094 4.434 4.527 0.001 0.000 0.299 201 F C 2.855 178.631 175.800 -0.041 0.000 1.097 201 F CA 1.018 58.967 58.000 -0.085 0.000 1.422 201 F CB -1.134 37.815 39.000 -0.084 0.000 1.067 201 F HN 0.103 nan 8.300 nan 0.000 0.539 202 H N -0.213 118.821 119.070 -0.059 0.000 2.363 202 H HA -0.057 4.500 4.556 0.001 0.000 0.301 202 H C 2.418 177.730 175.328 -0.027 0.000 1.074 202 H CA 1.292 57.310 56.048 -0.049 0.000 1.354 202 H CB -0.340 29.353 29.762 -0.116 0.000 1.397 202 H HN 0.324 nan 8.280 nan 0.000 0.516 203 G N 1.272 110.059 108.800 -0.022 0.000 2.440 203 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 203 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 203 G C 1.979 176.781 174.900 -0.163 0.000 1.154 203 G CA 0.729 45.773 45.100 -0.093 0.000 0.767 203 G HN 0.322 nan 8.290 nan 0.000 0.552 204 L N 0.460 121.614 121.223 -0.114 0.000 2.017 204 L HA -0.103 4.238 4.340 0.001 0.000 0.208 204 L C 3.112 179.959 176.870 -0.039 0.000 1.073 204 L CA 1.365 56.137 54.840 -0.113 0.000 0.745 204 L CB -0.559 41.539 42.059 0.066 0.000 0.894 204 L HN 0.345 nan 8.230 nan 0.000 0.432 205 S N 0.187 115.932 115.700 0.074 0.000 2.374 205 S HA -0.194 4.276 4.470 0.001 0.000 0.227 205 S C 1.964 176.519 174.600 -0.075 0.000 1.037 205 S CA 1.381 59.648 58.200 0.112 0.000 1.024 205 S CB -0.268 62.959 63.200 0.045 0.000 0.861 205 S HN 0.298 nan 8.310 nan 0.000 0.456 206 I N 1.321 121.711 120.570 -0.300 0.000 2.315 206 I HA -0.151 4.020 4.170 0.001 0.000 0.248 206 I C 2.725 178.517 176.117 -0.541 0.000 1.117 206 I CA 1.004 61.993 61.300 -0.518 0.000 1.404 206 I CB -0.516 37.123 38.000 -0.602 0.000 1.071 206 I HN 0.375 nan 8.210 nan 0.000 0.419 207 A N 0.763 123.349 122.820 -0.389 0.000 1.933 207 A HA -0.191 4.130 4.320 0.001 0.000 0.218 207 A C 1.953 179.358 177.584 -0.299 0.000 1.175 207 A CA 1.606 53.422 52.037 -0.369 0.000 0.628 207 A CB -0.791 17.898 19.000 -0.518 0.000 0.814 207 A HN 0.355 nan 8.150 nan 0.000 0.444 208 F N -1.173 118.773 119.950 -0.006 0.000 2.512 208 F HA 0.074 4.601 4.527 0.000 0.000 0.296 208 F C 1.866 177.705 175.800 0.065 0.000 1.110 208 F CA 0.597 58.632 58.000 0.058 0.000 1.446 208 F CB -0.390 38.658 39.000 0.081 0.000 1.092 208 F HN 0.233 nan 8.300 nan 0.000 0.554 209 L N -1.015 120.294 121.223 0.144 0.000 2.044 209 L HA -0.165 4.176 4.340 0.001 0.000 0.205 209 L C 2.168 179.179 176.870 0.234 0.000 1.075 209 L CA 1.887 56.809 54.840 0.137 0.000 0.747 209 L CB -0.976 41.097 42.059 0.024 0.000 0.903 209 L HN 0.020 nan 8.230 nan 0.000 0.435 210 Y N 0.171 120.514 120.300 0.072 0.000 2.200 210 Y HA 0.005 4.556 4.550 0.000 0.000 0.290 210 Y C 2.579 178.522 175.900 0.071 0.000 1.137 210 Y CA 0.768 58.901 58.100 0.055 0.000 1.163 210 Y CB -1.604 36.866 38.460 0.017 0.000 0.988 210 Y HN 0.248 nan 8.280 nan 0.000 0.518 211 G N -1.403 107.543 108.800 0.243 0.000 2.470 211 G HA2 -0.186 3.774 3.960 0.001 0.000 0.220 211 G HA3 -0.186 3.774 3.960 0.001 0.000 0.220 211 G C 1.827 176.843 174.900 0.194 0.000 1.121 211 G CA 1.188 46.400 45.100 0.187 0.000 0.766 211 G HN 0.380 nan 8.290 nan 0.000 0.553 212 S N 0.460 116.293 115.700 0.220 0.000 2.425 212 S HA 0.185 4.655 4.470 0.001 0.000 0.225 212 S C 2.647 177.378 174.600 0.219 0.000 1.024 212 S CA 0.749 59.070 58.200 0.201 0.000 0.951 212 S CB -0.016 63.306 63.200 0.204 0.000 0.796 212 S HN 0.530 nan 8.310 nan 0.000 0.498 213 A N 1.106 124.053 122.820 0.212 0.000 2.016 213 A HA 0.147 4.467 4.320 0.001 0.000 0.217 213 A C 2.010 179.688 177.584 0.157 0.000 1.162 213 A CA 0.686 52.838 52.037 0.192 0.000 0.662 213 A CB -0.409 