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 2prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYDSWM DATA SEQUENCE GYEASSFGDA QSSFFWYNSK YDASGALDNY NGIAVTYSIS GVNLYLSYVD DATA SEQUENCE PDQTVDSSLV TEEFGIAADW SNDMISLAAA YTTDAGGIVD NDIAFVGAAY DATA SEQUENCE KFNDAGTVGL NWYDNGLSTA GDQVTLYGNY AFGATTVRAY VSDIDRAGAD DATA SEQUENCE TAYGIGADYQ FAEGVKVSGS VQSGFANETV ADVGVRFDF 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.323 55.300 0.039 0.000 0.988 1 M CB 0.000 32.630 32.600 0.050 0.000 1.302 2 I N 3.290 123.884 120.570 0.041 0.000 2.436 2 I HA 0.505 4.677 4.170 0.004 0.000 0.289 2 I C -0.446 175.704 176.117 0.055 0.000 1.010 2 I CA -0.347 60.979 61.300 0.044 0.000 1.098 2 I CB 2.330 40.350 38.000 0.034 0.000 1.266 2 I HN 0.720 nan 8.210 nan 0.000 0.434 3 S N 6.929 122.670 115.700 0.069 0.000 2.566 3 S HA 0.768 5.241 4.470 0.004 0.000 0.298 3 S C -0.710 173.938 174.600 0.080 0.000 1.083 3 S CA -0.952 57.292 58.200 0.074 0.000 0.978 3 S CB 2.172 65.422 63.200 0.083 0.000 1.073 3 S HN 0.363 nan 8.310 nan 0.000 0.491 4 L N 2.405 123.679 121.223 0.085 0.000 2.365 4 L HA 0.646 4.989 4.340 0.004 0.000 0.273 4 L C -0.738 176.210 176.870 0.129 0.000 1.000 4 L CA -0.699 54.200 54.840 0.098 0.000 0.819 4 L CB 1.565 43.678 42.059 0.090 0.000 1.284 4 L HN 1.010 nan 8.230 nan 0.000 0.418 5 N N 1.092 119.874 118.700 0.138 0.000 2.825 5 N HA 0.896 5.639 4.740 0.004 0.000 0.253 5 N C -0.650 174.937 175.510 0.128 0.000 1.426 5 N CA -0.462 52.680 53.050 0.153 0.000 0.851 5 N CB 2.438 40.979 38.487 0.090 0.000 1.470 5 N HN 0.728 nan 8.380 nan 0.000 0.517 6 G N -1.588 107.208 108.800 -0.006 0.000 2.325 6 G HA2 0.446 4.409 3.960 0.004 0.000 0.295 6 G HA3 0.446 4.409 3.960 0.004 0.000 0.295 6 G C -2.333 172.077 174.900 -0.817 0.000 1.274 6 G CA -0.314 44.643 45.100 -0.239 0.000 0.857 6 G HN 1.227 nan 8.290 nan 0.000 0.499 7 Y N -1.905 117.861 120.300 -0.889 0.000 2.624 7 Y HA 0.804 5.356 4.550 0.005 0.000 0.334 7 Y C -0.113 175.435 175.900 -0.586 0.000 1.155 7 Y CA -1.071 56.401 58.100 -1.046 0.000 1.046 7 Y CB 1.152 39.274 38.460 -0.562 0.000 1.316 7 Y HN 1.304 nan 8.280 nan 0.000 0.457 8 G N 1.583 110.064 108.800 -0.531 0.000 2.482 8 G HA2 0.736 4.698 3.960 0.004 0.000 0.317 8 G HA3 0.736 4.698 3.960 0.004 0.000 0.317 8 G C -1.701 172.957 174.900 -0.403 0.000 1.241 8 G CA -1.454 43.397 45.100 -0.415 0.000 0.967 8 G HN 1.037 nan 8.290 nan 0.000 0.482 9 R N -0.153 120.391 120.500 0.072 0.000 2.626 9 R HA 0.780 5.123 4.340 0.004 0.000 0.274 9 R C -1.712 174.830 176.300 0.402 0.000 1.031 9 R CA -0.932 55.272 56.100 0.173 0.000 0.898 9 R CB 1.757 32.181 30.300 0.206 0.000 1.222 9 R HN 0.788 nan 8.270 nan 0.000 0.455 10 F N -0.805 119.283 119.950 0.229 0.000 2.654 10 F HA 0.912 5.442 4.527 0.005 0.000 0.308 10 F C -0.501 175.149 175.800 -0.250 0.000 1.108 10 F CA -0.250 57.840 58.000 0.150 0.000 0.957 10 F CB 1.715 40.816 39.000 0.168 0.000 1.309 10 F HN 0.981 nan 8.300 nan 0.000 0.446 11 G N 1.057 109.832 108.800 -0.042 0.000 2.356 11 G HA2 0.433 4.395 3.960 0.004 0.000 0.281 11 G HA3 0.433 4.395 3.960 0.004 0.000 0.281 11 G C -2.454 172.456 174.900 0.017 0.000 1.246 11 G CA -1.001 43.885 45.100 -0.357 0.000 0.889 11 G HN 0.825 nan 8.290 nan 0.000 0.486 12 L N 0.788 122.020 121.223 0.015 0.000 2.317 12 L HA 0.686 5.028 4.340 0.004 0.000 0.281 12 L C -0.048 176.983 176.870 0.267 0.000 1.024 12 L CA -0.595 54.333 54.840 0.146 0.000 0.810 12 L CB 2.001 44.114 42.059 0.092 0.000 1.240 12 L HN 0.573 nan 8.230 nan 0.000 0.427 13 Q N 2.961 122.897 119.800 0.226 0.000 2.320 13 Q HA 0.283 4.626 4.340 0.004 0.000 0.268 13 Q C -1.990 174.114 176.000 0.173 0.000 1.023 13 Q CA -0.670 55.244 55.803 0.186 0.000 0.744 13 Q CB 2.033 30.836 28.738 0.108 0.000 1.246 13 Q HN 0.578 nan 8.270 nan 0.000 0.462 14 Y N 3.694 124.024 120.300 0.049 0.000 2.335 14 Y HA 0.555 5.107 4.550 0.004 0.000 0.338 14 Y C -1.584 174.330 175.900 0.024 0.000 0.977 14 Y CA -0.594 57.526 58.100 0.034 0.000 1.114 14 Y CB 1.358 39.840 38.460 0.036 0.000 1.182 14 Y HN 0.332 nan 8.280 nan 0.000 0.463 15 V N 6.840 126.380 119.914 -0.624 0.000 2.380 15 V HA 0.172 4.295 4.120 0.004 0.000 0.286 15 V C -0.319 175.331 176.094 -0.740 0.000 1.015 15 V CA -1.091 60.904 62.300 -0.508 0.000 0.834 15 V CB 1.271 32.958 31.823 -0.228 0.000 1.009 15 V HN 0.820 nan 8.190 nan 0.000 0.428 16 E N 4.354 124.106 120.200 -0.746 0.000 2.480 16 E HA -0.025 4.328 4.350 0.004 0.000 0.258 16 E C -0.225 176.252 176.600 -0.206 0.000 0.984 16 E CA 0.239 56.380 56.400 -0.432 0.000 0.930 16 E CB 0.226 29.875 29.700 -0.086 0.000 0.936 16 E HN 0.729 nan 8.360 nan 0.000 0.466 17 D N 3.082 123.402 120.400 -0.133 0.000 2.697 17 D HA -0.244 4.398 4.640 0.004 0.000 0.238 17 D C 0.780 177.031 176.300 -0.082 0.000 1.152 17 D CA 0.773 54.730 54.000 -0.071 0.000 0.666 17 D CB -0.640 40.138 40.800 -0.036 0.000 1.037 17 D HN 0.637 nan 8.370 nan 0.000 0.423 18 R N 0.305 120.742 120.500 -0.105 0.000 2.105 18 R HA -0.038 4.304 4.340 0.004 0.000 0.239 18 R C 1.179 177.446 176.300 -0.054 0.000 1.135 18 R CA 1.796 57.843 56.100 -0.088 0.000 0.967 18 R CB 0.159 30.403 30.300 -0.093 0.000 0.861 18 R HN 0.439 nan 8.270 nan 0.000 0.442 19 G N -1.602 107.174 108.800 -0.041 0.000 2.361 19 G HA2 0.119 4.081 3.960 0.004 0.000 0.299 19 G HA3 0.119 4.081 3.960 0.004 0.000 0.299 19 G C -1.788 173.101 174.900 -0.019 0.000 1.544 19 G CA -0.750 44.333 45.100 -0.028 0.000 0.860 19 G HN 0.037 nan 8.290 nan 0.000 0.610 20 V N 1.436 121.341 119.914 -0.015 0.000 2.485 20 V HA 0.436 4.558 4.120 0.004 0.000 0.287 20 V C 1.639 177.728 176.094 -0.008 0.000 1.022 20 V CA 2.460 64.755 62.300 -0.009 0.000 1.067 20 V CB 0.647 32.466 31.823 -0.007 0.000 0.967 20 V HN 2.676 nan 8.190 nan 0.000 0.479 21 G N 4.845 113.643 108.800 -0.004 0.000 2.159 21 G HA2 -0.211 3.752 3.960 0.004 0.000 0.256 21 G HA3 -0.211 3.752 3.960 0.004 0.000 0.256 21 G C -0.098 174.801 174.900 -0.003 0.000 0.977 21 G CA 0.373 45.471 45.100 -0.002 0.000 0.652 21 G HN 0.674 nan 8.290 nan 0.000 0.531 22 L N -0.204 121.015 121.223 -0.006 0.000 2.334 22 L HA 0.707 5.050 4.340 0.004 0.000 0.272 22 L C 0.360 177.229 176.870 -0.002 0.000 1.020 22 L CA -1.214 53.621 54.840 -0.008 0.000 0.812 22 L CB 1.552 43.599 42.059 -0.019 0.000 1.264 22 L HN 0.051 nan 8.230 nan 0.000 0.439 23 E N 0.666 120.869 120.200 0.004 0.000 2.289 23 E HA 0.041 4.394 4.350 0.004 0.000 0.278 23 E C 0.027 176.633 176.600 0.010 0.000 1.032 23 E CA 0.038 56.449 56.400 0.018 0.000 0.854 23 E CB 0.977 30.693 29.700 0.027 0.000 1.046 23 E HN 0.381 nan 8.360 nan 0.000 0.409 24 D N 1.869 122.282 120.400 0.023 0.000 2.183 24 D HA -0.037 4.606 4.640 0.004 0.000 0.203 24 D C -0.171 176.143 176.300 0.024 0.000 0.969 24 D CA 1.013 54.996 54.000 -0.028 0.000 0.842 24 D CB 0.237 41.041 40.800 0.007 0.000 0.957 24 D HN 0.323 nan 8.370 nan 0.000 0.484 25 T N 1.494 116.129 114.554 0.134 0.000 2.771 25 T HA 0.553 4.906 4.350 0.004 0.000 0.281 25 T C 0.370 175.132 174.700 0.102 0.000 0.982 25 T CA -0.591 61.611 62.100 0.171 0.000 0.978 25 T CB 1.217 70.210 68.868 0.210 0.000 0.930 25 T HN 0.030 nan 8.240 nan 0.000 0.447 26 I N -0.327 120.300 120.570 0.096 0.000 3.145 26 I HA 0.678 4.851 4.170 0.004 0.000 0.313 26 I C -0.991 175.191 176.117 0.109 0.000 1.122 26 I CA -1.753 59.596 61.300 0.082 0.000 0.987 26 I CB 1.820 39.853 38.000 0.054 0.000 1.236 26 I HN 0.434 nan 8.210 nan 0.000 0.453 27 I N 2.775 123.410 120.570 0.108 0.000 2.291 27 I HA 0.198 4.371 4.170 0.004 0.000 0.292 27 I C 0.232 176.449 176.117 0.167 0.000 1.064 27 I CA 0.142 61.528 61.300 0.143 0.000 1.269 27 I CB 1.169 39.246 38.000 0.128 0.000 1.418 27 I HN 0.589 nan 8.210 nan 0.000 0.485 28 S N 5.442 121.275 115.700 0.222 0.000 2.462 28 S HA 0.723 5.195 4.470 0.004 0.000 0.294 28 S C -0.285 174.499 174.600 0.305 0.000 1.144 28 S CA -0.438 57.882 58.200 0.199 0.000 1.088 28 S CB 0.732 64.022 63.200 0.150 0.000 1.009 28 S HN 0.678 nan 8.310 nan 0.000 0.484 29 S N 4.084 119.920 115.700 0.226 0.000 2.607 29 S HA 0.757 5.229 4.470 0.004 0.000 0.273 29 S C -0.988 173.743 174.600 0.218 0.000 1.148 29 S CA -1.093 57.311 58.200 0.340 0.000 0.833 29 S CB 1.755 65.235 63.200 0.467 0.000 1.130 29 S HN 0.915 nan 8.310 nan 0.000 0.470 30 R N 0.395 121.067 120.500 0.286 0.000 2.584 30 R HA 0.661 5.004 4.340 0.004 0.000 0.276 30 R C -2.339 174.107 176.300 0.244 0.000 1.046 30 R CA -0.846 55.369 56.100 0.190 0.000 0.906 30 R CB 1.514 31.868 30.300 0.091 0.000 1.215 30 R HN 0.724 nan 8.270 nan 0.000 0.449 31 L N 3.783 125.173 121.223 0.278 0.000 2.333 31 L HA 0.610 4.952 4.340 0.004 0.000 0.280 31 L C -1.174 175.680 176.870 -0.026 0.000 1.004 31 L CA -0.279 54.654 54.840 0.155 0.000 0.820 31 L CB 1.533 43.730 42.059 0.229 0.000 1.247 31 L HN 0.724 nan 8.230 nan 0.000 0.416 32 R N 6.047 126.386 120.500 -0.268 0.000 2.513 32 R HA 0.649 4.991 4.340 0.004 0.000 0.301 32 R C -1.767 174.443 176.300 -0.149 0.000 0.968 32 R CA -0.684 55.216 56.100 -0.332 0.000 0.872 32 R CB 1.207 31.069 30.300 -0.731 0.000 1.177 32 R HN 0.662 nan 8.270 nan 0.000 0.444 33 I N 4.120 124.676 120.570 -0.023 0.000 2.418 33 I HA 0.318 4.491 4.170 0.004 0.000 0.287 33 I C -0.768 175.371 176.117 0.036 0.000 1.008 33 I CA -0.927 60.410 61.300 0.061 0.000 1.104 33 I CB 1.684 39.739 38.000 0.092 0.000 1.264 33 I HN 0.613 nan 8.210 nan 0.000 0.438 34 N N 7.261 125.989 118.700 0.046 0.000 2.400 34 N HA 0.537 5.279 4.740 0.004 0.000 0.288 34 N C -0.545 175.008 175.510 0.071 0.000 1.024 34 N CA -0.387 52.695 53.050 0.053 0.000 0.894 34 N CB 2.684 41.195 38.487 0.040 0.000 1.173 34 N HN 0.454 nan 8.380 nan 0.000 0.487 35 I N 1.887 122.499 120.570 0.070 0.000 2.330 35 I HA 0.298 4.471 4.170 0.004 0.000 0.289 35 I C -0.415 175.749 176.117 0.079 0.000 1.001 35 I CA -0.882 60.458 61.300 0.066 0.000 1.193 35 I CB 1.383 39.412 38.000 0.048 0.000 1.345 35 I HN -0.028 nan 8.210 nan 0.000 0.461 36 V N 5.187 125.157 119.914 0.094 0.000 2.409 36 V HA 0.579 4.702 4.120 0.004 0.000 0.291 36 V C 0.510 176.653 176.094 0.082 0.000 1.020 36 V CA -0.548 61.828 62.300 0.128 0.000 0.848 36 V CB 1.601 33.546 31.823 0.202 0.000 0.990 36 V HN 0.875 nan 8.190 nan 0.000 0.430 37 G N 