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 3n2c_1_L DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.694 174.700 -0.010 0.000 1.109 2 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 2 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 3 I N 2.206 122.768 120.570 -0.012 0.000 2.533 3 I HA 0.700 4.872 4.170 0.004 0.000 0.290 3 I C -1.620 174.486 176.117 -0.019 0.000 1.056 3 I CA -0.200 61.091 61.300 -0.014 0.000 1.057 3 I CB 2.169 40.161 38.000 -0.014 0.000 1.240 3 I HN 0.115 nan 8.210 nan 0.000 0.423 4 T N 6.038 120.580 114.554 -0.021 0.000 2.885 4 T HA 0.604 4.957 4.350 0.004 0.000 0.285 4 T C -0.935 173.748 174.700 -0.028 0.000 1.019 4 T CA -0.536 61.547 62.100 -0.029 0.000 1.010 4 T CB 2.053 70.901 68.868 -0.034 0.000 1.022 4 T HN 0.291 nan 8.240 nan 0.000 0.466 5 V N 3.545 123.439 119.914 -0.035 0.000 2.487 5 V HA 0.454 4.576 4.120 0.004 0.000 0.298 5 V C -0.477 175.596 176.094 -0.034 0.000 1.028 5 V CA -0.857 61.427 62.300 -0.025 0.000 0.860 5 V CB 1.579 33.386 31.823 -0.026 0.000 0.991 5 V HN 0.702 nan 8.190 nan 0.000 0.427 6 L N 5.745 126.958 121.223 -0.018 0.000 2.307 6 L HA 0.603 4.946 4.340 0.004 0.000 0.282 6 L C -0.088 176.819 176.870 0.063 0.000 1.051 6 L CA -0.411 54.415 54.840 -0.024 0.000 0.804 6 L CB 1.299 43.331 42.059 -0.044 0.000 1.197 6 L HN 0.701 nan 8.230 nan 0.000 0.431 7 Q N 2.022 121.867 119.800 0.075 0.000 2.309 7 Q HA 0.560 4.902 4.340 0.004 0.000 0.270 7 Q C 0.265 176.332 176.000 0.111 0.000 1.023 7 Q CA -0.527 55.426 55.803 0.251 0.000 0.758 7 Q CB 2.136 31.011 28.738 0.227 0.000 1.247 7 Q HN 0.868 nan 8.270 nan 0.000 0.455 8 G N 1.824 110.591 108.800 -0.055 0.000 2.134 8 G HA2 -0.179 3.784 3.960 0.004 0.000 0.209 8 G HA3 -0.179 3.784 3.960 0.004 0.000 0.209 8 G C 0.260 175.055 174.900 -0.176 0.000 0.993 8 G CA -0.470 44.557 45.100 -0.121 0.000 0.669 8 G HN 0.949 nan 8.290 nan 0.000 0.519 9 G N -0.430 108.274 108.800 -0.160 0.000 2.539 9 G HA2 0.472 4.435 3.960 0.004 0.000 0.258 9 G HA3 0.472 4.435 3.960 0.004 0.000 0.258 9 G C 0.114 174.939 174.900 -0.126 0.000 1.202 9 G CA -0.333 44.693 45.100 -0.123 0.000 0.851 9 G HN 0.419 nan 8.290 nan 0.000 0.556 10 N N 0.491 119.121 118.700 -0.116 0.000 3.188 10 N HA 0.232 4.975 4.740 0.004 0.000 0.279 10 N C -0.229 175.231 175.510 -0.084 0.000 1.213 10 N CA -0.509 52.481 53.050 -0.099 0.000 1.138 10 N CB 1.383 39.809 38.487 -0.102 0.000 1.417 10 N HN 0.201 nan 8.380 