18.688 19.000 0.160 0.000 0.812 213 A HN 0.423 nan 8.150 nan 0.000 0.450 214 L N -0.839 120.465 121.223 0.134 0.000 2.023 214 L HA 0.003 4.343 4.340 0.001 0.000 0.205 214 L C 2.134 179.050 176.870 0.077 0.000 1.073 214 L CA 1.886 56.781 54.840 0.091 0.000 0.745 214 L CB -0.632 41.469 42.059 0.071 0.000 0.900 214 L HN 0.256 nan 8.230 nan 0.000 0.435 215 L N -1.280 119.985 121.223 0.071 0.000 2.046 215 L HA -0.152 4.188 4.340 0.001 0.000 0.208 215 L C 2.283 179.230 176.870 0.129 0.000 1.077 215 L CA 1.719 56.568 54.840 0.014 0.000 0.747 215 L CB -0.921 41.132 42.059 -0.011 0.000 0.896 215 L HN 0.310 nan 8.230 nan 0.000 0.432 216 F N 0.024 120.005 119.950 0.052 0.000 2.259 216 F HA -0.013 4.515 4.527 0.001 0.000 0.298 216 F C 2.372 178.208 175.800 0.061 0.000 1.088 216 F CA 0.647 58.696 58.000 0.081 0.000 1.358 216 F CB -0.957 38.094 39.000 0.085 0.000 1.040 216 F HN 0.189 nan 8.300 nan 0.000 0.505 217 A N -0.087 122.882 122.820 0.248 0.000 1.902 217 A HA -0.205 4.115 4.320 0.001 0.000 0.217 217 A C 2.328 179.993 177.584 0.135 0.000 1.181 217 A CA 1.767 53.880 52.037 0.126 0.000 0.623 217 A CB -0.652 18.405 19.000 0.096 0.000 0.818 217 A HN 0.367 nan 8.150 nan 0.000 0.443 218 M N -1.914 117.771 119.600 0.142 0.000 2.059 218 M HA -0.152 4.328 4.480 0.001 0.000 0.259 218 M C 2.345 178.751 176.300 0.178 0.000 1.072 218 M CA 2.131 57.525 55.300 0.156 0.000 1.117 218 M CB -0.589 31.938 32.600 -0.121 0.000 1.320 218 M HN 0.687 nan 8.290 nan 0.000 0.408 219 H N -0.001 119.091 119.070 0.036 0.000 2.321 219 H HA -0.049 4.507 4.556 0.001 0.000 0.300 219 H C 1.958 177.358 175.328 0.120 0.000 1.087 219 H CA 2.136 58.209 56.048 0.041 0.000 1.319 219 H CB -0.658 29.089 29.762 -0.026 0.000 1.379 219 H HN 0.329 nan 8.280 nan 0.000 0.501 220 G N -0.118 108.732 108.800 0.083 0.000 2.418 220 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 220 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 220 G C 1.909 176.739 174.900 -0.117 0.000 1.158 220 G CA 1.069 46.129 45.100 -0.067 0.000 0.771 220 G HN 0.621 nan 8.290 nan 0.000 0.545 221 A N 0.063 122.851 122.820 -0.053 0.000 1.969 221 A HA 0.046 4.366 4.320 0.001 0.000 0.218 221 A C 2.515 180.035 177.584 -0.107 0.000 1.169 221 A CA 2.309 54.299 52.037 -0.079 0.000 0.635 221 A CB -0.742 18.234 19.000 -0.039 0.000 0.810 221 A HN 0.298 nan 8.150 nan 0.000 0.445 222 T N 0.518 115.040 114.554 -0.053 0.000 2.737 222 T HA -0.092 4.258 4.350 0.001 0.000 0.265 222 T C 1.777 176.428 174.700 -0.082 0.000 1.038 222 T CA 1.414 63.484 62.100 -0.049 0.000 1.144 222 T CB -0.250 68.720 68.868 0.170 0.000 0.866 222 T HN 0.296 nan 8.240 nan 0.000 0.434 223 I N 1.164 121.652 120.570 -0.136 0.000 2.252 223 I HA -0.044 4.127 4.170 0.001 0.000 0.245 223 I C 2.319 178.376 176.117 -0.100 0.000 1.102 223 I CA 1.139 62.368 61.300 -0.119 0.000 1.385 223 I CB -1.265 36.614 38.000 -0.201 0.000 1.064 223 I HN 0.272 nan 8.210 nan 0.000 0.414 224 L N 0.495 121.638 121.223 -0.133 0.000 2.141 224 L HA -0.147 4.193 4.340 0.001 0.000 0.209 224 L C 2.685 179.474 176.870 -0.134 0.000 1.094 224 L CA 1.156 55.911 54.840 -0.142 0.000 0.763 224 L CB -0.616 41.340 42.059 -0.172 0.000 0.908 224 L HN 0.178 nan 8.230 nan 0.000 0.437 225 A N -0.079 122.663 122.820 -0.130 0.000 2.015 225 A HA -0.091 4.229 4.320 0.001 0.000 0.219 225 A C 1.830 179.381 177.584 -0.056 0.000 1.163 225 A CA 1.577 53.539 52.037 -0.125 0.000 0.646 225 A CB -0.414 18.472 19.000 -0.189 0.000 0.806 225 A HN 0.344 nan 8.150 nan 0.000 0.448 226 V N -1.994 117.919 119.914 -0.003 0.000 3.214 226 V HA 0.160 