2.723 111.537 108.800 0.024 0.000 2.343 37 G HA2 0.671 4.633 3.960 0.004 0.000 0.319 37 G HA3 0.671 4.633 3.960 0.004 0.000 0.319 37 G C -0.199 174.676 174.900 -0.041 0.000 1.126 37 G CA -0.302 44.795 45.100 -0.005 0.000 0.889 37 G HN 0.783 nan 8.290 nan 0.000 0.457 38 T N -1.339 113.221 114.554 0.010 0.000 2.893 38 T HA 0.692 5.044 4.350 0.004 0.000 0.293 38 T C -0.539 174.190 174.700 0.049 0.000 1.027 38 T CA -0.759 61.354 62.100 0.022 0.000 0.988 38 T CB 2.166 71.098 68.868 0.107 0.000 1.043 38 T HN 0.295 nan 8.240 nan 0.000 0.461 39 T N 2.821 117.422 114.554 0.079 0.000 2.864 39 T HA 0.396 4.749 4.350 0.004 0.000 0.310 39 T C -0.437 174.365 174.700 0.170 0.000 1.040 39 T CA -0.659 61.505 62.100 0.105 0.000 0.977 39 T CB 0.930 69.847 68.868 0.082 0.000 0.976 39 T HN 0.681 nan 8.240 nan 0.000 0.459 40 E N 2.283 122.562 120.200 0.131 0.000 2.301 40 E HA 0.511 4.863 4.350 0.004 0.000 0.275 40 E C 0.320 177.000 176.600 0.134 0.000 1.030 40 E CA -0.648 55.833 56.400 0.134 0.000 0.852 40 E CB 1.069 30.830 29.700 0.102 0.000 1.060 40 E HN 0.661 nan 8.360 nan 0.000 0.401 41 T N -1.538 113.103 114.554 0.145 0.000 2.930 41 T HA 0.178 4.531 4.350 0.004 0.000 0.290 41 T C 0.441 175.202 174.700 0.102 0.000 1.052 41 T CA -0.904 61.273 62.100 0.128 0.000 1.017 41 T CB 1.325 70.292 68.868 0.166 0.000 1.137 41 T HN 0.435 nan 8.240 nan 0.000 0.511 42 D N -0.146 120.303 120.400 0.081 0.000 2.363 42 D HA -0.077 4.565 4.640 0.004 0.000 0.220 42 D C 1.460 177.808 176.300 0.079 0.000 0.994 42 D CA 0.450 54.492 54.000 0.071 0.000 0.890 42 D CB -0.103 40.729 40.800 0.054 0.000 0.906 42 D HN 0.481 nan 8.370 nan 0.000 0.530 43 Q N 0.014 119.866 119.800 0.086 0.000 2.451 43 Q HA 0.167 4.510 4.340 0.004 0.000 0.206 43 Q C 1.473 177.561 176.000 0.147 0.000 0.947 43 Q CA 0.894 56.749 55.803 0.087 0.000 0.937 43 Q CB 0.353 29.118 28.738 0.046 0.000 1.025 43 Q HN 0.547 nan 8.270 nan 0.000 0.511 44 G N 0.387 109.281 108.800 0.156 0.000 2.157 44 G HA2 -0.231 3.732 3.960 0.004 0.000 0.239 44 G HA3 -0.231 3.732 3.960 0.004 0.000 0.239 44 G C 0.059 175.124 174.900 0.274 0.000 0.982 44 G CA 0.177 45.405 45.100 0.212 0.000 0.650 44 G HN 0.210 nan 8.290 nan 0.000 0.527 45 V N 1.471 121.486 119.914 0.168 0.000 2.407 45 V HA 0.653 4.775 4.120 0.004 0.000 0.278 45 V C 0.546 176.637 176.094 -0.005 0.000 1.037 45 V CA -0.013 62.314 62.300 0.045 0.000 0.900 45 V CB 1.583 33.339 31.823 -0.112 0.000 0.983 45 V HN 0.269 nan 8.190 nan 0.000 0.459 46 T N 5.705 120.220 114.554 -0.066 0.000 2.824 46 T HA 0.674 5.027 4.350 0.004 0.000 0.280 46 T C -0.699 173.860 174.700 -0.235 0.000 0.995 46 T CA -0.072 62.031 62.100 0.006 0.000 1.009 46 T CB 0.734 69.686 68.868 0.141 0.000 0.955 46 T HN 0.300 nan 8.240 nan 0.000 0.452 47 F N 1.245 121.181 119.950 -0.024 0.000 2.469 47 F HA 0.726 5.256 4.527 0.005 0.000 0.332 47 F C 0.853 176.404 175.800 -0.414 0.000 1.103 47 F CA -0.610 57.283 58.000 -0.177 0.000 0.979 47 F CB 2.028 40.962 39.000 -0.111 0.000 1.137 47 F HN 0.710 nan 8.300 nan 0.000 0.463 48 G N 0.444 108.733 108.800 -0.852 0.000 2.660 48 G HA2 0.789 4.752 3.960 0.004 0.000 0.294 48 G HA3 0.789 4.752 3.960 0.004 0.000 0.294 48 G C -2.159 171.972 174.900 -1.282 0.000 1.369 48 G CA -0.964 43.309 45.100 -1.379 0.000 0.912 48 G HN 0.879 nan 8.290 nan 0.000 0.479 49 A N 0.457 122.779 122.820 -0.831 0.000 2.486 49 A HA 0.910 5.232 4.320 0.004 0.000 0.300 49 A C -0.674 176.801 177.584 -0.181 0.000 1.048 49 A CA -0.705 51.065 52.037 -0.445 0.000 0.696 49 A CB 2.086 20.940 19.000 -0.243 0.000 1.278 49 A HN 1.230 nan 8.150 nan 0.000 0.405 50 K N 1.184 121.553 120.400 -0.052 0.000 2.498 50 K HA 0.803 5.126 4.320 0.004 0.000 0.254 50 K C -2.150 174.471 176.600 0.034 0.000 0.933 50 K CA -0.639 55.705 56.287 0.095 0.000 0.806 50 K CB 1.946 34.617 32.500 0.286 0.000 1.301 50 K HN 0.636 nan 8.250 nan 0.000 0.432 51 L N 2.024 123.278 121.223 0.053 0.000 2.370 51 L HA 0.607 4.949 4.340 0.004 0.000 0.266 51 L C -1.231 175.687 176.870 0.080 0.000 1.002 51 L CA -0.489 54.379 54.840 0.047 0.000 0.818 51 L CB 2.150 44.217 42.059 0.013 0.000 1.325 51 L HN 0.858 nan 8.230 nan 0.000 0.418 52 R N 4.188 124.737 120.500 0.082 0.000 2.599 52 R HA 0.738 5.081 4.340 0.004 0.000 0.295 52 R C -1.634 174.690 176.300 0.039 0.000 0.963 52 R CA -0.574 55.570 56.100 0.072 0.000 0.883 52 R CB 1.489 31.860 30.300 0.120 0.000 1.171 52 R HN 0.738 nan 8.270 nan 0.000 0.450 53 M N 3.872 123.494 119.600 0.037 0.000 2.085 53 M HA 0.287 4.770 4.480 0.004 0.000 0.309 53 M C -1.042 175.285 176.300 0.045 0.000 0.947 53 M CA -0.396 54.933 55.300 0.048 0.000 0.918 53 M CB 2.110 34.742 32.600 0.053 0.000 1.504 53 M HN 0.517 nan 8.290 nan 0.000 0.420 54 Q N 2.532 122.362 119.800 0.050 0.000 2.323 54 Q HA 0.480 4.823 4.340 0.004 0.000 0.271 54 Q C -2.155 173.919 176.000 0.122 0.000 1.048 54 Q CA -0.630 55.194 55.803 0.035 0.000 0.792 54 Q CB 2.692 31.397 28.738 -0.055 0.000 1.280 54 Q HN 0.755 nan 8.270 nan 0.000 0.441 55 W N 3.632 124.913 121.300 -0.031 0.000 2.702 55 W HA 0.507 5.169 4.660 0.004 0.000 0.331 55 W C -1.532 174.979 176.519 -0.014 0.000 1.049 55 W CA -0.256 57.086 57.345 -0.005 0.000 1.230 55 W CB 1.557 31.026 29.460 0.015 0.000 1.408 55 W HN 0.634 nan 8.180 nan 0.000 0.492 56 D N 3.792 123.554 120.400 -1.064 0.000 2.575 56 D HA 0.110 4.752 4.640 0.004 0.000 0.236 56 D C -0.640 174.641 176.300 -1.697 0.000 1.075 56 D CA -0.449 52.900 54.000 -1.085 0.000 0.860 56 D CB 1.465 41.947 40.800 -0.530 0.000 1.475 56 D HN 0.372 nan 8.370 nan 0.000 0.474 57 D N 1.067 120.723 120.400 -1.240 0.000 2.488 57 D HA 0.166 4.809 4.640 0.004 0.000 0.238 57 D C 1.012 177.069 176.300 -0.404 0.000 1.138 57 D CA 0.307 53.905 54.000 -0.670 0.000 0.873 57 D CB 1.077 41.791 40.800 -0.143 0.000 1.183 57 D HN 0.675 nan 8.370 nan 0.000 0.458 58 G N 2.274 110.956 108.800 -0.197 0.000 2.225 58 G HA2 -0.251 3.712 3.960 0.004 0.000 0.254 58 G HA3 -0.251 3.712 3.960 0.004 0.000 0.254 58 G C 0.045 174.845 174.900 -0.168 0.000 0.988 58 G CA 0.197 45.212 45.100 -0.142 0.000 0.625 58 G HN 0.690 nan 8.290 nan 0.000 0.527 59 D N 1.519 121.763 120.400 -0.261 0.000 2.472 59 D HA 0.491 5.134 4.640 0.004 0.000 0.237 59 D C 1.083 177.343 176.300 -0.067 0.000 1.141 59 D CA 0.916 54.806 54.000 -0.183 0.000 0.875 59 D CB 0.929 41.608 40.800 -0.202 0.000 1.192 59 D HN 0.824 nan 8.370 nan 0.000 0.450 60 A N 2.171 124.911 122.820 -0.134 0.000 2.531 60 A HA 0.237 4.559 4.320 0.004 0.000 0.236 60 A C 0.347 177.825 177.584 -0.178 0.000 1.062 60 A CA -0.125 51.692 52.037 -0.367 0.000 0.760 60 A CB -0.382 18.227 19.000 -0.651 0.000 0.995 60 A HN 0.621 nan 8.150 nan 0.000 0.501 61 F N -0.478 119.529 119.950 0.095 0.000 2.825 61 F HA -0.271 4.259 4.527 0.004 0.000 0.358 61 F C 1.357 177.222 175.800 0.108 0.000 0.639 61 F CA 1.278 59.328 58.000 0.084 0.000 1.153 61 F CB -2.111 36.926 39.000 0.062 0.000 1.610 61 F HN 2.007 nan 8.300 nan 0.000 0.305 62 A N -0.751 122.231 122.820 0.269 0.000 2.687 62 A HA 0.212 4.535 4.320 0.004 0.000 0.299 62 A C 0.946 178.687 177.584 0.261 0.000 1.497 62 A CA 1.496 53.711 52.037 0.296 0.000 0.751 62 A CB -1.674 17.439 19.000 0.188 0.000 1.048 62 A HN 2.069 nan 8.150 nan 0.000 0.464 63 G N -1.851 107.151 108.800 0.337 0.000 2.694 63 G HA2 0.816 4.779 3.960 0.004 0.000 0.290 63 G HA3 0.816 4.779 3.960 0.004 0.000 0.290 63 G C -0.760 174.336 174.900 0.328 0.000 1.386 63 G CA 0.271 45.515 45.100 0.240 0.000 0.872 63 G HN 0.837 nan 8.290 nan 0.000 0.475 64 T N -0.259 114.419 114.554 0.207 0.000 2.886 64 T HA 0.773 5.126 4.350 0.004 0.000 0.292 64 T C -0.135 174.636 174.700 0.120 0.000 1.012 64 T CA -0.018 62.212 62.100 0.217 0.000 0.982 64 T CB 1.695 70.671 68.868 0.181 0.000 1.018 64 T HN 1.168 nan 8.240 nan 0.000 0.451 65 A N 1.630 124.527 122.820 0.130 0.000 2.486 65 A HA 0.992 5.315 4.320 0.004 0.000 0.289 65 A C 0.238 177.869 177.584 0.078 0.000 1.176 65 A CA -0.705 51.367 52.037 0.058 0.000 0.757 65 A CB 1.165 20.146 19.000 -0.031 0.000 1.337 65 A HN 0.999 nan 8.150 nan 0.000 0.423 66 G N 0.016 108.840 108.800 0.041 0.000 2.528 66 G HA2 0.463 4.426 3.960 0.004 0.000 0.289 66 G HA3 0.463 4.426 3.960 0.004 0.000 0.289 66 G C -0.036 174.889 174.900 0.041 0.000 1.192 66 G CA -0.174 44.947 45.100 0.036 0.000 0.921 66 G HN 0.999 nan 8.290 nan 0.000 0.512 67 N N -0.578 118.124 118.700 0.005 0.000 2.645 67 N HA 0.585 5.327 4.740 0.004 0.000 0.308 67 N C -0.032 175.452 175.510 -0.043 0.000 1.335 67 N CA -0.175 52.850 53.050 -0.042 0.000 0.909 67 N CB 0.301 38.699 38.487 -0.150 0.000 1.109 67 N HN 0.626 nan 8.380 nan 0.000 0.555 68 A N -1.020 121.748 122.820 -0.087 0.000 2.310 68 A HA 0.687 5.010 4.320 0.004 0.000 0.299 68 A C 0.250 177.810 177.584 -0.039 0.000 1.147 68 A CA -0.467 51.545 52.037 -0.041 0.000 0.818 68 A CB -0.187 18.793 19.000 -0.034 0.000 1.096 68 A HN 0.911 nan 8.150 nan 0.000 0.495 69 A N 1.252 124.055 122.820 -0.027 0.000 2.386 69 A HA 0.515 4.837 4.320 0.004 0.000 0.248 69 A C 0.245 177.729 177.584 -0.167 0.000 1.082 69 A CA -0.044 51.896 52.037 -0.162 0.000 0.789 69 A CB 0.231 19.018 19.000 -0.354 0.000 1.025 69 A HN 0.914 nan 8.150 nan 0.000 0.490 70 Q N 0.292 119.930 119.800 -0.269 0.000 2.353 70 Q HA 0.651 4.994 4.340 0.004 0.000 0.268 70 Q C -2.033 173.783 176.000 -0.306 0.000 1.045 70 Q CA -0.415 55.360 55.803 -0.046 0.000 0.811 70 Q CB 1.154 30.046 28.738 0.256 0.000 1.305 70 Q HN 0.603 nan 8.270 nan 0.000 0.447 71 F N 2.382 122.486 119.950 0.258 0.000 2.563 71 F HA 0.716 5.246 4.527 0.004 0.000 0.316 71 F C -0.714 175.271 175.800 0.308 0.000 1.076 71 F CA -0.594 57.497 58.000 0.151 0.000 0.921 71 F CB 1.236 40.286 39.000 0.083 0.000 1.209 71 F HN 0.632 nan 8.300 nan 0.000 0.462 72 W N -0.234 121.233 121.300 0.278 0.000 3.075 72 W HA 0.842 5.505 4.660 0.005 0.000 0.334 72 W C -2.109 174.480 176.519 0.116 0.000 1.243 72 W CA -1.194 56.255 57.345 0.174 0.000 1.170 72 W CB 1.297 30.823 29.460 0.109 0.000 1.452 72 W HN 0.405 nan 8.180 nan 0.000 0.572 73 T N 2.158 116.884 114.554 0.286 0.000 2.928 73 T HA 0.570 4.922 4.350 0.004 0.000 0.296 73 T C -1.208 173.565 174.700 0.121 0.000 1.000 73 T CA -0.584 61.494 62.100 -0.035 0.000 0.989 73 T CB 1.540 