nan 0.000 0.526 11 V N 1.885 121.749 119.914 -0.084 0.000 2.486 11 V HA -0.116 4.007 4.120 0.004 0.000 0.290 11 V C 0.778 176.806 176.094 -0.110 0.000 0.991 11 V CA 0.260 62.503 62.300 -0.096 0.000 1.142 11 V CB 0.077 31.843 31.823 -0.095 0.000 0.926 11 V HN 0.622 nan 8.190 nan 0.000 0.472 12 L N 5.561 126.735 121.223 -0.081 0.000 2.401 12 L HA 0.234 4.577 4.340 0.004 0.000 0.283 12 L C 0.678 177.516 176.870 -0.054 0.000 1.151 12 L CA -0.049 54.753 54.840 -0.063 0.000 0.942 12 L CB 0.174 42.206 42.059 -0.046 0.000 1.283 12 L HN 0.665 nan 8.230 nan 0.000 0.442 13 D N 4.058 124.418 120.400 -0.066 0.000 2.338 13 D HA 0.033 4.676 4.640 0.004 0.000 0.255 13 D C 0.844 177.131 176.300 -0.021 0.000 1.237 13 D CA 0.015 53.987 54.000 -0.048 0.000 0.883 13 D CB 1.392 42.153 40.800 -0.065 0.000 1.087 13 D HN 0.521 nan 8.370 nan 0.000 0.485 14 L N 3.677 124.898 121.223 -0.003 0.000 2.249 14 L HA -0.073 4.270 4.340 0.004 0.000 0.207 14 L C 2.499 179.382 176.870 0.022 0.000 1.090 14 L CA 0.372 55.223 54.840 0.018 0.000 0.802 14 L CB -0.006 42.075 42.059 0.036 0.000 0.947 14 L HN 0.481 nan 8.230 nan 0.000 0.453 15 E N 0.404 120.615 120.200 0.017 0.000 2.208 15 E HA -0.215 4.138 4.350 0.004 0.000 0.193 15 E C 1.861 178.469 176.600 0.013 0.000 0.988 15 E CA 0.999 57.411 56.400 0.019 0.000 0.828 15 E CB -0.114 29.597 29.700 0.018 0.000 0.763 15 E HN 0.453 nan 8.360 nan 0.000 0.478 16 R N -0.156 120.347 120.500 0.004 0.000 2.254 16 R HA 0.139 4.482 4.340 0.004 0.000 0.195 16 R C 1.265 177.566 176.300 0.002 0.000 0.957 16 R CA 0.600 56.700 56.100 0.000 0.000 1.024 16 R CB 0.344 30.639 30.300 -0.010 0.000 0.952 16 R HN 0.391 nan 8.270 nan 0.000 0.484 17 G N 0.841 109.644 108.800 0.004 0.000 2.157 17 G HA2 -0.263 3.700 3.960 0.004 0.000 0.248 17 G HA3 -0.263 3.700 3.960 0.004 0.000 0.248 17 G C 0.129 175.030 174.900 0.001 0.000 0.979 17 G CA 0.259 45.364 45.100 0.008 0.000 0.650 17 G HN 0.271 nan 8.290 nan 0.000 0.529 18 V N -2.226 117.682 119.914 -0.011 0.000 3.046 18 V HA 0.860 4.983 4.120 0.004 0.000 0.316 18 V C 0.718 176.791 176.094 -0.036 0.000 1.104 18 V CA -1.694 60.595 62.300 -0.019 0.000 1.006 18 V CB 2.105 33.917 31.823 -0.019 0.000 1.058 18 V HN 0.265 nan 8.190 nan 0.000 0.440 19 L N 2.243 123.445 121.223 -0.035 0.000 2.371 19 L HA 0.465 4.808 4.340 0.004 0.000 0.272 19 L C -0.536 176.292 176.870 -0.071 0.000 1.124 19 L CA -0.377 54.432 54.840 -0.052 0.000 0.816 19 L