4.280 4.120 0.001 0.000 0.330 226 V C 1.395 177.535 176.094 0.076 0.000 1.403 226 V CA 0.784 63.174 62.300 0.150 0.000 1.143 226 V CB -0.671 31.286 31.823 0.222 0.000 1.098 226 V HN 0.510 nan 8.190 nan 0.000 0.463 227 S N 1.845 117.519 115.700 -0.043 0.000 2.515 227 S HA -0.147 4.323 4.470 0.001 0.000 0.231 227 S C 1.882 176.413 174.600 -0.115 0.000 0.987 227 S CA 0.892 59.062 58.200 -0.050 0.000 0.936 227 S CB -0.625 62.539 63.200 -0.061 0.000 0.766 227 S HN 0.864 nan 8.310 nan 0.000 0.528 228 R N -0.085 120.243 120.500 -0.287 0.000 2.316 228 R HA 0.116 4.456 4.340 0.001 0.000 0.202 228 R C 0.239 176.176 176.300 -0.605 0.000 1.029 228 R CA 0.799 56.612 56.100 -0.478 0.000 1.018 228 R CB -0.578 29.307 30.300 -0.691 0.000 0.888 228 R HN 0.522 nan 8.270 nan 0.000 0.471 229 F N 0.155 120.106 119.950 0.000 0.000 2.683 229 F HA 0.440 4.967 4.527 0.001 0.000 0.306 229 F C 1.143 176.945 175.800 0.003 0.000 1.102 229 F CA -0.344 57.657 58.000 0.002 0.000 1.244 229 F CB 1.117 40.115 39.000 -0.003 0.000 1.029 229 F HN 0.198 nan 8.300 nan 0.000 0.545 230 G N 0.649 109.510 108.800 0.101 0.000 2.176 230 G HA2 -0.263 3.697 3.960 0.001 0.000 0.252 230 G HA3 -0.263 3.697 3.960 0.001 0.000 0.252 230 G C 1.425 176.374 174.900 0.082 0.000 1.024 230 G CA 0.212 45.356 45.100 0.073 0.000 0.755 230 G HN 0.680 nan 8.290 nan 0.000 0.507 231 G N 0.050 108.910 108.800 0.101 0.000 2.470 231 G HA2 0.029 3.989 3.960 0.001 0.000 0.220 231 G HA3 0.029 3.989 3.960 0.001 0.000 0.220 231 G C 1.282 176.221 174.900 0.064 0.000 1.121 231 G CA 1.468 46.624 45.100 0.093 0.000 0.766 231 G HN 0.658 nan 8.290 nan 0.000 0.553 232 E N -0.119 120.103 120.200 0.037 0.000 2.204 232 E HA -0.054 4.297 4.350 0.001 0.000 0.195 232 E C 1.322 177.944 176.600 0.036 0.000 0.990 232 E CA 0.480 56.896 56.400 0.027 0.000 0.821 232 E CB -0.544 29.157 29.700 0.002 0.000 0.750 232 E HN 0.309 nan 8.360 nan 0.000 0.477 233 C N 2.832 122.153 119.300 0.035 0.000 3.585 233 C HA 0.095 4.555 4.460 0.001 0.000 0.575 233 C C 1.326 176.335 174.990 0.031 0.000 1.068 233 C CA -0.455 58.578 59.018 0.025 0.000 1.113 233 C CB -1.894 25.861 27.740 0.024 0.000 1.381 233 C HN 0.371 nan 8.230 nan 0.000 0.635 234 E N 0.759 120.981 120.200 0.037 0.000 2.085 234 E HA -0.187 4.163 4.350 0.001 0.000 0.194 234 E C 1.828 178.426 176.600 -0.004 0.000 0.994 234 E CA 1.112 57.539 56.400 0.046 0.000 0.801 234 E CB -0.006 29.735 29.700 0.068 0.000 0.743 234 E HN 0.737 nan 8.360 nan 0.000 0.453 235 L N 0.825 122.024 121.223 -0.039 0.000 2.093 235 L HA -0.181 4.159 4.340 0.001 0.000 0.208 235 L C 2.641 179.499 176.870 -0.020 0.000 1.085 235 L CA 1.092 55.902 54.840 -0.049 0.000 0.755 235 L CB -0.256 41.766 42.059 -0.062 0.000 0.904 235 L HN 0.185 nan 8.230 nan 0.000 0.435 236 E N -0.478 119.718 120.200 -0.007 0.000 2.072 236 E HA -0.213 4.138 4.350 0.001 0.000 0.190 236 E C 2.178 178.786 176.600 0.013 0.000 0.982 236 E CA 0.753 57.155 56.400 0.003 0.000 0.803 236 E CB 0.206 29.911 29.700 0.008 0.000 0.755 236 E HN 0.416 nan 8.360 nan 0.000 0.453 237 Q N 0.143 119.957 119.800 0.025 0.000 2.224 237 Q HA -0.094 4.246 4.340 0.001 0.000 0.203 237 Q C 2.258 178.277 176.000 0.032 0.000 0.970 237 Q CA 0.782 56.606 55.803 0.035 0.000 0.865 237 Q CB 0.037 28.809 28.738 0.056 0.000 0.922 237 Q HN 0.465 nan 8.270 nan 0.000 0.445 238 I N 0.302 120.887 120.570 0.025 0.000 2.286 238 I HA -0.219 3.952 4.170 0.001 0.000 0.245 238 I C 2.291 178.416 176.117 0.014 0.000 1.104 238 I CA 0.994 62.307 61.300 0.022 0.000 1.397 238 I CB -0.307 37.696 38.000 0.004 0.000 1.072 238 I HN 