70.305 68.868 -0.170 0.000 1.005 73 T HN 0.471 nan 8.240 nan 0.000 0.442 74 S N 2.242 117.994 115.700 0.086 0.000 2.500 74 S HA 0.763 5.235 4.470 0.004 0.000 0.301 74 S C -1.801 172.895 174.600 0.159 0.000 1.092 74 S CA -0.620 57.672 58.200 0.153 0.000 1.030 74 S CB 1.025 64.347 63.200 0.203 0.000 1.031 74 S HN 0.657 nan 8.310 nan 0.000 0.483 75 Y N 2.914 123.218 120.300 0.007 0.000 2.299 75 Y HA 0.310 4.863 4.550 0.005 0.000 0.318 75 Y C -0.341 175.579 175.900 0.034 0.000 1.205 75 Y CA -0.838 57.265 58.100 0.004 0.000 1.106 75 Y CB 0.512 38.960 38.460 -0.019 0.000 1.246 75 Y HN 0.851 nan 8.280 nan 0.000 0.415 76 N N 4.329 122.753 118.700 -0.461 0.000 2.714 76 N HA -0.157 4.586 4.740 0.004 0.000 0.253 76 N C 0.890 176.345 175.510 -0.092 0.000 1.024 76 N CA 2.052 54.864 53.050 -0.397 0.000 0.726 76 N CB -0.892 37.158 38.487 -0.727 0.000 0.908 76 N HN 1.530 nan 8.380 nan 0.000 0.542 77 G N -2.759 106.030 108.800 -0.018 0.000 2.179 77 G HA2 -0.303 3.659 3.960 0.004 0.000 0.260 77 G HA3 -0.303 3.659 3.960 0.004 0.000 0.260 77 G C 0.101 175.110 174.900 0.182 0.000 0.977 77 G CA 0.354 45.490 45.100 0.060 0.000 0.641 77 G HN 0.544 nan 8.290 nan 0.000 0.533 78 V N 1.152 121.162 119.914 0.160 0.000 2.435 78 V HA 0.736 4.858 4.120 0.004 0.000 0.290 78 V C 0.212 176.379 176.094 0.122 0.000 1.030 78 V CA -0.006 62.396 62.300 0.170 0.000 0.881 78 V CB 1.863 33.739 31.823 0.087 0.000 0.983 78 V HN 0.269 nan 8.190 nan 0.000 0.445 79 T N 4.003 118.622 114.554 0.108 0.000 2.841 79 T HA 0.564 4.916 4.350 0.004 0.000 0.285 79 T C -0.608 174.171 174.700 0.132 0.000 0.991 79 T CA -0.390 61.775 62.100 0.109 0.000 0.966 79 T CB 1.687 70.577 68.868 0.036 0.000 0.962 79 T HN 0.331 nan 8.240 nan 0.000 0.438 80 V N 3.789 123.804 119.914 0.169 0.000 2.417 80 V HA 0.706 4.829 4.120 0.004 0.000 0.291 80 V C 0.074 176.320 176.094 0.253 0.000 1.024 80 V CA -0.742 61.665 62.300 0.179 0.000 0.861 80 V CB 1.560 33.471 31.823 0.147 0.000 0.985 80 V HN 1.059 nan 8.190 nan 0.000 0.436 81 S N 3.875 119.729 115.700 0.258 0.000 2.542 81 S HA 0.877 5.349 4.470 0.004 0.000 0.293 81 S C -0.935 173.840 174.600 0.291 0.000 1.089 81 S CA -0.819 57.577 58.200 0.326 0.000 0.961 81 S CB 2.170 65.560 63.200 0.317 0.000 1.062 81 S HN 0.658 nan 8.310 nan 0.000 0.483 82 V N 1.595 121.713 119.914 0.340 0.000 2.925 82 V HA 0.834 4.957 4.120 0.004 0.000 0.311 82 V C 0.648 176.969 176.094 0.380 0.000 1.104 82 V CA 0.984 63.471 62.300 0.313 0.000 0.954 82 V CB 1.194 33.173 31.823 0.261 0.000 1.022 82 V HN 1.959 nan 8.190 nan 0.000 0.427 83 G N 5.145 114.124 108.800 0.299 0.000 2.754 83 G HA2 -0.211 3.751 3.960 0.004 0.000 0.241 83 G HA3 -0.211 3.751 3.960 0.004 0.000 0.241 83 G C -0.083 174.980 174.900 0.271 0.000 1.281 83 G CA 0.301 45.588 45.100 0.312 0.000 0.971 83 G HN 1.367 nan 8.290 nan 0.000 0.569 84 N N 1.550 120.407 118.700 0.262 0.000 2.868 84 N HA 0.445 5.187 4.740 0.004 0.000 0.252 84 N C 0.501 176.231 175.510 0.366 0.000 1.130 84 N CA 0.446 53.645 53.050 0.249 0.000 1.026 84 N CB 0.144 38.657 38.487 0.044 0.000 1.335 84 N HN 1.293 nan 8.380 nan 0.000 0.516 85 V N -0.234 119.889 119.914 0.349 0.000 2.904 85 V HA 0.489 4.612 4.120 0.004 0.000 0.305 85 V C 0.314 176.625 176.094 0.361 0.000 1.067 85 V CA -0.869 61.628 62.300 0.329 0.000 1.044 85 V CB 1.144 33.119 31.823 0.253 0.000 1.050 85 V HN 0.321 nan 8.190 nan 0.000 0.475 86 D N 2.580 123.138 120.400 0.264 0.000 2.308 86 D HA 0.324 4.967 4.640 0.004 0.000 0.251 86 D C 0.498 176.944 176.300 0.242 0.000 1.127 86 D CA 0.296 54.440 54.000 0.240 0.000 0.876 86 D CB 1.695 42.562 40.800 0.112 0.000 1.176 86 D HN 0.978 nan 8.370 nan 0.000 0.446 87 T N -1.552 113.173 114.554 0.285 0.000 2.902 87 T HA 0.463 4.815 4.350 0.004 0.000 0.280 87 T C 1.323 176.113 174.700 0.149 0.000 0.992 87 T CA -0.727 61.520 62.100 0.244 0.000 1.015 87 T CB 1.780 70.845 68.868 0.328 0.000 1.044 87 T HN 0.264 nan 8.240 nan 0.000 0.520 88 A N 0.842 123.726 122.820 0.108 0.000 1.902 88 A HA 0.026 4.349 4.320 0.004 0.000 0.217 88 A C 1.852 179.401 177.584 -0.058 0.000 1.181 88 A CA 1.153 53.202 52.037 0.020 0.000 0.623 88 A CB -1.208 17.835 19.000 0.073 0.000 0.818 88 A HN 0.847 nan 8.150 nan 0.000 0.443 89 F N 0.453 120.296 119.950 -0.178 0.000 2.293 89 F HA -0.100 4.429 4.527 0.005 0.000 0.300 89 F C 1.715 177.283 175.800 -0.386 0.000 1.086 89 F CA 1.804 59.595 58.000 -0.350 0.000 1.375 89 F CB -0.055 38.606 39.000 -0.564 0.000 1.045 89 F HN 0.351 nan 8.300 nan 0.000 0.516 90 D N -1.625 118.755 120.400 -0.033 0.000 2.346 90 D HA -0.010 4.633 4.640 0.004 0.000 0.206 90 D C 1.875 178.187 176.300 0.020 0.000 1.001 90 D CA 0.813 54.891 54.000 0.131 0.000 0.871 90 D CB 0.228 41.317 40.800 0.482 0.000 0.943 90 D HN 0.098 nan 8.370 nan 0.000 0.518 91 S N -0.516 115.076 115.700 -0.179 0.000 2.486 91 S HA 0.085 4.557 4.470 0.004 0.000 0.220 91 S C 0.725 174.954 174.600 -0.618 0.000 1.011 91 S CA -0.109 57.897 58.200 -0.323 0.000 0.921 91 S CB 0.364 63.358 63.200 -0.344 0.000 0.785 91 S HN 0.210 nan 8.310 nan 0.000 0.517 92 V N 1.633 121.117 119.914 -0.717 0.000 3.032 92 V HA 0.493 4.616 4.120 0.004 0.000 0.307 92 V C 0.713 176.641 176.094 -0.276 0.000 1.097 92 V CA -1.073 60.901 62.300 -0.542 0.000 1.191 92 V CB -0.499 31.174 31.823 -0.249 0.000 0.964 92 V HN 0.314 nan 8.190 nan 0.000 0.494 93 A N 2.963 125.734 122.820 -0.081 0.000 2.327 93 A HA 0.627 4.950 4.320 0.004 0.000 0.255 93 A C 1.107 178.668 177.584 -0.037 0.000 1.099 93 A CA 0.216 52.223 52.037 -0.049 0.000 0.801 93 A CB -0.159 18.853 19.000 0.020 0.000 1.062 93 A HN 1.564 nan 8.150 nan 0.000 0.496 94 L N -1.317 119.866 121.223 -0.067 0.000 4.423 94 L HA -0.304 4.039 4.340 0.004 0.000 0.380 94 L C 2.007 178.749 176.870 -0.212 0.000 0.737 94 L CA 1.680 56.508 54.840 -0.021 0.000 2.597 94 L CB -1.898 40.285 42.059 0.206 0.000 0.969 94 L HN 0.865 nan 8.230 nan 0.000 0.664 95 T N -1.283 112.960 114.554 -0.518 0.000 2.897 95 T HA -0.133 4.220 4.350 0.004 0.000 0.271 95 T C 1.033 175.131 174.700 -1.004 0.000 1.084 95 T CA 2.019 63.493 62.100 -1.044 0.000 1.123 95 T CB -0.186 67.631 68.868 -1.752 0.000 0.865 95 T HN 0.428 nan 8.240 nan 0.000 0.496 96 Y N 0.402 120.261 120.300 -0.735 0.000 2.584 96 Y HA 0.341 4.894 4.550 0.004 0.000 0.254 96 Y C 1.297 176.568 175.900 -1.049 0.000 1.177 96 Y CA -1.056 56.361 58.100 -1.139 0.000 1.216 96 Y CB 0.196 37.560 38.460 -1.827 0.000 1.172 96 Y HN 0.155 nan 8.280 nan 0.000 0.529 97 D N -0.701 119.321 120.400 -0.630 0.000 2.378 97 D HA -0.088 4.554 4.640 0.004 0.000 0.227 97 D C 1.849 177.730 176.300 -0.699 0.000 1.012 97 D CA 0.946 54.601 54.000 -0.575 0.000 0.905 97 D CB -0.036 40.495 40.800 -0.447 0.000 0.895 97 D HN 0.318 nan 8.370 nan 0.000 0.532 98 S N -1.238 114.066 115.700 -0.660 0.000 2.575 98 S HA -0.027 4.446 4.470 0.004 0.000 0.215 98 S C 0.603 175.177 174.600 -0.043 0.000 0.966 98 S CA -0.661 57.326 58.200 -0.355 0.000 0.911 98 S CB -0.164 62.818 63.200 -0.365 0.000 0.780 98 S HN 0.054 nan 8.310 nan 0.000 0.514 99 W N 3.206 124.396 121.300 -0.183 0.000 2.377 99 W HA 0.366 5.028 4.660 0.005 0.000 0.341 99 W C 0.577 177.071 176.519 -0.042 0.000 1.240 99 W CA -0.756 56.513 57.345 -0.125 0.000 1.311 99 W CB -0.501 28.889 29.460 -0.116 0.000 1.175 99 W HN 0.416 nan 8.180 nan 0.000 0.571 100 M N 1.799 121.498 119.600 0.165 0.000 2.773 100 M HA 0.771 5.253 4.480 0.004 0.000 0.270 100 M C 0.157 176.471 176.300 0.023 0.000 1.238 100 M CA -0.416 54.960 55.300 0.126 0.000 0.832 100 M CB 1.763 34.481 32.600 0.197 0.000 1.672 100 M HN 0.785 nan 8.290 nan 0.000 0.480 101 G N 0.771 109.601 108.800 0.050 0.000 2.795 101 G HA2 -0.267 3.696 3.960 0.004 0.000 0.664 101 G HA3 -0.267 3.696 3.960 0.004 0.000 0.664 101 G C -0.618 174.288 174.900 0.011 0.000 1.381 101 G CA 0.339 45.465 45.100 0.044 0.000 0.853 101 G HN 1.899 nan 8.290 nan 0.000 0.545 102 Y N -1.194 119.062 120.300 -0.074 0.000 2.571 102 Y HA 0.399 4.952 4.550 0.004 0.000 0.294 102 Y C 1.853 177.658 175.900 -0.159 0.000 1.141 102 Y CA 1.635 59.670 58.100 -0.109 0.000 1.308 102 Y CB 0.138 38.543 38.460 -0.092 0.000 1.002 102 Y HN 0.551 nan 8.280 nan 0.000 0.551 103 E N 1.005 120.799 120.200 -0.677 0.000 2.476 103 E HA 0.368 4.721 4.350 0.004 0.000 0.196 103 E C 0.692 176.938 176.600 -0.589 0.000 1.029 103 E CA 0.224 56.210 56.400 -0.689 0.000 0.896 103 E CB 0.228 29.506 29.700 -0.705 0.000 1.012 103 E HN 0.466 nan 8.360 nan 0.000 0.475 104 A N 1.681 124.191 122.820 -0.517 0.000 2.415 104 A HA -0.199 4.123 4.320 0.004 0.000 0.292 104 A C 0.400 177.301 177.584 -1.137 0.000 1.452 104 A CA 0.851 52.470 52.037 -0.697 0.000 0.750 104 A CB -2.127 16.357 19.000 -0.859 0.000 1.099 104 A HN 0.330 nan 8.150 nan 0.000 0.391 105 S N -1.041 114.276 115.700 -0.638 0.000 2.638 105 S HA 0.930 5.403 4.470 0.004 0.000 0.302 105 S C -0.249 174.215 174.600 -0.227 0.000 1.096 105 S CA 0.053 57.933 58.200 -0.533 0.000 0.953 105 S CB 2.176 65.111 63.200 -0.442 0.000 1.107 105 S HN 2.039 nan 8.310 nan 0.000 0.503 106 S N -0.161 115.425 115.700 -0.191 0.000 2.570 106 S HA 0.450 4.923 4.470 0.004 0.000 0.286 106 S C -0.617 173.827 174.600 -0.260 0.000 1.143 106 S CA -0.686 57.377 58.200 -0.228 0.000 0.921 106 S CB 0.206 63.271 63.200 -0.226 0.000 1.108 106 S HN 0.559 nan 8.310 nan 0.000 0.456 107 F N 2.923 122.829 119.950 -0.072 0.000 2.365 107 F HA 0.154 4.684 4.527 0.004 0.000 0.300 107 F C 2.453 178.248 175.800 -0.009 0.000 1.090 107 F CA 1.362 59.334 58.000 -0.048 0.000 1.408 107 F CB -0.322 38.553 39.000 -0.208 0.000 1.060 107 F HN 0.758 nan 8.300 nan 0.000 0.534 108 G N -1.064 107.661 108.800 -0.125 0.000 2.679 108 G HA2 -0.118 3.845 3.960 0.004 0.000 0.212 108 G HA3 -0.118 3.845 3.960 0.004 0.000 0.212 108 G C 0.392 175.282 174.900 -0.017 0.000 1.137 108 G CA 0.059 45.122 45.100 -0.062 0.000 0.787 108 G HN 0.116 nan 8.290 nan 0.000 0.534 109 D N 0.611 120.976 120.400 -0.058 0.000 2.368 109 D HA 0.415 5.058 4.640 0.004 0.000 0.240 109 D C 0.789 176.929 176.300 -0.267 0.000 1.169 109 D CA -0.024 53.904 54.000 -0.119 0.000 0.906 109 D CB 1.075 41.910 40.800 0.058 0.000 1.187 109 D HN 0.194 nan 8.370 nan 0.000 0.435 110 A N 1.923 124.331 122.820 -0.686 