CB 1.310 43.346 42.059 -0.040 0.000 1.129 19 L HN 0.568 nan 8.230 nan 0.000 0.448 20 L N 4.543 125.692 121.223 -0.124 0.000 2.356 20 L HA 0.225 4.568 4.340 0.004 0.000 0.264 20 L C 0.187 177.058 176.870 0.002 0.000 1.029 20 L CA -0.630 54.092 54.840 -0.196 0.000 0.897 20 L CB 0.836 42.523 42.059 -0.620 0.000 1.256 20 L HN 0.592 nan 8.230 nan 0.000 0.444 21 E N 2.981 123.239 120.200 0.096 0.000 2.398 21 E HA -0.005 4.348 4.350 0.004 0.000 0.263 21 E C 0.095 176.787 176.600 0.153 0.000 1.046 21 E CA -0.320 56.099 56.400 0.031 0.000 0.908 21 E CB 0.299 29.987 29.700 -0.020 0.000 0.963 21 E HN 0.538 nan 8.360 nan 0.000 0.431 22 H N -0.349 118.709 119.070 -0.020 0.000 2.921 22 H HA -0.166 4.393 4.556 0.004 0.000 0.281 22 H C -0.696 174.372 175.328 -0.433 0.000 1.165 22 H CA 1.175 57.105 56.048 -0.197 0.000 1.151 22 H CB -2.152 27.519 29.762 -0.152 0.000 1.311 22 H HN 0.564 nan 8.280 nan 0.000 0.361 23 H N 1.030 119.953 119.070 -0.246 0.000 2.562 23 H HA 0.244 4.803 4.556 0.004 0.000 0.314 23 H C 0.825 175.985 175.328 -0.280 0.000 1.079 23 H CA -0.173 55.741 56.048 -0.224 0.000 1.349 23 H CB 0.597 30.307 29.762 -0.086 0.000 1.432 23 H HN 0.261 nan 8.280 nan 0.000 0.479 24 H N 2.143 121.253 119.070 0.067 0.000 2.481 24 H HA 0.287 4.845 4.556 0.004 0.000 0.339 24 H C -0.348 174.997 175.328 0.029 0.000 1.131 24 H CA -0.631 55.433 56.048 0.027 0.000 1.301 24 H CB 1.368 31.130 29.762 0.000 0.000 1.476 24 H HN 0.275 nan 8.280 nan 0.000 0.529 25 V N 3.660 123.641 119.914 0.112 0.000 2.357 25 V HA 0.127 4.249 4.120 0.004 0.000 0.284 25 V C 0.217 176.333 176.094 0.037 0.000 1.018 25 V CA -0.788 61.545 62.300 0.055 0.000 0.841 25 V CB 1.463 33.294 31.823 0.013 0.000 0.991 25 V HN 0.437 nan 8.190 nan 0.000 0.437 26 V N 6.168 126.101 119.914 0.031 0.000 2.407 26 V HA 0.491 4.613 4.120 0.004 0.000 0.278 26 V C -0.126 175.970 176.094 0.003 0.000 1.037 26 V CA -0.398 61.910 62.300 0.013 0.000 0.900 26 V CB 1.502 33.332 31.823 0.012 0.000 0.983 26 V HN 0.588 nan 8.190 nan 0.000 0.459 27 I N 3.723 124.290 120.570 -0.005 0.000 2.436 27 I HA 0.504 4.677 4.170 0.004 0.000 0.289 27 I C -0.724 175.388 176.117 -0.008 0.000 1.010 27 I CA -0.506 60.789 61.300 -0.008 0.000 1.098 27 I CB 1.691 39.682 38.000 -0.014 0.000 1.266 27 I HN 0.638 nan 8.210 nan 0.000 0.434 28 D N 3.823 124.220 120.400 -0.005 0.000 2.593 28 D HA 0.596 5.239 4.640 0.004 0.000 0.251 28 D C 0.687 176.985 176.300 -0.003 