0.046 nan 8.210 nan 0.000 0.417 239 A N -0.651 122.172 122.820 0.005 0.000 1.929 239 A HA -0.171 4.150 4.320 0.001 0.000 0.216 239 A C 0.974 178.563 177.584 0.008 0.000 1.176 239 A CA 1.526 53.565 52.037 0.003 0.000 0.628 239 A CB -0.137 18.862 19.000 -0.003 0.000 0.816 239 A HN 0.384 nan 8.150 nan 0.000 0.444 240 D N -1.081 119.325 120.400 0.010 0.000 2.405 240 D HA 0.194 4.834 4.640 0.001 0.000 0.264 240 D C -0.281 176.027 176.300 0.014 0.000 1.240 240 D CA -0.494 53.512 54.000 0.011 0.000 0.893 240 D CB -0.012 40.793 40.800 0.009 0.000 1.198 240 D HN 0.238 nan 8.370 nan 0.000 0.514 241 R N 1.343 121.852 120.500 0.015 0.000 2.481 241 R HA 0.262 4.603 4.340 0.001 0.000 0.291 241 R C 0.277 176.580 176.300 0.006 0.000 0.934 241 R CA 0.692 56.801 56.100 0.014 0.000 1.116 241 R CB 0.229 30.537 30.300 0.013 0.000 0.895 241 R HN 0.421 nan 8.270 nan 0.000 0.410 242 G N 0.701 109.504 108.800 0.004 0.000 2.735 242 G HA2 0.107 4.067 3.960 0.001 0.000 0.301 242 G HA3 0.107 4.067 3.960 0.001 0.000 0.301 242 G C 0.456 175.325 174.900 -0.052 0.000 1.279 242 G CA -0.232 44.862 45.100 -0.009 0.000 1.019 242 G HN 0.577 nan 8.290 nan 0.000 0.497 243 T N -0.549 113.946 114.554 -0.098 0.000 2.897 243 T HA -0.062 4.288 4.350 0.001 0.000 0.271 243 T C 2.465 176.971 174.700 -0.324 0.000 1.084 243 T CA 2.426 64.386 62.100 -0.232 0.000 1.123 243 T CB -0.489 68.179 68.868 -0.333 0.000 0.865 243 T HN 0.663 nan 8.240 nan 0.000 0.496 244 A N 1.090 123.815 122.820 -0.160 0.000 1.858 244 A HA 0.243 4.563 4.320 0.001 0.000 0.216 244 A C 2.777 180.345 177.584 -0.026 0.000 1.190 244 A CA 1.921 53.939 52.037 -0.032 0.000 0.617 244 A CB -1.444 17.641 19.000 0.143 0.000 0.827 244 A HN 0.654 nan 8.150 nan 0.000 0.443 245 A N -0.130 122.688 122.820 -0.004 0.000 1.933 245 A HA -0.178 4.142 4.320 0.001 0.000 0.218 245 A C 1.902 179.475 177.584 -0.018 0.000 1.175 245 A CA 1.669 53.717 52.037 0.018 0.000 0.628 245 A CB -0.548 18.472 19.000 0.034 0.000 0.814 245 A HN 0.676 nan 8.150 nan 0.000 0.444 246 E N -0.358 119.801 120.200 -0.069 0.000 2.106 246 E HA -0.160 4.191 4.350 0.001 0.000 0.192 246 E C 2.257 178.767 176.600 -0.151 0.000 0.984 246 E CA 0.973 57.315 56.400 -0.097 0.000 0.806 246 E CB -0.212 29.423 29.700 -0.108 0.000 0.750 246 E HN 0.580 nan 8.360 nan 0.000 0.458 247 R N 0.770 121.158 120.500 -0.185 0.000 2.092 247 R HA -0.015 4.326 4.340 0.001 0.000 0.231 247 R C 2.404 178.634 176.300 -0.117 0.000 1.119 247 R CA 0.975 56.953 56.100 -0.204 0.000 0.970 247 R CB -0.293 29.869 30.300 -0.229 0.000 0.864 247 R HN 0.087 nan 8.270 nan 0.000 0.440 248 A N 1.710 124.509 122.820 -0.034 0.000 1.877 248 A HA -0.090 4.230 4.320 0.001 0.000 0.216 248 A C 2.435 180.106 177.584 0.145 0.000 1.186 248 A CA 1.641 53.718 52.037 0.066 0.000 0.620 248 A CB -0.646 18.418 19.000 0.107 0.000 0.822 248 A HN 0.367 nan 8.150 nan 0.000 0.443 249 A N -0.147 122.712 122.820 0.065 0.000 1.858 249 A HA -0.077 4.244 4.320 0.001 0.000 0.216 249 A C 2.146 179.704 177.584 -0.043 0.000 1.190 249 A CA 1.570 53.642 52.037 0.059 0.000 0.617 249 A CB -0.729 18.280 19.000 0.014 0.000 0.827 249 A HN 0.470 nan 8.150 nan 0.000 0.443 250 L N -1.761 119.320 121.223 -0.237 0.000 2.191 250 L HA -0.150 4.190 4.340 0.001 0.000 0.212 250 L C 2.444 178.879 176.870 -0.725 0.000 1.103 250 L CA 1.307 55.779 54.840 -0.614 0.000 0.769 250 L CB -0.525 40.986 42.059 -0.915 0.000 0.908 250 L HN 0.568 nan 8.230 nan 0.000 0.438 251 F N -0.063 119.565 119.950 -0.537 0.000 2.102 251 F HA -0.227 4.300 4.527 0.001 0.000 0.298 251 F C 1.939 177.440 175.800 -0.499 0.000 1.105 251 F CA 1.555 59.236 58.000 -0.531 0.000 1.239 251 F CB -0.314 38.333 39.000 -0.588 0.000 0.991 251 F HN -0.035 nan 8.300 nan 0.000 0.474 252 W N 0.474 121.732 121.300 -0.070 0.000 2.476 252 W HA 0.063 4.723 4.660 0.000 0.000 0.281 252 W C 2.738 179.134 176.519 -0.204 0.000 1.230 252 W CA 0.950 58.199 57.345 -0.160 0.000 1.287 252 W CB -0.459 28.930 29.460 -0.118 0.000 1.108 252 W HN -0.119 nan 8.180 nan 0.000 0.567 253 R N -0.224 120.287 120.500 0.017 0.000 2.081 253 R HA -0.180 4.160 4.340 0.001 0.000 0.235 253 R C 1.826 178.234 176.300 0.181 0.000 1.131 253 R CA 1.933 58.079 56.100 0.077 0.000 0.960 253 R CB -0.667 29.668 30.300 0.058 0.000 0.856 253 R HN 0.118 nan 8.270 nan 0.000 0.436 254 W N 0.347 121.577 121.300 -0.117 0.000 2.467 254 W HA 0.049 4.709 4.660 -0.000 0.000 0.275 254 W C 2.034 178.426 176.519 -0.212 0.000 1.239 254 W CA 0.860 58.112 57.345 -0.154 0.000 1.266 254 W CB -0.871 28.476 29.460 -0.189 0.000 1.112 254 W HN 0.125 nan 8.180 nan 0.000 0.576 255 T N 0.557 115.037 114.554 -0.122 0.000 2.781 255 T HA -0.079 4.272 4.350 0.001 0.000 0.252 255 T C 1.723 176.421 174.700 -0.003 0.000 1.039 255 T CA 1.676 63.654 62.100 -0.205 0.000 1.147 255 T CB -0.270 68.262 68.868 -0.561 0.000 0.865 255 T HN 0.163 nan 8.240 nan 0.000 0.423 256 M N -0.611 119.044 119.600 0.091 0.000 2.313 256 M HA 0.571 5.052 4.480 0.001 0.000 0.273 256 M C 1.467 177.927 176.300 0.266 0.000 1.049 256 M CA 0.478 55.887 55.300 0.181 0.000 1.004 256 M CB 0.897 33.633 32.600 0.226 0.000 1.461 256 M HN 0.355 nan 8.290 nan 0.000 0.514 257 G N 1.959 110.895 108.800 0.227 0.000 2.279 257 G HA2 -0.242 3.718 3.960 0.001 0.000 0.223 257 G HA3 -0.242 3.718 3.960 0.001 0.000 0.223 257 G C -0.121 175.000 174.900 0.369 0.000 1.015 257 G CA 0.239 45.503 45.100 0.274 0.000 0.621 257 G HN 0.724 nan 8.290 nan 0.000 0.506 258 F N 1.130 121.137 119.950 0.094 0.000 2.675 258 F HA 0.844 5.372 4.527 0.001 0.000 0.324 258 F C -0.587 175.272 175.800 0.097 0.000 1.106 258 F CA -1.520 56.533 58.000 0.088 0.000 0.970 258 F CB 0.846 39.888 39.000 0.071 0.000 1.385 258 F HN 0.433 nan 8.300 nan 0.000 0.489 259 N N 0.642 119.320 118.700 -0.037 0.000 3.277 259 N HA 0.740 5.480 4.740 0.001 0.000 0.278 259 N C -1.717 173.798 175.510 0.009 0.000 1.544 259 N CA -0.620 52.352 53.050 -0.131 0.000 0.869 259 N CB 1.769 40.267 38.487 0.019 0.000 1.584 259 N HN 1.069 nan 8.380 nan 0.000 0.564 260 A N -0.159 122.662 122.820 0.002 0.000 2.616 260 A HA 0.858 5.178 4.320 0.001 0.000 0.253 260 A C -0.240 177.409 177.584 0.109 0.000 1.239 260 A CA -0.138 51.968 52.037 0.115 0.000 0.914 260 A CB 0.561 19.615 19.000 0.089 0.000 1.454 260 A HN 0.901 nan 8.150 nan 0.000 0.460 261 T N -3.613 111.018 114.554 0.128 0.000 2.916 261 T HA 0.453 4.803 4.350 0.001 0.000 0.292 261 T C 0.722 175.494 174.700 0.120 0.000 1.064 261 T CA -0.156 62.009 62.100 0.108 0.000 1.011 261 T CB 1.130 70.059 68.868 0.102 0.000 1.152 261 T HN 0.471 nan 8.240 nan 0.000 0.510 262 M N 0.469 120.143 119.600 0.123 0.000 2.202 262 M HA 0.001 4.481 4.480 0.001 0.000 0.262 262 M C 1.999 178.447 176.300 0.245 0.000 1.063 262 M CA 1.723 57.127 55.300 0.173 0.000 1.097 262 M CB -0.797 31.885 32.600 0.136 0.000 1.382 262 M HN 0.884 nan 8.290 nan 0.000 0.413 263 E N -1.511 118.791 120.200 0.169 0.000 2.075 263 E HA -0.033 4.318 4.350 0.001 0.000 0.190 263 E C 1.973 178.686 176.600 0.188 0.000 0.969 263 E CA 0.854 57.351 56.400 0.161 0.000 0.815 263 E CB -0.401 29.342 29.700 0.071 0.000 0.776 263 E HN 0.570 nan 8.360 nan 0.000 0.457 264 G N 1.825 110.714 