0.000 2.584 110 A HA -0.059 4.264 4.320 0.004 0.000 0.239 110 A C 0.448 177.863 177.584 -0.281 0.000 1.043 110 A CA 0.191 51.701 52.037 -0.877 0.000 0.756 110 A CB 0.044 18.524 19.000 -0.867 0.000 0.963 110 A HN 0.325 nan 8.150 nan 0.000 0.511 111 Q N 1.931 121.598 119.800 -0.222 0.000 3.041 111 Q HA 0.210 4.552 4.340 0.004 0.000 0.372 111 Q C -0.128 175.805 176.000 -0.112 0.000 1.241 111 Q CA 0.179 55.913 55.803 -0.114 0.000 1.010 111 Q CB -0.169 28.492 28.738 -0.127 0.000 1.467 111 Q HN 0.844 nan 8.270 nan 0.000 0.462 112 S N -1.587 114.072 115.700 -0.067 0.000 2.704 112 S HA 0.688 5.160 4.470 0.004 0.000 0.296 112 S C -0.160 174.377 174.600 -0.104 0.000 1.138 112 S CA -0.811 57.351 58.200 -0.065 0.000 0.875 112 S CB 1.926 65.086 63.200 -0.067 0.000 1.151 112 S HN 0.041 nan 8.310 nan 0.000 0.500 113 S N 1.103 116.709 115.700 -0.156 0.000 2.451 113 S HA 0.875 5.348 4.470 0.004 0.000 0.301 113 S C -1.057 173.400 174.600 -0.237 0.000 1.116 113 S CA -0.662 57.352 58.200 -0.309 0.000 1.093 113 S CB -0.012 63.043 63.200 -0.242 0.000 1.017 113 S HN 0.680 nan 8.310 nan 0.000 0.482 114 F N -0.086 119.680 119.950 -0.307 0.000 2.741 114 F HA 0.692 5.222 4.527 0.005 0.000 0.311 114 F C -1.577 174.147 175.800 -0.128 0.000 1.149 114 F CA -1.745 56.059 58.000 -0.326 0.000 0.930 114 F CB 0.343 39.150 39.000 -0.321 0.000 1.312 114 F HN 0.277 nan 8.300 nan 0.000 0.450 115 F N 2.436 122.569 119.950 0.306 0.000 2.410 115 F HA 0.512 5.041 4.527 0.004 0.000 0.334 115 F C -0.055 176.111 175.800 0.609 0.000 1.134 115 F CA -0.727 57.504 58.000 0.386 0.000 1.227 115 F CB 0.752 39.968 39.000 0.361 0.000 1.194 115 F HN 0.693 nan 8.300 nan 0.000 0.571 116 W N 1.579 123.139 121.300 0.434 0.000 3.018 116 W HA 0.382 5.045 4.660 0.004 0.000 0.352 116 W C -1.642 175.047 176.519 0.284 0.000 1.230 116 W CA -2.347 55.220 57.345 0.369 0.000 1.162 116 W CB -0.541 29.124 29.460 0.341 0.000 1.483 116 W HN 0.500 nan 8.180 nan 0.000 0.584 117 Y N 3.662 124.044 120.300 0.138 0.000 2.810 117 Y HA 0.026 4.579 4.550 0.005 0.000 0.332 117 Y C 0.389 176.028 175.900 -0.435 0.000 1.243 117 Y CA 1.023 59.068 58.100 -0.092 0.000 1.537 117 Y CB 0.243 38.665 38.460 -0.063 0.000 1.265 117 Y HN 0.255 nan 8.280 nan 0.000 0.572 118 N N 4.978 123.152 118.700 -0.877 0.000 2.437 118 N HA 0.057 4.800 4.740 0.004 0.000 0.243 118 N C 0.420 175.391 175.510 -0.898 0.000 1.041 118 N CA 0.000 52.556 53.050 -0.824 0.000 0.940 118 N CB 1.616 39.719 38.487 -0.641 0.000 1.133 118 N HN 0.654 nan 8.380 nan 0.000 0.506 119 S N 1.696 116.995 115.700 -0.669 0.000 2.453 119 S HA 0.029 4.501 4.470 0.004 0.000 0.231 119 S C 0.592 175.016 174.600 -0.293 0.000 1.005 119 S CA 1.067 59.020 58.200 -0.413 0.000 0.949 119 S CB 0.337 63.364 63.200 -0.289 0.000 0.774 119 S HN 0.493 nan 8.310 nan 0.000 0.510 120 K N -0.318 119.891 120.400 -0.318 0.000 2.439 120 K HA 0.390 4.712 4.320 0.004 0.000 0.260 120 K C -0.902 175.572 176.600 -0.210 0.000 1.032 120 K CA -1.007 55.148 56.287 -0.220 0.000 0.882 120 K CB 1.082 33.405 32.500 -0.296 0.000 1.420 120 K HN 0.168 nan 8.250 nan 0.000 0.455 121 Y N -0.683 119.544 120.300 -0.122 0.000 2.335 121 Y HA 0.262 4.814 4.550 0.005 0.000 0.348 121 Y C -0.184 175.656 175.900 -0.099 0.000 1.280 121 Y CA -0.314 57.726 58.100 -0.100 0.000 1.504 121 Y CB 0.441 38.873 38.460 -0.047 0.000 1.366 121 Y HN 0.354 nan 8.280 nan 0.000 0.621 122 D N 0.703 121.082 120.400 -0.034 0.000 2.542 122 D HA 0.351 4.994 4.640 0.004 0.000 0.252 122 D C 0.172 176.536 176.300 0.108 0.000 1.222 122 D CA -0.270 53.664 54.000 -0.110 0.000 0.895 122 D CB 1.792 42.522 40.800 -0.118 0.000 1.207 122 D HN 0.854 nan 8.370 nan 0.000 0.558 123 A N 2.715 125.627 122.820 0.153 0.000 2.067 123 A HA -0.113 4.210 4.320 0.004 0.000 0.219 123 A C 1.990 179.643 177.584 0.115 0.000 1.158 123 A CA 1.656 53.836 52.037 0.240 0.000 0.661 123 A CB -0.359 18.827 19.000 0.309 0.000 0.801 123 A HN 0.601 nan 8.150 nan 0.000 0.452 124 S N -1.579 114.155 115.700 0.056 0.000 2.442 124 S HA 0.212 4.684 4.470 0.004 0.000 0.236 124 S C 1.696 176.319 174.600 0.039 0.000 1.007 124 S CA 1.461 59.684 58.200 0.038 0.000 0.965 124 S CB -0.579 62.630 63.200 0.015 0.000 0.773 124 S HN 1.906 nan 8.310 nan 0.000 0.504 125 G N 0.558 109.383 108.800 0.041 0.000 2.195 125 G HA2 -0.225 3.738 3.960 0.004 0.000 0.246 125 G HA3 -0.225 3.738 3.960 0.004 0.000 0.246 125 G C 1.054 175.971 174.900 0.027 0.000 0.984 125 G CA 0.410 45.531 45.100 0.035 0.000 0.633 125 G HN 1.267 nan 8.290 nan 0.000 0.525 126 A N 0.063 122.895 122.820 0.020 0.000 1.933 126 A HA 0.304 4.627 4.320 0.004 0.000 0.218 126 A C 2.154 179.750 177.584 0.020 0.000 1.175 126 A CA 1.778 53.830 52.037 0.026 0.000 0.628 126 A CB -0.290 18.726 19.000 0.027 0.000 0.814 126 A HN 0.931 nan 8.150 nan 0.000 0.444 127 L N -0.406 120.798 121.223 -0.031 0.000 2.611 127 L HA 0.046 4.389 4.340 0.004 0.000 0.229 127 L C 0.945 177.820 176.870 0.009 0.000 1.137 127 L CA -0.144 54.652 54.840 -0.073 0.000 0.901 127 L CB -0.256 41.643 42.059 -0.267 0.000 1.098 127 L HN 0.168 nan 8.230 nan 0.000 0.456 128 D N 0.843 121.261 120.400 0.031 0.000 2.149 128 D HA -0.159 4.483 4.640 0.004 0.000 0.198 128 D C 1.276 177.615 176.300 0.065 0.000 0.990 128 D CA 1.330 55.355 54.000 0.042 0.000 0.839 128 D CB 0.028 40.850 40.800 0.037 0.000 0.948 128 D HN 0.242 nan 8.370 nan 0.000 0.460 129 N N -0.618 118.130 118.700 0.080 0.000 2.282 129 N HA -0.027 4.715 4.740 0.004 0.000 0.240 129 N C -0.589 174.980 175.510 0.098 0.000 1.182 129 N CA -0.303 52.795 53.050 0.079 0.000 0.874 129 N CB 0.630 39.150 38.487 0.055 0.000 1.126 129 N HN 0.192 nan 8.380 nan 0.000 0.516 130 Y N 2.077 122.349 120.300 -0.046 0.000 2.442 130 Y HA 0.252 4.804 4.550 0.004 0.000 0.330 130 Y C -0.374 175.488 175.900 -0.064 0.000 1.129 130 Y CA -0.143 57.897 58.100 -0.100 0.000 1.365 130 Y CB 0.257 38.621 38.460 -0.159 0.000 1.233 130 Y HN -0.013 nan 8.280 nan 0.000 0.529 131 N N 3.441 121.973 118.700 -0.281 0.000 2.369 131 N HA 0.613 5.356 4.740 0.004 0.000 0.287 131 N C -1.173 174.186 175.510 -0.251 0.000 1.067 131 N CA -0.306 52.666 53.050 -0.129 0.000 0.888 131 N CB 1.735 40.226 38.487 0.007 0.000 1.616 131 N HN 0.909 nan 8.380 nan 0.000 0.482 132 G N 1.620 110.363 108.800 -0.096 0.000 2.537 132 G HA2 0.701 4.663 3.960 0.004 0.000 0.308 132 G HA3 0.701 4.663 3.960 0.004 0.000 0.308 132 G C -1.270 173.715 174.900 0.143 0.000 1.237 132 G CA -0.415 44.664 45.100 -0.035 0.000 0.968 132 G HN 0.453 nan 8.290 nan 0.000 0.481 133 I N 0.438 121.139 120.570 0.220 0.000 2.545 133 I HA 0.700 4.872 4.170 0.004 0.000 0.292 133 I C 0.025 176.285 176.117 0.240 0.000 1.040 133 I CA -1.063 60.384 61.300 0.244 0.000 1.068 133 I CB 1.257 39.412 38.000 0.258 0.000 1.251 133 I HN 0.677 nan 8.210 nan 0.000 0.424 134 A N 5.628 128.578 122.820 0.218 0.000 2.515 134 A HA 0.864 5.187 4.320 0.004 0.000 0.298 134 A C -1.405 176.289 177.584 0.185 0.000 1.059 134 A CA -0.535 51.624 52.037 0.204 0.000 0.698 134 A CB 2.035 21.156 19.000 0.202 0.000 1.289 134 A HN 0.364 nan 8.150 nan 0.000 0.404 135 V N 1.784 121.802 119.914 0.173 0.000 2.531 135 V HA 0.711 4.834 4.120 0.004 0.000 0.301 135 V C 0.080 176.252 176.094 0.129 0.000 1.034 135 V CA -0.109 62.278 62.300 0.145 0.000 0.865 135 V CB 1.784 33.687 31.823 0.134 0.000 0.995 135 V HN 1.184 nan 8.190 nan 0.000 0.424 136 T N 1.470 116.082 114.554 0.096 0.000 2.885 136 T HA 0.751 5.104 4.350 0.004 0.000 0.285 136 T C -1.290 173.458 174.700 0.081 0.000 1.019 136 T CA -0.737 61.373 62.100 0.016 0.000 1.010 136 T CB 2.043 70.876 68.868 -0.059 0.000 1.022 136 T HN 0.570 nan 8.240 nan 0.000 0.466 137 Y N 1.432 121.638 120.300 -0.157 0.000 2.354 137 Y HA 0.579 5.132 4.550 0.005 0.000 0.330 137 Y C -1.207 174.603 175.900 -0.150 0.000 1.011 137 Y CA -1.266 56.767 58.100 -0.111 0.000 1.099 137 Y CB 1.948 40.373 38.460 -0.057 0.000 1.179 137 Y HN 0.870 nan 8.280 nan 0.000 0.442 138 S N 7.652 123.027 115.700 -0.542 0.000 2.530 138 S HA 0.597 5.069 4.470 0.004 0.000 0.322 138 S C -0.008 174.234 174.600 -0.598 0.000 1.085 138 S CA -0.743 57.155 58.200 -0.504 0.000 1.096 138 S CB 0.531 63.571 63.200 -0.267 0.000 0.988 138 S HN 0.737 nan 8.310 nan 0.000 0.466 139 I N 0.017 120.272 120.570 -0.525 0.000 3.842 139 I HA 0.590 4.762 4.170 0.004 0.000 0.273 139 I C 0.313 176.333 176.117 -0.162 0.000 1.348 139 I CA -0.853 60.252 61.300 -0.325 0.000 0.948 139 I CB 0.865 38.716 38.000 -0.248 0.000 1.534 139 I HN 0.426 nan 8.210 nan 0.000 0.656 140 S N 0.712 116.364 115.700 -0.081 0.000 2.494 140 S HA 0.481 4.954 4.470 0.004 0.000 0.312 140 S C 0.602 175.191 174.600 -0.019 0.000 1.121 140 S CA 0.597 58.767 58.200 -0.050 0.000 1.068 140 S CB -0.944 62.240 63.200 -0.025 0.000 1.141 140 S HN 1.200 nan 8.310 nan 0.000 0.527 141 G N 3.232 111.997 108.800 -0.058 0.000 2.308 141 G HA2 -0.228 3.735 3.960 0.004 0.000 0.221 141 G HA3 -0.228 3.735 3.960 0.004 0.000 0.221 141 G C 0.044 174.944 174.900 -0.001 0.000 1.032 141 G CA -0.051 45.001 45.100 -0.081 0.000 0.623 141 G HN 0.753 nan 8.290 nan 0.000 0.506 142 V N 2.402 122.356 119.914 0.067 0.000 2.509 142 V HA 0.604 4.727 4.120 0.004 0.000 0.284 142 V C -0.306 175.738 176.094 -0.084 0.000 1.047 142 V CA -0.694 61.650 62.300 0.073 0.000 0.952 142 V CB 1.605 33.472 31.823 0.073 0.000 0.988 142 V HN 0.412 nan 8.190 nan 0.000 0.469 143 N N 3.996 122.654 118.700 -0.069 0.000 2.352 143 N HA 0.488 5.231 4.740 0.004 0.000 0.291 143 N C -1.583 173.785 175.510 -0.236 0.000 1.040 143 N CA -0.570 52.336 53.050 -0.239 0.000 0.864 143 N CB 2.413 40.775 38.487 -0.208 0.000 1.440 143 N HN 0.319 nan 8.380 nan 0.000 0.483 144 L N 2.862 123.877 121.223 -0.347 0.000 2.329 144 L HA 0.546 4.889 4.340 0.004 0.000 0.279 144 L C -1.134 175.545 176.870 -0.318 0.000 1.014 144 L CA -0.596 54.157 54.840 -0.146 0.000 0.814 144 L CB 0.577 42.657 42.059 0.034 0.000 1.257 144 L HN 0.457 nan 8.230 nan 0.000 0.424 145 Y N 4.149 124.501 120.300 0.087 0.000 2.406 145 Y HA 0.660 5.213 4.550 0.004 0.000 0.340 145 Y C -0.473 175.465 175.900 0.063 0.000 0.975 145 Y CA -0.824 57.322 58.100 0.076 0.000 1.056 145 Y CB 1.912 40.407 38.460 0.058 0.000 1.210 145 Y HN 0.331 nan 8.280 nan 