0.000 1.140 28 D CA 0.692 54.690 54.000 -0.005 0.000 0.855 28 D CB 1.686 42.483 40.800 -0.003 0.000 1.267 28 D HN 0.847 nan 8.370 nan 0.000 0.532 29 G N 4.246 113.043 108.800 -0.005 0.000 2.889 29 G HA2 -0.331 3.631 3.960 0.004 0.000 0.308 29 G HA3 -0.331 3.631 3.960 0.004 0.000 0.308 29 G C 0.660 175.558 174.900 -0.004 0.000 1.248 29 G CA 0.555 45.653 45.100 -0.004 0.000 0.982 29 G HN 0.560 nan 8.290 nan 0.000 0.571 30 E N 0.656 120.855 120.200 -0.001 0.000 2.676 30 E HA 0.330 4.683 4.350 0.004 0.000 0.222 30 E C 0.845 177.446 176.600 0.002 0.000 0.968 30 E CA -0.169 56.231 56.400 -0.001 0.000 1.090 30 E CB 1.000 30.701 29.700 0.001 0.000 1.066 30 E HN 0.429 nan 8.360 nan 0.000 0.496 31 R N 0.427 120.928 120.500 0.002 0.000 2.867 31 R HA 0.529 4.871 4.340 0.004 0.000 0.268 31 R C -0.742 175.559 176.300 0.003 0.000 1.014 31 R CA -0.893 55.210 56.100 0.005 0.000 0.946 31 R CB 1.941 32.246 30.300 0.009 0.000 1.208 31 R HN -0.069 nan 8.270 nan 0.000 0.477 32 I N 1.987 122.559 120.570 0.004 0.000 2.352 32 I HA 0.048 4.220 4.170 0.004 0.000 0.290 32 I C 1.086 177.208 176.117 0.008 0.000 1.036 32 I CA -0.185 61.118 61.300 0.004 0.000 1.336 32 I CB 1.354 39.356 38.000 0.003 0.000 1.407 32 I HN 0.429 nan 8.210 nan 0.000 0.497 33 V N 3.863 123.782 119.914 0.009 0.000 2.492 33 V HA 0.095 4.218 4.120 0.004 0.000 0.241 33 V C 0.627 176.730 176.094 0.016 0.000 1.041 33 V CA 0.742 63.048 62.300 0.010 0.000 1.057 33 V CB -0.313 31.514 31.823 0.007 0.000 0.711 33 V HN 0.804 nan 8.190 nan 0.000 0.468 34 E N -0.136 120.077 120.200 0.022 0.000 2.291 34 E HA 0.471 4.824 4.350 0.004 0.000 0.276 34 E C -1.857 174.774 176.600 0.052 0.000 0.896 34 E CA -0.355 56.065 56.400 0.033 0.000 0.774 34 E CB 2.567 32.284 29.700 0.029 0.000 1.227 34 E HN 0.054 nan 8.360 nan 0.000 0.413 35 V N 3.862 123.814 119.914 0.064 0.000 2.257 35 V HA 0.344 4.466 4.120 0.004 0.000 0.269 35 V C 0.049 176.235 176.094 0.153 0.000 1.040 35 V CA -0.425 61.933 62.300 0.097 0.000 0.813 35 V CB 0.854 32.716 31.823 0.065 0.000 1.065 35 V HN 0.643 nan 8.190 nan 0.000 0.457 36 T N 1.551 116.202 114.554 0.162 0.000 2.908 36 T HA 0.446 4.798 4.350 0.004 0.000 0.290 36 T C 0.268 175.024 174.700 0.094 0.000 1.034 36 T CA -0.478 61.707 62.100 0.141 0.000 1.010 36 T CB 1.768 70.686 68.868 0.085 0.000 1.068 36 T HN 0.751 nan 8.240 nan 0.000 0.481 37 D N 1.425 121.761 120.400 -0.107 0.000 2.402 37 D HA 0.151 4.794 4.640 0.004 