108.800 0.148 0.000 2.442 264 G HA2 -0.283 3.677 3.960 0.001 0.000 0.219 264 G HA3 -0.283 3.677 3.960 0.001 0.000 0.219 264 G C 1.544 176.569 174.900 0.208 0.000 1.141 264 G CA 0.888 46.076 45.100 0.148 0.000 0.763 264 G HN 0.338 nan 8.290 nan 0.000 0.554 265 I N 0.786 121.440 120.570 0.141 0.000 2.248 265 I HA -0.184 3.986 4.170 0.001 0.000 0.248 265 I C 2.328 178.322 176.117 -0.205 0.000 1.107 265 I CA 1.370 62.648 61.300 -0.037 0.000 1.373 265 I CB -0.442 37.351 38.000 -0.345 0.000 1.055 265 I HN 0.309 nan 8.210 nan 0.000 0.418 266 H N -0.329 118.701 119.070 -0.066 0.000 2.524 266 H HA 0.073 4.630 4.556 0.000 0.000 0.282 266 H C 2.211 177.535 175.328 -0.006 0.000 1.016 266 H CA 1.000 56.991 56.048 -0.096 0.000 1.270 266 H CB -0.090 29.615 29.762 -0.095 0.000 1.394 266 H HN 0.319 nan 8.280 nan 0.000 0.568 267 R N -0.837 119.747 120.500 0.140 0.000 2.100 267 R HA -0.078 4.262 4.340 0.001 0.000 0.220 267 R C 1.433 177.868 176.300 0.225 0.000 1.091 267 R CA 0.947 57.148 56.100 0.168 0.000 0.986 267 R CB -0.189 30.172 30.300 0.100 0.000 0.888 267 R HN 0.371 nan 8.270 nan 0.000 0.444 268 W N 1.101 122.447 121.300 0.076 0.000 2.358 268 W HA -0.134 4.526 4.660 0.000 0.000 0.303 268 W C 2.518 179.056 176.519 0.032 0.000 1.208 268 W CA 1.272 58.651 57.345 0.058 0.000 1.274 268 W CB -0.187 29.249 29.460 -0.041 0.000 1.138 268 W HN 0.167 nan 8.180 nan 0.000 0.515 269 A N 0.075 122.985 122.820 0.150 0.000 1.855 269 A HA -0.197 4.123 4.320 0.001 0.000 0.215 269 A C 1.895 179.479 177.584 -0.001 0.000 1.191 269 A CA 1.625 53.648 52.037 -0.025 0.000 0.613 269 A CB -1.071 17.777 19.000 -0.254 0.000 0.829 269 A HN 0.325 nan 8.150 nan 0.000 0.442 270 I N -1.882 118.683 120.570 -0.008 0.000 2.208 270 I HA -0.296 3.875 4.170 0.001 0.000 0.245 270 I C 2.282 178.319 176.117 -0.134 0.000 1.097 270 I CA 1.629 62.872 61.300 -0.095 0.000 1.363 270 I CB -0.106 37.801 38.000 -0.155 0.000 1.051 270 I HN 0.615 nan 8.210 nan 0.000 0.413 271 W N -0.259 121.040 121.300 -0.001 0.000 2.418 271 W HA -0.180 4.481 4.660 0.002 0.000 0.292 271 W C 2.414 178.890 176.519 -0.071 0.000 1.213 271 W CA 0.762 58.079 57.345 -0.046 0.000 1.283 271 W CB -0.372 29.045 29.460 -0.071 0.000 1.119 271 W HN 0.154 nan 8.180 nan 0.000 0.542 272 M N 0.998 120.743 119.600 0.242 0.000 2.108 272 M HA -0.132 4.348 4.480 0.001 0.000 0.261 272 M C 2.006 178.391 176.300 0.141 0.000 1.066 272 M CA 2.391 57.826 55.300 0.225 0.000 1.107 272 M CB -0.710 32.041 32.600 0.250 0.000 1.356 272 M HN -0.044 nan 8.290 nan 0.000 0.406 273 A N -1.379 121.492 122.820 0.085 0.000 1.878 273 A HA 0.017 4.337 4.320 0.001 0.000 0.213 273 A C 2.133 179.743 177.584 0.043 0.000 1.192 273 A CA 1.395 53.477 52.037 0.075 0.000 0.619 273 A CB -1.055 17.973 19.000 0.048 0.000 0.837 273 A HN 0.333 nan 8.150 nan 0.000 0.446 274 V N 0.561 120.468 119.914 -0.012 0.000 2.332 274 V HA -0.259 3.861 4.120 0.001 0.000 0.248 274 V C 2.485 178.568 176.094 -0.019 0.000 1.055 274 V CA 1.915 64.197 62.300 -0.031 0.000 1.038 274 V CB -0.768 30.956 31.823 -0.165 0.000 0.651 274 V HN 0.567 nan 8.190 nan 0.000 0.450 275 L N -0.547 120.609 121.223 -0.112 0.000 2.353 275 L HA -0.140 4.201 4.340 0.001 0.000 0.220 275 L C 2.343 179.148 176.870 -0.108 0.000 1.133 275 L CA 0.645 55.306 54.840 -0.300 0.000 0.798 275 L CB -0.636 40.768 42.059 -1.092 0.000 0.922 275 L HN 0.232 nan 8.230 nan 0.000 0.445 276 V N -0.060 119.881 119.914 0.045 0.000 2.255 276 V HA -0.299 3.822 4.120 0.001 0.000 0.247 276 V C 2.612 178.810 176.094 0.173 0.000 1.051 276 V CA 2.580 64.988 62.300 0.180 