0.000 0.448 146 L N 3.084 124.431 121.223 0.208 0.000 2.408 146 L HA 0.830 5.173 4.340 0.004 0.000 0.268 146 L C -0.749 176.185 176.870 0.106 0.000 0.986 146 L CA -0.329 54.578 54.840 0.111 0.000 0.820 146 L CB 2.278 44.435 42.059 0.163 0.000 1.303 146 L HN 0.793 nan 8.230 nan 0.000 0.411 147 S N 1.678 117.373 115.700 -0.008 0.000 2.541 147 S HA 0.652 5.125 4.470 0.004 0.000 0.271 147 S C -1.551 173.144 174.600 0.158 0.000 1.133 147 S CA -0.745 57.522 58.200 0.111 0.000 0.876 147 S CB 1.752 65.028 63.200 0.127 0.000 1.105 147 S HN 0.481 nan 8.310 nan 0.000 0.470 148 Y N 1.815 122.199 120.300 0.140 0.000 2.329 148 Y HA 0.668 5.220 4.550 0.004 0.000 0.328 148 Y C -1.794 174.170 175.900 0.106 0.000 0.992 148 Y CA -0.767 57.453 58.100 0.201 0.000 1.151 148 Y CB 1.487 40.102 38.460 0.258 0.000 1.150 148 Y HN 0.734 nan 8.280 nan 0.000 0.450 149 V N 5.989 125.634 119.914 -0.449 0.000 2.487 149 V HA 0.301 4.424 4.120 0.004 0.000 0.298 149 V C -1.054 174.627 176.094 -0.688 0.000 1.028 149 V CA -0.735 61.254 62.300 -0.518 0.000 0.860 149 V CB 1.687 33.309 31.823 -0.335 0.000 0.991 149 V HN 0.743 nan 8.190 nan 0.000 0.427 150 D N 6.995 127.004 120.400 -0.652 0.000 2.392 150 D HA 0.403 5.045 4.640 0.004 0.000 0.228 150 D C -1.655 174.409 176.300 -0.393 0.000 1.074 150 D CA -2.198 51.557 54.000 -0.409 0.000 0.838 150 D CB 2.564 43.237 40.800 -0.211 0.000 1.067 150 D HN 0.200 nan 8.370 nan 0.000 0.511 151 P HA 0.012 nan 4.420 nan 0.000 0.225 151 P C -0.149 177.146 177.300 -0.008 0.000 1.148 151 P CA 0.776 63.790 63.100 -0.143 0.000 0.779 151 P CB 0.481 32.228 31.700 0.079 0.000 0.780 152 D N -0.350 120.042 120.400 -0.013 0.000 2.411 152 D HA 0.026 4.669 4.640 0.004 0.000 0.239 152 D C 0.905 177.215 176.300 0.017 0.000 1.307 152 D CA -0.146 53.868 54.000 0.024 0.000 0.930 152 D CB 0.515 41.340 40.800 0.043 0.000 1.395 152 D HN -0.006 nan 8.370 nan 0.000 0.536 153 Q N 0.623 120.430 119.800 0.012 0.000 2.436 153 Q HA -0.085 4.258 4.340 0.004 0.000 0.209 153 Q C 1.101 177.124 176.000 0.038 0.000 0.965 153 Q CA 1.558 57.378 55.803 0.028 0.000 0.910 153 Q CB -0.115 28.642 28.738 0.031 0.000 0.980 153 Q HN 0.299 nan 8.270 nan 0.000 0.491 154 T N -2.564 112.011 114.554 0.035 0.000 3.014 154 T HA 0.141 4.493 4.350 0.004 0.000 0.263 154 T C 0.788 175.508 174.700 0.033 0.000 1.078 154 T CA 0.078 62.198 62.100 0.033 0.000 1.135 154 T CB -0.095 68.791 68.868 0.031 0.000 0.895 154 T HN 0.075 nan 8.240 nan 0.000 0.480 155 V N 2.911 122.846 119.914 0.034 0.000 2.686 155 V HA 0.212 4.334 4.120 0.004 0.000 0.295 155 V C 0.582 176.699 176.094 0.038 0.000 1.057 155 V CA -1.175 61.145 62.300 0.034 0.000 1.012 155 V CB 1.262 33.106 31.823 0.035 0.000 1.006 155 V HN 0.481 nan 8.190 nan 0.000 0.477 156 D N 2.689 123.110 120.400 0.035 0.000 2.648 156 D HA -0.081 4.561 4.640 0.004 0.000 0.229 156 D C 1.336 177.663 176.300 0.046 0.000 1.119 156 D CA 0.647 54.669 54.000 0.037 0.000 0.850 156 D CB 1.057 41.876 40.800 0.031 0.000 1.169 156 D HN 0.704 nan 8.370 nan 0.000 0.489 157 S N 2.168 117.901 115.700 0.055 0.000 2.400 157 S HA -0.235 4.237 4.470 0.004 0.000 0.232 157 S C 1.945 176.584 174.600 0.065 0.000 1.025 157 S CA 1.290 59.533 58.200 0.072 0.000 0.993 157 S CB -0.301 62.955 63.200 0.093 0.000 0.808 157 S HN 0.611 nan 8.310 nan 0.000 0.478 158 S N 1.339 117.069 115.700 0.050 0.000 2.515 158 S HA 0.180 4.652 4.470 0.004 0.000 0.231 158 S C 1.448 176.073 174.600 0.042 0.000 0.987 158 S CA 0.224 58.451 58.200 0.045 0.000 0.936 158 S CB -0.574 62.647 63.200 0.034 0.000 0.766 158 S HN 0.508 nan 8.310 nan 0.000 0.528 159 L N 1.502 122.750 121.223 0.041 0.000 2.567 159 L HA 0.356 4.698 4.340 0.004 0.000 0.225 159 L C 0.551 177.446 176.870 0.042 0.000 1.119 159 L CA -0.171 54.692 54.840 0.038 0.000 0.871 159 L CB 0.612 42.692 42.059 0.034 0.000 1.036 159 L HN 0.421 nan 8.230 nan 0.000 0.459 160 V N -4.812 115.132 119.914 0.050 0.000 3.001 160 V HA 0.566 4.689 4.120 0.004 0.000 0.314 160 V C -0.221 175.910 176.094 0.061 0.000 1.099 160 V CA -0.483 61.849 62.300 0.054 0.000 0.989 160 V CB 1.857 33.712 31.823 0.053 0.000 1.040 160 V HN -0.094 nan 8.190 nan 0.000 0.434 161 T N 2.982 117.576 114.554 0.067 0.000 2.744 161 T HA 0.576 4.928 4.350 0.004 0.000 0.291 161 T C -0.477 174.271 174.700 0.080 0.000 0.957 161 T CA -0.047 62.096 62.100 0.071 0.000 1.002 161 T CB 0.857 69.760 68.868 0.059 0.000 0.919 161 T HN 0.891 nan 8.240 nan 0.000 0.468 162 E N 1.850 122.095 120.200 0.075 0.000 2.214 162 E HA 0.337 4.689 4.350 0.004 0.000 0.274 162 E C -0.148 176.499 176.600 0.078 0.000 0.977 162 E CA -0.682 55.728 56.400 0.016 0.000 0.827 162 E CB 1.258 30.932 29.700 -0.044 0.000 1.130 162 E HN 0.583 nan 8.360 nan 0.000 0.394 163 E N 2.540 122.787 120.200 0.077 0.000 2.227 163 E HA 0.274 4.627 4.350 0.004 0.000 0.282 163 E C -1.394 175.324 176.600 0.197 0.000 1.015 163 E CA -0.521 55.958 56.400 0.132 0.000 0.823 163 E CB 0.619 30.443 29.700 0.206 0.000 1.081 163 E HN 0.382 nan 8.360 nan 0.000 0.396 164 F N 3.492 123.500 119.950 0.097 0.000 2.493 164 F HA 0.660 5.190 4.527 0.004 0.000 0.329 164 F C -0.487 175.390 175.800 0.129 0.000 1.126 164 F CA -0.359 57.746 58.000 0.174 0.000 0.937 164 F CB 1.759 40.895 39.000 0.228 0.000 1.146 164 F HN 0.445 nan 8.300 nan 0.000 0.442 165 G N 6.200 114.543 108.800 -0.761 0.000 2.571 165 G HA2 0.658 4.621 3.960 0.004 0.000 0.304 165 G HA3 0.658 4.621 3.960 0.004 0.000 0.304 165 G C -2.213 172.353 174.900 -0.556 0.000 1.314 165 G CA -0.844 43.974 45.100 -0.470 0.000 0.975 165 G HN 0.896 nan 8.290 nan 0.000 0.485 166 I N 0.380 120.849 120.570 -0.167 0.000 2.686 166 I HA 0.814 4.987 4.170 0.004 0.000 0.295 166 I C -0.692 175.513 176.117 0.147 0.000 1.114 166 I CA -0.882 60.424 61.300 0.010 0.000 1.038 166 I CB 2.157 40.227 38.000 0.116 0.000 1.238 166 I HN 0.882 nan 8.210 nan 0.000 0.420 167 A N 5.134 128.075 122.820 0.201 0.000 2.604 167 A HA 0.961 5.284 4.320 0.004 0.000 0.295 167 A C -1.818 175.969 177.584 0.339 0.000 1.067 167 A CA -0.106 52.071 52.037 0.233 0.000 0.683 167 A CB 1.682 20.758 19.000 0.127 0.000 1.281 167 A HN 1.270 nan 8.150 nan 0.000 0.407 168 A N 1.130 124.116 122.820 0.277 0.000 2.574 168 A HA 0.835 5.158 4.320 0.004 0.000 0.297 168 A C -1.569 176.156 177.584 0.235 0.000 1.062 168 A CA 0.018 52.216 52.037 0.268 0.000 0.686 168 A CB 1.462 20.561 19.000 0.165 0.000 1.285 168 A HN 1.486 nan 8.150 nan 0.000 0.403 169 D N -0.688 119.866 120.400 0.255 0.000 2.581 169 D HA 0.660 5.302 4.640 0.004 0.000 0.232 169 D C -0.923 175.518 176.300 0.234 0.000 1.143 169 D CA -0.286 53.842 54.000 0.213 0.000 0.881 169 D CB 1.188 42.100 40.800 0.187 0.000 1.500 169 D HN 0.772 nan 8.370 nan 0.000 0.458 170 W N 1.196 122.509 121.300 0.022 0.000 3.256 170 W HA 0.648 5.310 4.660 0.003 0.000 0.324 170 W C -1.850 174.672 176.519 0.005 0.000 1.196 170 W CA -0.597 56.749 57.345 0.002 0.000 1.206 170 W CB 2.076 31.531 29.460 -0.007 0.000 1.385 170 W HN 0.551 nan 8.180 nan 0.000 0.522 171 S N 4.100 119.056 115.700 -1.241 0.000 2.537 171 S HA 0.580 5.053 4.470 0.004 0.000 0.270 171 S C -0.939 172.908 174.600 -1.255 0.000 1.142 171 S CA -0.613 56.882 58.200 -1.174 0.000 0.870 171 S CB 0.792 63.701 63.200 -0.486 0.000 1.112 171 S HN 0.749 nan 8.310 nan 0.000 0.466 172 N N 2.034 120.149 118.700 -0.975 0.000 3.178 172 N HA 0.454 5.197 4.740 0.004 0.000 0.352 172 N C 0.053 175.396 175.510 -0.278 0.000 1.423 172 N CA -0.341 52.432 53.050 -0.462 0.000 0.698 172 N CB -0.648 37.700 38.487 -0.231 0.000 1.400 172 N HN 0.481 nan 8.380 nan 0.000 0.586 173 D N -0.996 119.309 120.400 -0.158 0.000 2.224 173 D HA 0.094 4.737 4.640 0.004 0.000 0.205 173 D C 1.172 177.390 176.300 -0.137 0.000 0.965 173 D CA 1.458 55.379 54.000 -0.131 0.000 0.852 173 D CB 0.043 40.790 40.800 -0.089 0.000 0.947 173 D HN 0.428 nan 8.370 nan 0.000 0.494 174 M N -0.768 118.765 119.600 -0.112 0.000 2.564 174 M HA 0.249 4.732 4.480 0.004 0.000 0.254 174 M C 0.117 176.398 176.300 -0.033 0.000 1.299 174 M CA 0.163 55.396 55.300 -0.112 0.000 1.143 174 M CB 1.497 34.071 32.600 -0.044 0.000 1.427 174 M HN -0.189 nan 8.290 nan 0.000 0.538 175 I N 0.448 121.022 120.570 0.006 0.000 2.493 175 I HA 0.349 4.522 4.170 0.004 0.000 0.298 175 I C -0.598 175.461 176.117 -0.097 0.000 0.998 175 I CA -0.519 60.831 61.300 0.083 0.000 1.137 175 I CB 2.051 40.192 38.000 0.236 0.000 1.310 175 I HN -0.031 nan 8.210 nan 0.000 0.445 176 S N 6.416 122.116 115.700 0.000 0.000 2.538 176 S HA 0.714 5.187 4.470 0.004 0.000 0.288 176 S C -0.678 173.985 174.600 0.104 0.000 1.108 176 S CA -0.624 57.556 58.200 -0.034 0.000 0.971 176 S CB 1.941 65.120 63.200 -0.035 0.000 1.041 176 S HN 0.341 nan 8.310 nan 0.000 0.483 177 L N 2.034 123.365 121.223 0.180 0.000 2.381 177 L HA 0.951 5.294 4.340 0.004 0.000 0.268 177 L C -0.398 176.530 176.870 0.098 0.000 0.997 177 L CA -0.678 54.255 54.840 0.156 0.000 0.818 177 L CB 1.986 44.190 42.059 0.242 0.000 1.310 177 L HN 0.788 nan 8.230 nan 0.000 0.416 178 A N 2.067 124.865 122.820 -0.038 0.000 2.574 178 A HA 0.973 5.296 4.320 0.004 0.000 0.297 178 A C -1.522 175.877 177.584 -0.309 0.000 1.062 178 A CA -0.245 51.757 52.037 -0.058 0.000 0.686 178 A CB 2.033 21.079 19.000 0.076 0.000 1.285 178 A HN 0.829 nan 8.150 nan 0.000 0.403 179 A N 0.031 122.766 122.820 -0.140 0.000 2.572 179 A HA 1.044 5.367 4.320 0.004 0.000 0.295 179 A C -0.499 177.150 177.584 0.108 0.000 1.072 179 A CA 0.038 51.984 52.037 -0.152 0.000 0.691 179 A CB 1.359 20.323 19.000 -0.060 0.000 1.291 179 A HN 2.691 nan 8.150 nan 0.000 0.404 180 A N 0.113 123.074 122.820 0.235 0.000 2.606 180 A HA 0.826 5.149 4.320 0.004 0.000 0.293 180 A C -1.830 176.030 177.584 0.460 0.000 1.082 180 A CA -0.410 51.827 52.037 0.333 0.000 0.685 180 A CB 1.280 20.466 19.000 0.309 0.000 1.284 180 A HN 2.044 nan 8.150 nan 0.000 0.408 181 Y N 0.089 120.537 120.300 0.246 0.000 2.442 181 Y HA 0.618 5.171 4.550 0.004 0.000 0.330 181 Y C -0.933 175.022 175.900 0.093 0.000 1.100 181 Y CA -0.104 58.102 58.100 0.177 0.000 1.034 181 Y CB 2.236 40.788 38.460 0.154 0.000 1.285 181 Y HN 0.703 nan 8.280 nan 0.000 0.440 182 T N 4.231 118.430 114.554 -0.592 0.000 2.937 182 T HA 0.403 4.755 