0.000 0.216 37 D C 0.588 176.883 176.300 -0.008 0.000 1.128 37 D CA -0.357 53.480 54.000 -0.272 0.000 0.833 37 D CB 0.164 40.489 40.800 -0.792 0.000 0.971 37 D HN 0.100 nan 8.370 nan 0.000 0.503 38 R N 1.625 122.149 120.500 0.039 0.000 2.679 38 R HA 0.281 4.624 4.340 0.004 0.000 0.269 38 R C -2.214 174.068 176.300 -0.030 0.000 1.076 38 R CA -1.667 54.437 56.100 0.006 0.000 1.160 38 R CB -0.328 29.966 30.300 -0.010 0.000 1.054 38 R HN 0.079 nan 8.270 nan 0.000 0.507 39 P HA -0.095 nan 4.420 nan 0.000 0.260 39 P C 0.084 177.262 177.300 -0.204 0.000 1.185 39 P CA 0.168 63.191 63.100 -0.129 0.000 0.763 39 P CB 0.290 31.946 31.700 -0.074 0.000 0.776 40 V N 3.678 123.373 119.914 -0.364 0.000 2.458 40 V HA -0.056 4.066 4.120 0.004 0.000 0.287 40 V C 0.383 176.377 176.094 -0.167 0.000 1.009 40 V CA 0.210 62.310 62.300 -0.333 0.000 1.091 40 V CB -0.310 31.247 31.823 -0.444 0.000 0.960 40 V HN 0.404 nan 8.190 nan 0.000 0.476 41 D N 6.393 126.723 120.400 -0.116 0.000 2.522 41 D HA 0.261 4.904 4.640 0.004 0.000 0.218 41 D C -0.179 176.084 176.300 -0.061 0.000 1.149 41 D CA -0.189 53.766 54.000 -0.074 0.000 0.981 41 D CB 0.005 40.773 40.800 -0.054 0.000 1.041 41 D HN 0.673 nan 8.370 nan 0.000 0.518 42 L N 1.729 122.915 121.223 -0.062 0.000 2.287 42 L HA 0.736 5.079 4.340 0.004 0.000 0.287 42 L C -2.004 174.844 176.870 -0.037 0.000 1.022 42 L CA -1.140 53.672 54.840 -0.048 0.000 0.814 42 L CB 1.663 43.691 42.059 -0.052 0.000 1.217 42 L HN -0.007 nan 8.230 nan 0.000 0.420 43 P HA 0.176 nan 4.420 nan 0.000 0.200 43 P C 0.548 177.835 177.300 -0.020 0.000 1.109 43 P CA 0.374 63.460 63.100 -0.023 0.000 0.908 43 P CB 0.431 32.119 31.700 -0.020 0.000 0.746 44 N N -0.614 118.074 118.700 -0.019 0.000 2.280 44 N HA 0.260 5.002 4.740 0.004 0.000 0.192 44 N C -0.008 175.491 175.510 -0.018 0.000 1.109 44 N CA -0.270 52.771 53.050 -0.016 0.000 0.855 44 N CB 0.127 38.606 38.487 -0.013 0.000 0.974 44 N HN 0.119 nan 8.380 nan 0.000 0.482 45 A N 0.897 123.705 122.820 -0.021 0.000 2.388 45 A HA 0.115 4.437 4.320 0.004 0.000 0.257 45 A C 0.013 177.582 177.584 -0.025 0.000 1.095 45 A CA -0.106 51.917 52.037 -0.023 0.000 0.791 45 A CB 0.540 19.524 19.000 -0.027 0.000 1.029 45 A HN 0.388 nan 8.150 nan 0.000 0.489 46 Q N 1.157 120.941 119.800 -0.026 0.000 2.296 46 Q HA 0.524 4.866 4.340 0.004 0.000 0.257 46 Q C -0.249 175.728 176.000 -0.038 0.000 0.942 46 Q CA -0.385 55.401 55.803 -0.029 0.000 