0.000 1.018 276 V CB -1.000 30.922 31.823 0.165 0.000 0.641 276 V HN 0.662 nan 8.190 nan 0.000 0.445 277 T N -1.955 112.696 114.554 0.162 0.000 3.043 277 T HA 0.003 4.354 4.350 0.001 0.000 0.263 277 T C 1.774 176.671 174.700 0.330 0.000 1.094 277 T CA 0.810 63.034 62.100 0.207 0.000 1.127 277 T CB -0.088 68.897 68.868 0.195 0.000 0.905 277 T HN 0.228 nan 8.240 nan 0.000 0.490 278 L N 2.940 124.319 121.223 0.262 0.000 2.044 278 L HA 0.034 4.374 4.340 0.001 0.000 0.205 278 L C 2.720 179.779 176.870 0.315 0.000 1.075 278 L CA 2.429 57.421 54.840 0.253 0.000 0.747 278 L CB -1.243 40.859 42.059 0.071 0.000 0.903 278 L HN 0.516 nan 8.230 nan 0.000 0.435 279 T N -3.926 110.797 114.554 0.282 0.000 2.857 279 T HA 0.002 4.352 4.350 0.001 0.000 0.266 279 T C 1.967 176.864 174.700 0.329 0.000 1.048 279 T CA 0.693 63.028 62.100 0.391 0.000 1.139 279 T CB -1.283 67.872 68.868 0.478 0.000 0.874 279 T HN 0.351 nan 8.240 nan 0.000 0.455 280 G N 1.362 110.318 108.800 0.260 0.000 2.418 280 G HA2 0.070 4.031 3.960 0.001 0.000 0.217 280 G HA3 0.070 4.031 3.960 0.001 0.000 0.217 280 G C 1.707 176.662 174.900 0.092 0.000 1.158 280 G CA 0.650 45.852 45.100 0.170 0.000 0.771 280 G HN 0.644 nan 8.290 nan 0.000 0.545 281 G N 1.064 109.940 108.800 0.126 0.000 2.418 281 G HA2 -0.172 3.788 3.960 0.001 0.000 0.217 281 G HA3 -0.172 3.788 3.960 0.001 0.000 0.217 281 G C 1.782 176.658 174.900 -0.039 0.000 1.158 281 G CA 0.853 45.833 45.100 -0.200 0.000 0.771 281 G HN 0.444 nan 8.290 nan 0.000 0.545 282 I N 1.289 121.998 120.570 0.232 0.000 2.179 282 I HA -0.110 4.060 4.170 0.001 0.000 0.242 282 I C 3.101 179.067 176.117 -0.251 0.000 1.088 282 I CA 1.085 62.356 61.300 -0.049 0.000 1.357 282 I CB -0.538 37.196 38.000 -0.444 0.000 1.051 282 I HN 0.245 nan 8.210 nan 0.000 0.409 283 G N 1.206 109.887 108.800 -0.199 0.000 2.442 283 G HA2 -0.194 3.766 3.960 0.001 0.000 0.219 283 G HA3 -0.194 3.766 3.960 0.001 0.000 0.219 283 G C 1.582 176.484 174.900 0.003 0.000 1.141 283 G CA 0.539 45.588 45.100 -0.086 0.000 0.763 283 G HN 0.208 nan 8.290 nan 0.000 0.554 284 I N 0.169 120.733 120.570 -0.010 0.000 2.333 284 I HA 0.032 4.202 4.170 0.001 0.000 0.246 284 I C 2.549 178.709 176.117 0.072 0.000 1.106 284 I CA 0.478 61.796 61.300 0.030 0.000 1.411 284 I CB -0.979 36.957 38.000 -0.107 0.000 1.082 284 I HN 0.140 nan 8.210 nan 0.000 0.420 285 L N 0.843 122.053 121.223 -0.022 0.000 2.131 285 L HA -0.119 4.221 4.340 0.001 0.000 0.210 285 L C 2.191 179.092 176.870 0.052 0.000 1.092 285 L CA 1.706 56.540 54.840 -0.009 0.000 0.759 285 L CB -0.463 41.572 42.059 -0.040 0.000 0.903 285 L HN 0.127 nan 8.230 nan 0.000 0.435 286 L N -1.346 119.929 121.223 0.087 0.000 2.418 286 L HA 0.037 4.377 4.340 0.001 0.000 0.218 286 L C 0.803 177.763 176.870 0.151 0.000 1.125 286 L CA -0.093 54.823 54.840 0.126 0.000 0.835 286 L CB -0.327 41.850 42.059 0.197 0.000 0.953 286 L HN 0.056 nan 8.230 nan 0.000 0.454 287 S N 0.348 116.176 115.700 0.214 0.000 2.455 287 S HA 0.392 4.862 4.470 0.001 0.000 0.278 287 S C 1.093 175.652 174.600 -0.069 0.000 1.216 287 S CA 0.407 58.643 58.200 0.060 0.000 1.055 287 S CB 0.960 64.146 63.200 -0.024 0.000 0.939 287 S HN 0.549 nan 8.310 nan 0.000 0.494 288 G N 2.980 111.799 108.800 0.033 0.000 2.241 288 G HA2 -0.343 3.618 3.960 0.001 0.000 0.244 288 G HA3 -0.343 3.618 3.960 0.001 0.000 0.244 288 G C 0.935 175.843 174.900 0.013 0.000 0.998 288 G CA 0.788 45.953 45.100 0.109 0.000 0.621 288 G HN 0.825 nan 8.290 nan 0.000 0.519 289 T N -2.973 111.580 114.554 -0.002 0.000 3.046 289 T HA 0.447 4.798 4.350 0.001 