4.350 0.004 0.000 0.297 182 T C -0.701 173.651 174.700 -0.580 0.000 0.991 182 T CA -0.757 61.064 62.100 -0.464 0.000 0.990 182 T CB 1.078 69.698 68.868 -0.413 0.000 0.991 182 T HN 0.668 nan 8.240 nan 0.000 0.440 183 T N 0.091 114.483 114.554 -0.271 0.000 2.907 183 T HA 0.458 4.811 4.350 0.004 0.000 0.284 183 T C -0.196 174.468 174.700 -0.060 0.000 1.004 183 T CA -0.722 61.294 62.100 -0.139 0.000 1.063 183 T CB 0.563 69.491 68.868 0.100 0.000 0.992 183 T HN 0.601 nan 8.240 nan 0.000 0.483 184 D N -0.154 120.204 120.400 -0.070 0.000 2.708 184 D HA -0.152 4.490 4.640 0.004 0.000 0.236 184 D C 0.501 176.724 176.300 -0.127 0.000 1.146 184 D CA 0.954 54.918 54.000 -0.061 0.000 0.662 184 D CB -1.735 39.068 40.800 0.004 0.000 1.059 184 D HN 1.137 nan 8.370 nan 0.000 0.428 185 A N -0.247 122.454 122.820 -0.198 0.000 2.567 185 A HA 0.425 4.748 4.320 0.004 0.000 0.240 185 A C 1.818 179.173 177.584 -0.383 0.000 1.053 185 A CA 1.188 53.064 52.037 -0.268 0.000 0.755 185 A CB 0.162 18.983 19.000 -0.299 0.000 0.978 185 A HN 1.291 nan 8.150 nan 0.000 0.507 186 G N 1.232 109.586 108.800 -0.745 0.000 2.155 186 G HA2 0.137 4.100 3.960 0.004 0.000 0.257 186 G HA3 0.137 4.100 3.960 0.004 0.000 0.257 186 G C 1.644 176.029 174.900 -0.860 0.000 0.983 186 G CA 0.997 45.376 45.100 -1.202 0.000 0.676 186 G HN 2.868 nan 8.290 nan 0.000 0.528 187 G N -1.261 107.265 108.800 -0.457 0.000 2.153 187 G HA2 -0.236 3.726 3.960 0.004 0.000 0.252 187 G HA3 -0.236 3.726 3.960 0.004 0.000 0.252 187 G C 0.253 175.125 174.900 -0.048 0.000 0.994 187 G CA 0.491 45.572 45.100 -0.033 0.000 0.698 187 G HN 1.403 nan 8.290 nan 0.000 0.521 188 I N 1.155 121.657 120.570 -0.113 0.000 2.312 188 I HA 0.316 4.488 4.170 0.004 0.000 0.290 188 I C 1.002 177.088 176.117 -0.051 0.000 1.008 188 I CA -1.149 60.107 61.300 -0.074 0.000 1.226 188 I CB 1.631 39.568 38.000 -0.104 0.000 1.371 188 I HN -0.095 nan 8.210 nan 0.000 0.468 189 V N 6.592 126.494 119.914 -0.020 0.000 2.617 189 V HA -0.070 4.052 4.120 0.004 0.000 0.304 189 V C 0.668 176.753 176.094 -0.015 0.000 1.040 189 V CA 0.524 62.820 62.300 -0.006 0.000 1.149 189 V CB 0.075 31.902 31.823 0.007 0.000 0.914 189 V HN 0.937 nan 8.190 nan 0.000 0.487 190 D N 1.951 122.346 120.400 -0.008 0.000 3.046 190 D HA -0.187 4.455 4.640 0.004 0.000 0.210 190 D C 0.516 176.797 176.300 -0.031 0.000 1.124 190 D CA 1.246 55.243 54.000 -0.006 0.000 0.986 190 D CB -1.166 39.637 40.800 0.005 0.000 1.118 190 D HN 0.770 nan 8.370 nan 0.000 0.416 191 N N 1.834 120.497 118.700 -0.063 0.000 2.895 191 N HA 0.074 4.816 4.740 0.004 0.000 0.277 191 N C -1.336 174.089 175.510 -0.142 0.000 1.185 191 N CA 0.122 53.111 53.050 -0.101 0.000 1.106 191 N CB 0.157 38.568 38.487 -0.127 0.000 1.422 191 N HN -0.037 nan 8.380 nan 0.000 0.521 192 D N 2.678 123.007 120.400 -0.118 0.000 2.317 192 D HA 0.234 4.877 4.640 0.004 0.000 0.234 192 D C 0.537 176.710 176.300 -0.210 0.000 1.112 192 D CA -0.218 53.667 54.000 -0.191 0.000 0.840 192 D CB 0.951 41.722 40.800 -0.049 0.000 1.078 192 D HN 0.496 nan 8.370 nan 0.000 0.486 193 I N -1.487 118.853 120.570 -0.383 0.000 2.750 193 I HA 0.906 5.079 4.170 0.004 0.000 0.308 193 I C -0.694 175.319 176.117 -0.173 0.000 1.016 193 I CA -1.063 60.049 61.300 -0.314 0.000 1.098 193 I CB 2.199 39.871 38.000 -0.547 0.000 1.279 193 I HN 0.282 nan 8.210 nan 0.000 0.454 194 A N 3.398 126.284 122.820 0.110 0.000 2.594 194 A HA 0.870 5.192 4.320 0.004 0.000 0.291 194 A C -1.744 176.134 177.584 0.491 0.000 1.105 194 A CA -0.445 51.836 52.037 0.405 0.000 0.694 194 A CB 1.896 21.209 19.000 0.521 0.000 1.291 194 A HN 0.826 nan 8.150 nan 0.000 0.410 195 F N 0.555 120.691 119.950 0.310 0.000 2.608 195 F HA 0.715 5.245 4.527 0.004 0.000 0.309 195 F C -1.779 174.092 175.800 0.118 0.000 1.103 195 F CA -0.963 57.069 58.000 0.054 0.000 0.954 195 F CB 1.939 40.861 39.000 -0.130 0.000 1.267 195 F HN 0.490 nan 8.300 nan 0.000 0.444 196 V N 4.281 123.913 119.914 -0.470 0.000 2.733 196 V HA 0.886 5.009 4.120 0.004 0.000 0.306 196 V C -0.242 175.361 176.094 -0.820 0.000 1.084 196 V CA -0.293 61.617 62.300 -0.649 0.000 0.905 196 V CB 1.422 33.159 31.823 -0.144 0.000 1.010 196 V HN 1.185 nan 8.190 nan 0.000 0.424 197 G N 2.261 110.524 108.800 -0.895 0.000 2.672 197 G HA2 0.951 4.913 3.960 0.004 0.000 0.292 197 G HA3 0.951 4.913 3.960 0.004 0.000 0.292 197 G C -1.294 173.525 174.900 -0.135 0.000 1.375 197 G CA -0.245 44.644 45.100 -0.351 0.000 0.890 197 G HN 1.267 nan 8.290 nan 0.000 0.476 198 A N -0.925 121.897 122.820 0.003 0.000 2.574 198 A HA 0.998 5.321 4.320 0.004 0.000 0.297 198 A C -0.581 177.049 177.584 0.076 0.000 1.062 198 A CA 0.014 52.075 52.037 0.040 0.000 0.686 198 A CB 1.619 20.628 19.000 0.016 0.000 1.285 198 A HN 2.336 nan 8.150 nan 0.000 0.403 199 A N 0.479 123.358 122.820 0.098 0.000 2.515 199 A HA 0.756 5.078 4.320 0.004 0.000 0.298 199 A C -1.844 175.843 177.584 0.172 0.000 1.059 199 A CA -0.416 51.682 52.037 0.102 0.000 0.698 199 A CB 1.289 20.364 19.000 0.124 0.000 1.289 199 A HN 1.766 nan 8.150 nan 0.000 0.404 200 Y N 1.080 121.397 120.300 0.030 0.000 2.338 200 Y HA 0.567 5.119 4.550 0.003 0.000 0.333 200 Y C -0.094 175.872 175.900 0.110 0.000 0.968 200 Y CA -0.888 57.250 58.100 0.064 0.000 1.123 200 Y CB 1.836 40.339 38.460 0.073 0.000 1.165 200 Y HN 0.633 nan 8.280 nan 0.000 0.452 201 K N 7.325 127.497 120.400 -0.379 0.000 2.184 201 K HA 0.182 4.505 4.320 0.004 0.000 0.259 201 K C -0.440 175.774 176.600 -0.642 0.000 1.119 201 K CA -0.398 55.655 56.287 -0.389 0.000 0.991 201 K CB -0.656 31.672 32.500 -0.286 0.000 1.522 201 K HN 0.610 nan 8.250 nan 0.000 0.405 202 F N 2.319 121.932 119.950 -0.563 0.000 2.740 202 F HA 0.397 4.926 4.527 0.003 0.000 0.294 202 F C -0.133 175.570 175.800 -0.161 0.000 1.225 202 F CA -0.597 57.156 58.000 -0.412 0.000 1.426 202 F CB -0.306 38.686 39.000 -0.013 0.000 1.021 202 F HN 0.363 nan 8.300 nan 0.000 0.508 203 N N 0.235 118.684 118.700 -0.418 0.000 3.386 203 N HA -0.047 4.695 4.740 0.004 0.000 0.292 203 N C -0.894 174.420 175.510 -0.326 0.000 1.315 203 N CA 0.278 53.136 53.050 -0.321 0.000 0.787 203 N CB 0.101 38.346 38.487 -0.404 0.000 1.682 203 N HN 0.099 nan 8.380 nan 0.000 0.371 204 D N -0.101 120.132 120.400 -0.278 0.000 2.349 204 D HA 0.403 5.046 4.640 0.004 0.000 0.214 204 D C 1.004 177.101 176.300 -0.339 0.000 1.063 204 D CA 0.373 54.219 54.000 -0.257 0.000 0.847 204 D CB 0.499 41.190 40.800 -0.181 0.000 0.933 204 D HN 0.475 nan 8.370 nan 0.000 0.513 205 A N 0.361 122.893 122.820 -0.480 0.000 2.055 205 A HA 0.558 4.880 4.320 0.004 0.000 0.205 205 A C 1.328 178.365 177.584 -0.912 0.000 1.235 205 A CA 0.466 52.064 52.037 -0.732 0.000 0.822 205 A CB 0.165 18.596 19.000 -0.948 0.000 0.903 205 A HN 0.239 nan 8.150 nan 0.000 0.473 206 G N -1.377 106.898 108.800 -0.874 0.000 2.511 206 G HA2 0.551 4.514 3.960 0.004 0.000 0.318 206 G HA3 0.551 4.514 3.960 0.004 0.000 0.318 206 G C -1.024 173.506 174.900 -0.616 0.000 1.210 206 G CA -0.229 44.408 45.100 -0.772 0.000 0.969 206 G HN 0.104 nan 8.290 nan 0.000 0.484 207 T N -0.725 113.766 114.554 -0.104 0.000 2.956 207 T HA 0.605 4.958 4.350 0.004 0.000 0.312 207 T C -0.700 174.171 174.700 0.285 0.000 1.151 207 T CA -0.492 61.669 62.100 0.102 0.000 1.024 207 T CB 1.628 70.532 68.868 0.061 0.000 1.140 207 T HN 1.365 nan 8.240 nan 0.000 0.473 208 V N -0.555 119.489 119.914 0.217 0.000 2.760 208 V HA 1.081 5.204 4.120 0.004 0.000 0.309 208 V C -0.266 175.698 176.094 -0.216 0.000 1.077 208 V CA -0.416 61.886 62.300 0.003 0.000 0.910 208 V CB 1.523 33.362 31.823 0.026 0.000 1.008 208 V HN 1.220 nan 8.190 nan 0.000 0.424 209 G N 2.482 110.877 108.800 -0.675 0.000 2.694 209 G HA2 0.765 4.728 3.960 0.004 0.000 0.290 209 G HA3 0.765 4.728 3.960 0.004 0.000 0.290 209 G C -2.093 172.573 174.900 -0.391 0.000 1.386 209 G CA -0.896 43.850 45.100 -0.590 0.000 0.872 209 G HN 1.364 nan 8.290 nan 0.000 0.475 210 L N 0.554 121.751 121.223 -0.043 0.000 2.476 210 L HA 0.599 4.942 4.340 0.004 0.000 0.269 210 L C -1.475 175.505 176.870 0.183 0.000 0.965 210 L CA -0.748 54.152 54.840 0.100 0.000 0.845 210 L CB 2.083 44.172 42.059 0.050 0.000 1.259 210 L HN 0.425 nan 8.230 nan 0.000 0.403 211 N N 3.646 122.498 118.700 0.253 0.000 2.361 211 N HA 0.467 5.209 4.740 0.004 0.000 0.302 211 N C -1.883 173.676 175.510 0.081 0.000 1.074 211 N CA -0.225 52.931 53.050 0.176 0.000 0.850 211 N CB 2.047 40.658 38.487 0.206 0.000 1.228 211 N HN 0.672 nan 8.380 nan 0.000 0.491 212 W N 3.119 124.267 121.300 -0.253 0.000 2.785 212 W HA 0.533 5.196 4.660 0.004 0.000 0.333 212 W C -1.726 174.598 176.519 -0.324 0.000 1.062 212 W CA -0.533 56.704 57.345 -0.179 0.000 1.233 212 W CB 0.717 30.116 29.460 -0.100 0.000 1.413 212 W HN 0.394 nan 8.180 nan 0.000 0.489 213 Y N 4.208 123.907 120.300 -1.001 0.000 2.512 213 Y HA 0.265 4.818 4.550 0.005 0.000 0.348 213 Y C -0.364 174.750 175.900 -1.309 0.000 0.990 213 Y CA -1.120 56.418 58.100 -0.938 0.000 1.033 213 Y CB 1.885 40.148 38.460 -0.327 0.000 1.259 213 Y HN 0.287 nan 8.280 nan 0.000 0.461 214 D N 1.728 121.658 120.400 -0.783 0.000 2.373 214 D HA 0.153 4.795 4.640 0.004 0.000 0.227 214 D C -0.377 175.838 176.300 -0.141 0.000 1.091 214 D CA -0.199 53.597 54.000 -0.340 0.000 0.840 214 D CB 0.617 41.374 40.800 -0.071 0.000 1.060 214 D HN 0.574 nan 8.370 nan 0.000 0.502 215 N N 2.983 121.610 118.700 -0.122 0.000 2.362 215 N HA 0.133 4.875 4.740 0.004 0.000 0.211 215 N C 1.319 176.763 175.510 -0.110 0.000 1.170 215 N CA 0.347 53.327 53.050 -0.118 0.000 0.828 215 N CB 0.518 38.930 38.487 -0.125 0.000 1.034 215 N HN 0.741 nan 8.380 nan 0.000 0.475 216 G N 1.659 110.406 108.800 -0.089 0.000 2.651 216 G HA2 -0.345 3.618 3.960 0.004 0.000 0.315 216 G HA3 -0.345 3.618 3.960 0.004 0.000 0.315 216 G C 0.775 175.638 174.900 -0.061 0.000 1.258 216 G CA 0.303 45.358 45.100 -0.075 0.000 1.002 216 G HN 0.348 nan 8.290 nan 0.000 0.551 217 L N 1.556 122.737 121.223 -0.069 0.000 2.610 217 L HA 0.218 4.560 4.340 0.004 0.000 0.232 217 L C 2.005 178.837 176.870 -0.064 0.000 1.149 217 L CA 0.666 55.472 54.840 -0.056 0.000 0.872 217 L CB -0.412 41.614 42.059 -0.055 0.000 0.992 217 L HN 0.522 nan 8.230 nan 0.000 0.447 