0.939 46 Q CB 0.948 29.671 28.738 -0.026 0.000 1.198 46 Q HN 0.872 nan 8.270 nan 0.000 0.429 47 A N 4.932 127.729 122.820 -0.040 0.000 2.306 47 A HA 0.646 4.969 4.320 0.004 0.000 0.314 47 A C -0.755 176.788 177.584 -0.069 0.000 1.164 47 A CA -0.560 51.448 52.037 -0.048 0.000 0.822 47 A CB 0.633 19.611 19.000 -0.037 0.000 1.130 47 A HN 0.829 nan 8.150 nan 0.000 0.496 48 I N 1.456 121.964 120.570 -0.104 0.000 2.466 48 I HA 0.200 4.372 4.170 0.004 0.000 0.289 48 I C -0.915 175.110 176.117 -0.154 0.000 1.026 48 I CA -0.600 60.596 61.300 -0.173 0.000 1.078 48 I CB 2.097 39.902 38.000 -0.324 0.000 1.249 48 I HN 0.590 nan 8.210 nan 0.000 0.429 49 D N 6.077 126.410 120.400 -0.112 0.000 2.338 49 D HA 0.195 4.837 4.640 0.004 0.000 0.255 49 D C 0.006 176.270 176.300 -0.059 0.000 1.237 49 D CA 0.228 54.197 54.000 -0.053 0.000 0.883 49 D CB 1.071 41.864 40.800 -0.012 0.000 1.087 49 D HN 0.189 nan 8.370 nan 0.000 0.485 50 V N 5.305 125.190 119.914 -0.048 0.000 2.854 50 V HA 0.126 4.249 4.120 0.004 0.000 0.366 50 V C 0.631 176.705 176.094 -0.034 0.000 1.322 50 V CA -0.772 61.501 62.300 -0.044 0.000 1.243 50 V CB -0.618 31.161 31.823 -0.073 0.000 1.337 50 V HN 0.466 nan 8.190 nan 0.000 0.585 51 R N 1.689 122.182 120.500 -0.011 0.000 2.347 51 R HA 0.408 4.751 4.340 0.004 0.000 0.304 51 R C 0.711 176.989 176.300 -0.037 0.000 1.072 51 R CA 0.899 56.989 56.100 -0.017 0.000 0.980 51 R CB 0.358 30.682 30.300 0.041 0.000 0.986 51 R HN 0.764 nan 8.270 nan 0.000 0.448 52 G N 2.506 111.246 108.800 -0.100 0.000 2.198 52 G HA2 -0.302 3.661 3.960 0.004 0.000 0.257 52 G HA3 -0.302 3.661 3.960 0.004 0.000 0.257 52 G C -0.559 174.302 174.900 -0.064 0.000 1.042 52 G CA 0.587 45.633 45.100 -0.090 0.000 0.791 52 G HN 0.664 nan 8.290 nan 0.000 0.502 53 K N -0.145 120.213 120.400 -0.071 0.000 2.468 53 K HA 0.499 4.822 4.320 0.004 0.000 0.252 53 K C -0.164 176.398 176.600 -0.063 0.000 0.932 53 K CA -0.667 55.591 56.287 -0.048 0.000 0.794 53 K CB 1.568 34.060 32.500 -0.013 0.000 1.241 53 K HN 0.048 nan 8.250 nan 0.000 0.428 54 T N 2.272 116.791 114.554 -0.058 0.000 2.751 54 T HA 0.112 4.465 4.350 0.004 0.000 0.290 54 T C -0.028 174.629 174.700 -0.071 0.000 0.919 54 T CA -0.353 61.707 62.100 -0.066 0.000 1.136 54 T CB 0.063 68.896 68.868 -0.060 0.000 0.875 54 T HN 0.134 nan 8.240 nan 0.000 0.532 55 V N 6.725 126.593 119.914 -0.076 0.000 2.465 55 V HA 0.580 4.703 4.120 0.004 0.000 0.279 55 V C 0.295 