0.000 0.242 289 T C 2.020 176.703 174.700 -0.027 0.000 1.018 289 T CA 1.749 63.843 62.100 -0.011 0.000 1.131 289 T CB 0.304 69.175 68.868 0.004 0.000 0.904 289 T HN 0.596 nan 8.240 nan 0.000 0.459 290 V N 0.393 120.280 119.914 -0.045 0.000 3.219 290 V HA 0.404 4.525 4.120 0.001 0.000 0.240 290 V C 0.256 176.265 176.094 -0.141 0.000 1.222 290 V CA -0.050 62.215 62.300 -0.058 0.000 1.181 290 V CB 1.152 32.961 31.823 -0.025 0.000 0.941 290 V HN 0.328 nan 8.190 nan 0.000 0.471 291 V N 0.848 120.595 119.914 -0.279 0.000 2.531 291 V HA 0.447 4.568 4.120 0.001 0.000 0.301 291 V C 0.073 175.932 176.094 -0.392 0.000 1.034 291 V CA -0.395 61.602 62.300 -0.504 0.000 0.865 291 V CB 1.861 32.898 31.823 -1.309 0.000 0.995 291 V HN 0.252 nan 8.190 nan 0.000 0.424 292 D N 2.207 122.448 120.400 -0.266 0.000 2.355 292 D HA 0.076 4.716 4.640 0.001 0.000 0.206 292 D C 0.394 176.582 176.300 -0.186 0.000 1.010 292 D CA 0.702 54.600 54.000 -0.170 0.000 0.875 292 D CB 0.613 41.326 40.800 -0.146 0.000 0.966 292 D HN 0.493 nan 8.370 nan 0.000 0.512 293 N N -0.319 118.246 118.700 -0.225 0.000 2.549 293 N HA 0.009 4.749 4.740 0.001 0.000 0.290 293 N C -0.140 175.328 175.510 -0.070 0.000 1.122 293 N CA -0.392 52.608 53.050 -0.083 0.000 0.885 293 N CB 0.598 39.085 38.487 -0.001 0.000 1.455 293 N HN -0.129 nan 8.380 nan 0.000 0.521 294 W N 1.944 123.374 121.300 0.217 0.000 2.402 294 W HA -0.092 4.568 4.660 0.000 0.000 0.286 294 W C 1.807 178.521 176.519 0.325 0.000 1.221 294 W CA 0.439 57.953 57.345 0.282 0.000 1.257 294 W CB -0.243 29.377 29.460 0.266 0.000 1.120 294 W HN 0.675 nan 8.180 nan 0.000 0.551 295 Y N 0.663 121.130 120.300 0.279 0.000 2.145 295 Y HA -0.261 4.290 4.550 0.001 0.000 0.286 295 Y C 2.164 178.026 175.900 -0.064 0.000 1.145 295 Y CA 1.905 59.901 58.100 -0.173 0.000 1.148 295 Y CB -0.870 37.449 38.460 -0.235 0.000 0.981 295 Y HN -0.207 nan 8.280 nan 0.000 0.507 296 V N -0.540 119.329 119.914 -0.076 0.000 2.295 296 V HA -0.296 3.824 4.120 0.001 0.000 0.246 296 V C 2.125 178.164 176.094 -0.091 0.000 1.049 296 V CA 1.994 64.195 62.300 -0.166 0.000 1.024 296 V CB -1.133 30.674 31.823 -0.028 0.000 0.648 296 V HN 0.719 nan 8.190 nan 0.000 0.447 297 W N 1.433 122.656 121.300 -0.128 0.000 2.338 297 W HA -0.120 4.540 4.660 0.000 0.000 0.304 297 W C 2.296 178.814 176.519 -0.002 0.000 1.212 297 W CA 1.894 59.196 57.345 -0.072 0.000 1.264 297 W CB -0.641 28.762 29.460 -0.095 0.000 1.142 297 W HN 0.242 nan 8.180 nan 0.000 0.512 298 G N -0.276 108.659 108.800 0.225 0.000 2.432 298 G HA2 -0.278 3.682 3.960 0.001 0.000 0.219 298 G HA3 -0.278 3.682 3.960 0.001 0.000 0.219 298 G C 1.406 176.195 174.900 -0.185 0.000 1.135 298 G CA 0.898 46.033 45.100 0.059 0.000 0.767 298 G HN 0.257 nan 8.290 nan 0.000 0.550 299 Q N 0.447 120.064 119.800 -0.305 0.000 2.226 299 Q HA -0.044 4.296 4.340 0.001 0.000 0.204 299 Q C 1.145 177.002 176.000 -0.238 0.000 0.975 299 Q CA 0.917 56.533 55.803 -0.312 0.000 0.866 299 Q CB -0.232 28.257 28.738 -0.415 0.000 0.915 299 Q HN 0.646 nan 8.270 nan 0.000 0.440 300 N N 0.133 118.668 118.700 -0.275 0.000 2.321 300 N HA 0.025 4.765 4.740 0.001 0.000 0.242 300 N C -0.132 175.196 175.510 -0.304 0.000 1.141 300 N CA -0.098 52.800 53.050 -0.255 0.000 0.864 300 N CB 0.541 38.891 38.487 -0.229 0.000 1.100 300 N HN 0.138 nan 8.380 nan 0.000 0.510 301 H N 0.000 118.793 119.070 -0.462 0.000 2.539 301 H HA 0.000 4.556 4.556 0.001 0.000 0.296 301 H CA 0.000 55.758 56.048 -0.484 0.000 1.023 301 H CB 0.000 29.150 29.762 -1.019 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496