218 S N 0.025 115.677 115.700 -0.080 0.000 2.563 218 S HA -0.057 4.415 4.470 0.004 0.000 0.284 218 S C 1.617 176.171 174.600 -0.076 0.000 1.331 218 S CA 0.188 58.337 58.200 -0.085 0.000 1.047 218 S CB 0.917 64.055 63.200 -0.103 0.000 0.859 218 S HN 0.449 nan 8.310 nan 0.000 0.514 219 T N 2.072 116.582 114.554 -0.074 0.000 3.113 219 T HA 0.077 4.430 4.350 0.004 0.000 0.263 219 T C 1.699 176.344 174.700 -0.092 0.000 1.143 219 T CA 0.752 62.811 62.100 -0.069 0.000 1.090 219 T CB -0.433 68.400 68.868 -0.058 0.000 0.922 219 T HN 0.706 nan 8.240 nan 0.000 0.521 220 A N 1.365 124.110 122.820 -0.125 0.000 2.014 220 A HA 0.502 4.825 4.320 0.004 0.000 0.218 220 A C 1.797 179.294 177.584 -0.144 0.000 1.163 220 A CA 0.894 52.820 52.037 -0.185 0.000 0.652 220 A CB -1.321 17.526 19.000 -0.254 0.000 0.808 220 A HN 1.355 nan 8.150 nan 0.000 0.449 221 G N -0.469 108.271 108.800 -0.099 0.000 2.645 221 G HA2 -0.175 3.788 3.960 0.004 0.000 0.239 221 G HA3 -0.175 3.788 3.960 0.004 0.000 0.239 221 G C -0.813 174.045 174.900 -0.070 0.000 1.331 221 G CA -0.054 45.010 45.100 -0.060 0.000 0.890 221 G HN 0.423 nan 8.290 nan 0.000 0.572 222 D N 0.803 121.188 120.400 -0.025 0.000 2.368 222 D HA 0.506 5.148 4.640 0.004 0.000 0.240 222 D C 0.779 177.055 176.300 -0.040 0.000 1.169 222 D CA 0.765 54.741 54.000 -0.040 0.000 0.906 222 D CB 1.064 41.938 40.800 0.122 0.000 1.187 222 D HN 0.744 nan 8.370 nan 0.000 0.435 223 Q N 0.002 119.747 119.800 -0.090 0.000 2.416 223 Q HA 0.632 4.975 4.340 0.004 0.000 0.281 223 Q C -2.112 173.961 176.000 0.123 0.000 1.067 223 Q CA -0.864 54.962 55.803 0.038 0.000 0.809 223 Q CB 2.410 31.182 28.738 0.056 0.000 1.418 223 Q HN 0.291 nan 8.270 nan 0.000 0.411 224 V N 1.997 122.048 119.914 0.228 0.000 2.760 224 V HA 0.719 4.842 4.120 0.004 0.000 0.309 224 V C -1.570 174.708 176.094 0.307 0.000 1.077 224 V CA -0.045 62.420 62.300 0.276 0.000 0.910 224 V CB 2.462 34.455 31.823 0.283 0.000 1.008 224 V HN 0.917 nan 8.190 nan 0.000 0.424 225 T N 7.501 122.247 114.554 0.320 0.000 2.841 225 T HA 0.591 4.944 4.350 0.004 0.000 0.285 225 T C -1.087 173.823 174.700 0.350 0.000 0.991 225 T CA -0.227 62.087 62.100 0.357 0.000 0.966 225 T CB 1.271 70.355 68.868 0.359 0.000 0.962 225 T HN 0.750 nan 8.240 nan 0.000 0.438 226 L N 5.428 126.855 121.223 0.340 0.000 2.325 226 L HA 0.783 5.126 4.340 0.004 0.000 0.281 226 L C -1.312 175.763 176.870 0.341 0.000 1.004 226 L CA -0.608 54.382 54.840 0.250 0.000 0.823 226 L CB 0.547 42.701 42.059 0.158 0.000 1.236 226 L HN 0.712 nan 8.230 nan 0.000 0.415 227 Y N 2.610 123.031 120.300 0.200 0.000 2.609 227 Y HA 1.023 5.576 4.550 0.005 0.000 0.342 227 Y C -0.295 175.721 175.900 0.193 0.000 1.058 227 Y CA -0.906 57.330 58.100 0.226 0.000 1.055 227 Y CB 1.606 40.198 38.460 0.219 0.000 1.292 227 Y HN 0.788 nan 8.280 nan 0.000 0.476 228 G N 1.182 110.163 108.800 0.302 0.000 2.698 228 G HA2 0.516 4.479 3.960 0.004 0.000 0.293 228 G HA3 0.516 4.479 3.960 0.004 0.000 0.293 228 G C -2.387 172.699 174.900 0.310 0.000 1.437 228 G CA -1.313 43.925 45.100 0.230 0.000 0.852 228 G HN 1.180 nan 8.290 nan 0.000 0.499 229 N N -0.943 117.923 118.700 0.277 0.000 2.405 229 N HA 0.502 5.245 4.740 0.004 0.000 0.274 229 N C -2.279 173.339 175.510 0.181 0.000 1.170 229 N CA -0.733 52.452 53.050 0.225 0.000 0.848 229 N CB 2.931 41.528 38.487 0.183 0.000 1.629 229 N HN 0.492 nan 8.380 nan 0.000 0.481 230 Y N 0.530 120.805 120.300 -0.042 0.000 2.396 230 Y HA 0.580 5.132 4.550 0.003 0.000 0.332 230 Y C -1.260 174.429 175.900 -0.352 0.000 1.034 230 Y CA -0.511 57.442 58.100 -0.244 0.000 1.057 230 Y CB 1.932 40.221 38.460 -0.285 0.000 1.220 230 Y HN 0.877 nan 8.280 nan 0.000 0.440 231 A N 5.456 127.822 122.820 -0.756 0.000 2.274 231 A HA 0.618 4.940 4.320 0.004 0.000 0.309 231 A C -1.643 175.610 177.584 -0.552 0.000 1.226 231 A CA -0.287 51.463 52.037 -0.478 0.000 0.853 231 A CB -0.233 18.559 19.000 -0.348 0.000 1.146 231 A HN 0.620 nan 8.150 nan 0.000 0.518 232 F N 3.080 123.028 119.950 -0.003 0.000 2.389 232 F HA 0.497 5.027 4.527 0.004 0.000 0.327 232 F C 1.305 177.130 175.800 0.041 0.000 1.204 232 F CA 0.517 58.555 58.000 0.063 0.000 1.209 232 F CB 0.600 39.685 39.000 0.142 0.000 1.460 232 F HN 1.100 nan 8.300 nan 0.000 0.537 233 G N 1.778 110.648 108.800 0.116 0.000 2.559 233 G HA2 -0.296 3.667 3.960 0.004 0.000 0.282 233 G HA3 -0.296 3.667 3.960 0.004 0.000 0.282 233 G C 1.129 176.062 174.900 0.056 0.000 1.177 233 G CA 0.236 45.386 45.100 0.083 0.000 0.960 233 G HN 0.785 nan 8.290 nan 0.000 0.540 234 A N -0.143 122.729 122.820 0.086 0.000 2.238 234 A HA 0.574 4.897 4.320 0.004 0.000 0.210 234 A C 1.464 179.093 177.584 0.075 0.000 1.179 234 A CA 2.279 54.310 52.037 -0.009 0.000 0.827 234 A CB -0.246 18.658 19.000 -0.160 0.000 0.856 234 A HN 2.113 nan 8.150 nan 0.000 0.488 235 T N -0.126 114.572 114.554 0.240 0.000 2.767 235 T HA 0.513 4.865 4.350 0.004 0.000 0.284 235 T C -0.493 174.364 174.700 0.261 0.000 0.973 235 T CA -0.251 62.036 62.100 0.312 0.000 0.996 235 T CB 0.883 69.984 68.868 0.389 0.000 0.927 235 T HN 0.018 nan 8.240 nan 0.000 0.456 236 T N 4.419 119.092 114.554 0.199 0.000 2.794 236 T HA 0.546 4.898 4.350 0.004 0.000 0.280 236 T C -0.357 174.468 174.700 0.209 0.000 0.987 236 T CA -0.550 61.638 62.100 0.147 0.000 0.993 236 T CB 1.325 70.237 68.868 0.074 0.000 0.939 236 T HN 0.600 nan 8.240 nan 0.000 0.449 237 V N 4.802 124.860 119.914 0.241 0.000 2.435 237 V HA 0.563 4.686 4.120 0.004 0.000 0.290 237 V C 0.088 176.318 176.094 0.226 0.000 1.030 237 V CA -0.740 61.720 62.300 0.267 0.000 0.881 237 V CB 1.498 33.546 31.823 0.376 0.000 0.983 237 V HN 0.743 nan 8.190 nan 0.000 0.445 238 R N 2.747 123.376 120.500 0.215 0.000 2.750 238 R HA 0.920 5.262 4.340 0.004 0.000 0.281 238 R C -0.908 175.534 176.300 0.237 0.000 0.972 238 R CA -0.604 55.636 56.100 0.233 0.000 0.912 238 R CB 2.412 32.851 30.300 0.231 0.000 1.187 238 R HN 0.809 nan 8.270 nan 0.000 0.464 239 A N 1.432 124.416 122.820 0.274 0.000 2.609 239 A HA 0.759 5.082 4.320 0.004 0.000 0.291 239 A C -1.931 175.873 177.584 0.367 0.000 1.096 239 A CA -0.759 51.423 52.037 0.242 0.000 0.684 239 A CB 1.524 20.621 19.000 0.163 0.000 1.282 239 A HN 0.780 nan 8.150 nan 0.000 0.412 240 Y N -1.823 118.618 120.300 0.235 0.000 2.677 240 Y HA 0.720 5.273 4.550 0.004 0.000 0.334 240 Y C -1.115 174.930 175.900 0.242 0.000 1.196 240 Y CA -1.093 57.162 58.100 0.258 0.000 1.059 240 Y CB 1.015 39.636 38.460 0.270 0.000 1.315 240 Y HN 1.514 nan 8.280 nan 0.000 0.455 241 V N -0.574 119.584 119.914 0.408 0.000 2.841 241 V HA 0.919 5.041 4.120 0.004 0.000 0.310 241 V C -0.943 175.417 176.094 0.444 0.000 1.090 241 V CA -0.373 62.115 62.300 0.312 0.000 0.930 241 V CB 1.301 33.241 31.823 0.195 0.000 1.014 241 V HN 1.153 nan 8.190 nan 0.000 0.425 242 S N 1.678 117.631 115.700 0.423 0.000 2.540 242 S HA 0.657 5.130 4.470 0.004 0.000 0.275 242 S C -1.744 173.148 174.600 0.486 0.000 1.123 242 S CA -0.552 57.920 58.200 0.454 0.000 0.907 242 S CB 1.913 65.430 63.200 0.528 0.000 1.081 242 S HN 0.979 nan 8.310 nan 0.000 0.476 243 D N 2.955 123.611 120.400 0.427 0.000 2.646 243 D HA 0.535 5.178 4.640 0.004 0.000 0.245 243 D C -0.289 176.128 176.300 0.196 0.000 1.099 243 D CA -0.274 53.932 54.000 0.344 0.000 0.849 243 D CB 1.845 42.776 40.800 0.219 0.000 1.448 243 D HN 0.682 nan 8.370 nan 0.000 0.489 244 I N -2.034 118.548 120.570 0.020 0.000 3.023 244 I HA 0.451 4.623 4.170 0.004 0.000 0.312 244 I C 0.290 176.371 176.117 -0.060 0.000 1.056 244 I CA -0.766 60.443 61.300 -0.151 0.000 1.033 244 I CB 1.666 39.356 38.000 -0.516 0.000 1.233 244 I HN -0.046 nan 8.210 nan 0.000 0.462 245 D N 0.714 121.081 120.400 -0.055 0.000 2.347 245 D HA 0.027 4.669 4.640 0.004 0.000 0.213 245 D C 0.785 177.065 176.300 -0.033 0.000 0.985 245 D CA 0.498 54.489 54.000 -0.014 0.000 0.879 245 D CB 0.041 40.845 40.800 0.006 0.000 0.919 245 D HN 0.423 nan 8.370 nan 0.000 0.526 246 R N 0.997 121.452 120.500 -0.076 0.000 2.537 246 R HA 0.115 4.458 4.340 0.004 0.000 0.281 246 R C -0.114 176.170 176.300 -0.027 0.000 0.988 246 R CA -0.142 55.921 56.100 -0.062 0.000 1.077 246 R CB 0.377 30.621 30.300 -0.093 0.000 0.932 246 R HN -0.080 nan 8.270 nan 0.000 0.409 247 A N 3.284 126.096 122.820 -0.015 0.000 2.545 247 A HA 0.322 4.645 4.320 0.004 0.000 0.253 247 A C 1.345 178.931 177.584 0.004 0.000 1.074 247 A CA 0.682 52.718 52.037 -0.001 0.000 0.760 247 A CB -0.185 18.814 19.000 -0.001 0.000 1.005 247 A HN 1.076 nan 8.150 nan 0.000 0.506 248 G N 1.205 110.014 108.800 0.015 0.000 2.199 248 G HA2 0.105 4.067 3.960 0.004 0.000 0.254 248 G HA3 0.105 4.067 3.960 0.004 0.000 0.254 248 G C 0.712 175.631 174.900 0.032 0.000 0.982 248 G CA 0.505 45.617 45.100 0.020 0.000 0.632 248 G HN 2.242 nan 8.290 nan 0.000 0.529 249 A N 0.292 123.133 122.820 0.035 0.000 2.520 249 A HA 0.481 4.804 4.320 0.004 0.000 0.235 249 A C 0.434 178.083 177.584 0.108 0.000 1.065 249 A CA 0.666 52.746 52.037 0.072 0.000 0.764 249 A CB 0.266 19.296 19.000 0.049 0.000 1.002 249 A HN 0.332 nan 8.150 nan 0.000 0.502 250 D N 0.531 121.011 120.400 0.134 0.000 2.348 250 D HA 0.331 4.974 4.640 0.004 0.000 0.249 250 D C 0.057 176.472 176.300 0.192 0.000 1.110 250 D CA 0.317 54.389 54.000 0.119 0.000 0.967 250 D CB 0.804 41.636 40.800 0.054 0.000 1.139 250 D HN 0.467 nan 8.370 nan 0.000 0.466 251 T N 0.783 115.436 114.554 0.166 0.000 2.851 251 T HA 0.433 4.786 4.350 0.004 0.000 0.298 251 T C 0.176 174.944 174.700 0.114 0.000 0.977 251 T CA -0.446 61.775 62.100 0.201 0.000 1.126 251 T CB 0.801 69.779 68.868 0.183 0.000 0.916 251 T HN 0.368 nan 8.240 nan 0.000 0.529 252 A N 3.570 126.375 122.820 -0.025 0.000 2.293 252 A HA 0.767 5.090 4.320 0.004 0.000 0.302 252 A C -0.761 176.815 177.584 -0.014 0.000 1.119 252 A CA -0.648 51.191 52.037 -0.329 0.000 0.823 252 A CB 0.238 18.714 19.000 -0.873 0.000 1.097 252 A HN 0.911 nan 8.150 nan 0.000 0.491 253 Y N -1.665 118.506 120.300 -0.216 0.000 2.624 253 Y HA 0.755 5.307 4.550 0.005 0.000 0.334 253 Y C -0.190 175.327 175.900 -0.638 0.000 1.155 253 Y CA -0.780 57.044 58.100 -0.460 0.000 1.046 253 Y CB 0.805 39.118 38.460 -0.245 0.000 1.316 253 Y HN 1.094 nan 8.280 nan 0.000 0.457 254 G N 1.747 110.033 108.800 -0.858 0.000 2.718 254 G HA2 0.618 4.581 3.960 0.004 0.000 0.295 254 G HA3 0.618 4.581 3.960 0.004 0.000 0.295 254 G C -2.472 172.361 174.900 -0.111 0.000 1.421 254 G CA -0.914 43.926 45.100 -0.433 0.000 0.902 254 G HN 0.862 nan 8.290 nan 0.000 0.501 255 I N 0.841 121.440 120.570 0.049 0.000 2.569 255 I HA 0.818 4.990 4.170 0.004 0.000 0.290 255 I C -0.217 175.974 176.117 0.123 0.000 1.088 255 I CA -0.372 60.990 61.300 0.104 0.000 1.047 255 I CB 1.609 39.671 38.000 0.103 0.000 1.237 255 I HN 0.939 nan 8.210 nan 0.000 0.421 256 G N 4.916 113.804 108.800 0.147 0.000 2.645 256 G HA2 0.863 4.826 3.960 0.004 0.000 0.292 256 G HA3 0.863 4.826 3.960 0.004 0.000 0.292 256 G C -2.125 172.866 174.900 0.152 0.000 1.415 256 G CA -0.266 44.918 45.100 0.141 0.000 0.785 256 G HN 0.918 nan 8.290 nan 0.000 0.483 257 A N -0.033 122.872 122.820 0.142 0.000 2.549 257 A HA 0.785 5.107 4.320 0.004 0.000 0.297 257 A C -1.856 175.819 177.584 0.150 0.000 1.061 257 A CA -0.675 51.456 52.037 0.157 0.000 0.690 257 A CB 1.998 21.090 19.000 0.152 0.000 1.287 257 A HN 0.475 nan 8.150 nan 0.000 0.402 258 D N 0.224 120.723 120.400 0.164 0.000 2.481 258 D HA 0.495 5.138 4.640 0.004 0.000 0.244 258 D C -1.697 174.738 176.300 0.225 0.000 1.057 258 D CA 0.225 54.319 54.000 0.157 0.000 0.848 258 D CB 2.054 42.919 40.800 0.108 0.000 1.388 258 D HN 0.449 nan 8.370 nan 0.000 0.475 259 Y N 1.160 121.507 120.300 0.078 0.000 2.326 259 Y HA 0.240 4.793 4.550 0.004 0.000 0.329 259 Y C -0.589 175.374 175.900 0.106 0.000 0.973 259 Y CA -0.874 57.282 58.100 0.092 0.000 1.162 259 Y CB 1.542 40.059 38.460 0.095 0.000 1.147 259 Y HN 0.097 nan 8.280 nan 0.000 0.456 260 Q N 5.897 125.427 119.800 -0.449 0.000 2.452 260 Q HA 0.150 4.492 4.340 0.004 0.000 0.230 260 Q C 0.250 175.942 176.000 -0.513 0.000 1.180 260 Q CA 0.185 55.789 55.803 -0.332 0.000 0.914 260 Q CB -0.253 28.353 28.738 -0.221 0.000 1.408 260 Q HN 0.826 nan 8.270 nan 0.000 0.520 261 F N 2.331 122.037 119.950 -0.406 0.000 2.216 261 F HA 0.150 4.679 4.527 0.005 0.000 0.300 261 F C 0.283 176.011 175.800 -0.120 0.000 1.085 261 F CA 1.048 58.921 58.000 -0.212 0.000 1.326 261 F CB 0.323 39.346 39.000 0.038 0.000 1.027 261 F HN 0.513 nan 8.300 nan 0.000 0.497 262 A N -0.578 122.164 122.820 -0.129 0.000 2.566 262 A HA 0.292 4.614 4.320 0.004 0.000 0.290 262 A C -0.873 176.688 177.584 -0.040 0.000 1.071 262 A CA -0.749 51.197 52.037 -0.151 0.000 0.658 262 A CB 0.029 18.938 19.000 -0.151 0.000 1.285 262 A HN 0.109 nan 8.150 nan 0.000 0.427 263 E N 0.013 120.192 120.200 -0.035 0.000 2.417 263 E HA 0.354 4.707 4.350 0.004 0.000 0.261 263 E C 1.270 177.892 176.600 0.037 0.000 1.000 263 E CA 1.417 57.812 56.400 -0.009 0.000 0.919 263 E CB 0.144 29.840 29.700 -0.008 0.000 0.955 263 E HN 2.100 nan 8.360 nan 0.000 0.455 264 G N 2.770 111.593 108.800 0.037 0.000 2.184 264 G HA2 -0.264 3.699 3.960 0.004 0.000 0.264 264 G HA3 -0.264 3.699 3.960 0.004 0.000 0.264 264 G C -0.046 174.924 174.900 0.116 0.000 0.975 264 G CA 0.289 45.430 45.100 0.068 0.000 0.642 264 G HN 0.496 nan 8.290 nan 0.000 0.536 265 V N 0.439 120.429 119.914 0.127 0.000 2.443 265 V HA 0.658 4.780 4.120 0.004 0.000 0.293 265 V C 0.022 176.195 176.094 0.133 0.000 1.021 265 V CA -0.643 61.769 62.300 0.186 0.000 0.848 265 V CB 1.780 33.783 31.823 0.301 0.000 0.998 265 V HN 0.384 nan 8.190 nan 0.000 0.424 266 K N 3.920 124.371 120.400 0.084 0.000 2.376 266 K HA 0.726 5.049 4.320 0.004 0.000 0.257 266 K C -1.351 175.279 176.600 0.051 0.000 0.939 266 K CA -0.490 55.830 56.287 0.055 0.000 0.809 266 K CB 2.055 34.563 32.500 0.013 0.000 1.121 266 K HN 0.462 nan 8.250 nan 0.000 0.425 267 V N 3.250 123.221 119.914 0.096 0.000 2.407 267 V HA 0.438 4.561 4.120 0.004 0.000 0.278 267 V C -0.488 175.660 176.094 0.090 0.000 1.037 267 V CA -0.429 61.908 62.300 0.062 0.000 0.900 267 V CB 1.335 33.220 31.823 0.103 0.000 0.983 267 V HN 0.837 nan 8.190 nan 0.000 0.459 268 S N 2.237 117.976 115.700 0.064 0.000 2.595 268 S HA 0.933 5.405 4.470 0.004 0.000 0.281 268 S C -0.013 174.654 174.600 0.113 0.000 1.117 268 S CA -0.492 57.770 58.200 0.104 0.000 0.873 268 S CB 2.225 65.493 63.200 0.114 0.000 1.108 268 S HN 1.147 nan 8.310 nan 0.000 0.477 269 G N 0.562 109.431 108.800 0.115 0.000 2.704 269 G HA2 0.713 4.676 3.960 0.004 0.000 0.293 269 G HA3 0.713 4.676 3.960 0.004 0.000 0.293 269 G C -1.272 173.694 174.900 0.110 0.000 1.421 269 G CA -0.519 44.650 45.100 0.114 0.000 0.870 269 G HN 1.122 nan 8.290 nan 0.000 0.492 270 S N -1.377 114.386 115.700 0.105 0.000 2.547 270 S HA 0.736 5.209 4.470 0.004 0.000 0.270 270 S C -1.631 173.024 174.600 0.092 0.000 1.150 270 S CA -0.721 57.538 58.200 0.100 0.000 0.850 270 S CB 1.924 65.185 63.200 0.101 0.000 1.118 270 S HN 1.161 nan 8.310 nan 0.000 0.461 271 V N 2.225 122.192 119.914 0.088 0.000 2.483 271 V HA 0.593 4.716 4.120 0.004 0.000 0.297 271 V C -0.665 175.463 176.094 0.056 0.000 1.027 271 V CA -0.343 62.007 62.300 0.082 0.000 0.855 271 V CB 1.382 33.252 31.823 0.078 0.000 0.995 271 V HN 0.950 nan 8.190 nan 0.000 0.424 272 Q N 1.906 121.736 119.800 0.049 0.000 2.423 272 Q HA 0.707 5.050 4.340 0.004 0.000 0.278 272 Q C -0.994 174.974 176.000 -0.053 0.000 1.097 272 Q CA -0.635 55.178 55.803 0.017 0.000 0.809 272 Q CB 2.781 31.625 28.738 0.177 0.000 1.391 272 Q HN 0.633 nan 8.270 nan 0.000 0.428 273 S N -0.065 115.430 115.700 -0.341 0.000 2.594 273 S HA 0.710 5.183 4.470 0.004 0.000 0.296 273 S C -0.468 173.687 174.600 -0.741 0.000 1.124 273 S CA -0.435 57.441 58.200 -0.540 0.000 1.011 273 S CB 1.051 63.641 63.200 -1.018 0.000 1.016 273 S HN 0.730 nan 8.310 nan 0.000 0.485 274 G N 2.121 110.299 108.800 -1.036 0.000 2.543 274 G HA2 0.470 4.433 3.960 0.004 0.000 0.290 274 G HA3 0.470 4.433 3.960 0.004 0.000 0.290 274 G C 0.118 174.464 174.900 -0.923 0.000 1.310 274 G CA -0.535 43.487 45.100 -1.797 0.000 1.025 274 G HN 0.678 nan 8.290 nan 0.000 0.502 275 F N 0.027 119.663 119.950 -0.523 0.000 2.502 275 F HA 0.194 4.724 4.527 0.004 0.000 0.298 275 F C 2.327 178.029 175.800 -0.164 0.000 1.111 275 F CA 0.896 58.763 58.000 -0.221 0.000 1.445 275 F CB 0.185 39.111 39.000 -0.125 0.000 1.081 275 F HN 0.347 nan 8.300 nan 0.000 0.558 276 A N -0.537 122.251 122.820 -0.053 0.000 2.637 276 A HA 0.336 4.659 4.320 0.004 0.000 0.293 276 A C 0.829 178.367 177.584 -0.077 0.000 1.216 276 A CA -0.087 51.929 52.037 -0.034 0.000 0.956 276 A CB -0.635 18.357 19.000 -0.014 0.000 1.174 276 A HN 0.236 nan 8.150 nan 0.000 0.525 277 N N -0.083 118.543 118.700 -0.124 0.000 2.800 277 N HA -0.149 4.593 4.740 0.004 0.000 0.250 277 N C -0.674 174.761 175.510 -0.124 0.000 1.078 277 N CA 1.332 54.314 53.050 -0.113 0.000 0.804 277 N CB -1.363 37.097 38.487 -0.045 0.000 1.135 277 N HN 0.711 nan 8.380 nan 0.000 0.565 278 E N -0.286 119.811 120.200 -0.172 0.000 2.384 278 E HA 0.228 4.581 4.350 0.004 0.000 0.266 278 E C -0.016 176.537 176.600 -0.078 0.000 1.012 278 E CA 0.450 56.789 56.400 -0.100 0.000 0.901 278 E CB 0.532 30.203 29.700 -0.048 0.000 0.967 278 E HN 0.108 nan 8.360 nan 0.000 0.435 279 T N 2.410 116.952 114.554 -0.020 0.000 2.772 279 T HA 0.481 4.833 4.350 0.004 0.000 0.288 279 T C -0.624 174.113 174.700 0.062 0.000 0.994 279 T CA -0.822 61.297 62.100 0.032 0.000 0.951 279 T CB 0.480 69.395 68.868 0.077 0.000 0.933 279 T HN 0.350 nan 8.240 nan 0.000 0.447 280 V N 0.567 120.554 119.914 0.122 0.000 2.823 280 V HA 1.065 5.188 4.120 0.004 0.000 0.312 280 V C -0.578 175.623 176.094 0.178 0.000 1.072 280 V CA -1.223 61.146 62.300 0.116 0.000 0.937 280 V CB 1.498 33.359 31.823 0.065 0.000 1.013 280 V HN 1.040 nan 8.190 nan 0.000 0.430 281 A N 3.100 126.065 122.820 0.242 0.000 2.549 281 A HA 0.953 5.276 4.320 0.004 0.000 0.297 281 A C -1.378 176.317 177.584 0.184 0.000 1.061 281 A CA -0.084 52.075 52.037 0.204 0.000 0.690 281 A CB 1.964 21.082 19.000 0.196 0.000 1.287 281 A HN 1.525 nan 8.150 nan 0.000 0.402 282 D N -0.879 119.613 120.400 0.152 0.000 2.599 282 D HA 0.621 5.264 4.640 0.004 0.000 0.252 282 D C -1.572 174.853 176.300 0.209 0.000 1.232 282 D CA -0.660 53.471 54.000 0.218 0.000 0.819 282 D CB 1.717 42.643 40.800 0.210 0.000 1.401 282 D HN 1.188 nan 8.370 nan 0.000 0.429 283 V N -0.175 119.863 119.914 0.207 0.000 2.737 283 V HA 0.817 4.940 4.120 0.004 0.000 0.298 283 V C -0.601 175.306 176.094 -0.312 0.000 1.163 283 V CA 0.622 62.939 62.300 0.027 0.000 0.925 283 V CB 0.898 32.718 31.823 -0.005 0.000 1.037 283 V HN 1.308 nan 8.190 nan 0.000 0.433 284 G N 4.268 112.779 108.800 -0.481 0.000 2.488 284 G HA2 0.650 4.613 3.960 0.004 0.000 0.301 284 G HA3 0.650 4.613 3.960 0.004 0.000 0.301 284 G C -1.609 172.980 174.900 -0.519 0.000 1.339 284 G CA 0.127 44.666 45.100 -0.936 0.000 0.803 284 G HN 1.361 nan 8.290 nan 0.000 0.482 285 V N -0.886 118.672 119.914 -0.594 0.000 2.769 285 V HA 0.849 4.972 4.120 0.004 0.000 0.312 285 V C -0.055 175.941 176.094 -0.162 0.000 1.061 285 V CA -1.063 61.037 62.300 -0.334 0.000 0.931 285 V CB 1.751 33.324 31.823 -0.416 0.000 1.010 285 V HN 0.946 nan 8.190 nan 0.000 0.433 286 R N 3.013 123.497 120.500 -0.026 0.000 2.534 286 R HA 0.715 5.058 4.340 0.004 0.000 0.301 286 R C -1.847 174.507 176.300 0.090 0.000 0.961 286 R CA -0.534 55.542 56.100 -0.040 0.000 0.871 286 R CB 1.757 31.966 30.300 -0.152 0.000 1.170 286 R HN 0.816 nan 8.270 nan 0.000 0.446 287 F N 0.598 120.556 119.950 0.013 0.000 2.539 287 F HA 0.493 5.023 4.527 0.004 0.000 0.318 287 F C -1.241 174.557 175.800 -0.003 0.000 1.135 287 F CA -1.295 56.736 58.000 0.052 0.000 0.915 287 F CB 1.455 40.537 39.000 0.137 0.000 1.176 287 F HN 0.343 nan 8.300 nan 0.000 0.440 288 D N 4.148 124.572 120.400 0.039 0.000 2.177 288 D HA 0.578 5.220 4.640 0.004 0.000 0.247 288 D C -0.631 175.666 176.300 -0.006 0.000 1.063 288 D CA 0.145 54.061 54.000 -0.140 0.000 0.867 288 D CB 1.376 42.136 40.800 -0.066 0.000 1.168 288 D HN 0.449 nan 8.370 nan 0.000 0.445 289 F N 0.000 120.047 119.950 0.161 0.000 2.286 289 F HA 0.000 4.530 4.527 0.005 0.000 0.279 289 F CA 0.000 58.089 58.000 0.149 0.000 1.383 289 F CB 0.000 39.110 39.000 0.184 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574