176.333 176.094 -0.094 0.000 1.045 55 V CA -0.564 61.687 62.300 -0.082 0.000 0.938 55 V CB 0.753 32.535 31.823 -0.069 0.000 0.986 55 V HN 0.928 nan 8.190 nan 0.000 0.467 56 M N 5.191 124.715 119.600 -0.127 0.000 2.664 56 M HA 0.789 5.272 4.480 0.004 0.000 0.279 56 M C -3.121 173.080 176.300 -0.165 0.000 1.275 56 M CA -2.228 52.990 55.300 -0.137 0.000 0.829 56 M CB 2.624 35.131 32.600 -0.154 0.000 1.727 56 M HN 0.226 nan 8.290 nan 0.000 0.459 57 P HA 0.279 nan 4.420 nan 0.000 0.278 57 P C -0.134 177.021 177.300 -0.240 0.000 1.238 57 P CA 0.041 63.065 63.100 -0.128 0.000 0.794 57 P CB 0.554 32.224 31.700 -0.051 0.000 0.955 58 G N 2.519 111.191 108.800 -0.214 0.000 2.380 58 G HA2 0.169 4.132 3.960 0.004 0.000 0.242 58 G HA3 0.169 4.132 3.960 0.004 0.000 0.242 58 G C -0.420 174.376 174.900 -0.173 0.000 1.298 58 G CA -0.209 44.720 45.100 -0.286 0.000 0.878 58 G HN 0.216 nan 8.290 nan 0.000 0.542 59 F N 0.556 120.413 119.950 -0.155 0.000 2.545 59 F HA 0.306 4.836 4.527 0.005 0.000 0.348 59 F C 1.028 176.868 175.800 0.066 0.000 1.163 59 F CA -0.291 57.590 58.000 -0.199 0.000 1.331 59 F CB 0.555 39.084 39.000 -0.785 0.000 1.138 59 F HN 0.180 nan 8.300 nan 0.000 0.602 60 I N 2.115 122.917 120.570 0.386 0.000 2.447 60 I HA 0.203 4.375 4.170 0.004 0.000 0.287 60 I C -0.855 175.540 176.117 0.462 0.000 1.023 60 I CA -0.713 60.826 61.300 0.399 0.000 1.083 60 I CB 1.732 39.888 38.000 0.259 0.000 1.245 60 I HN 0.348 nan 8.210 nan 0.000 0.434 61 D N 5.074 125.755 120.400 0.468 0.000 2.373 61 D HA 0.263 4.906 4.640 0.004 0.000 0.227 61 D C 0.276 176.713 176.300 0.229 0.000 1.091 61 D CA -0.347 53.879 54.000 0.378 0.000 0.840 61 D CB 1.643 42.454 40.800 0.019 0.000 1.060 61 D HN 0.552 nan 8.370 nan 0.000 0.502 62 C N 2.402 121.830 119.300 0.214 0.000 2.626 62 C HA 0.085 4.548 4.460 0.004 0.000 0.266 62 C C 0.848 175.902 174.990 0.106 0.000 1.317 62 C CA 0.014 59.111 59.018 0.132 0.000 1.716 62 C CB -1.518 26.277 27.740 0.092 0.000 1.819 62 C HN 0.583 nan 8.230 nan 0.000 0.578 63 H N -0.076 118.961 119.070 -0.054 0.000 2.596 63 H HA 0.464 5.022 4.556 0.004 0.000 0.240 63 H C -0.561 174.645 175.328 -0.204 0.000 1.406 63 H CA -0.140 55.819 56.048 -0.148 0.000 1.504 63 H CB 0.308 29.944 29.762 -0.210 0.000 1.688 63 H HN 0.121 nan 8.280 nan 0.000 0.546 64 V N 0.259 120.002 119.914 -0.285 0.000 3.019 64 V HA 0.538 4.660 4.120 0.004 0.000 0.317 64 V C -0.258 175.630 176.094 -0.342 0.000 1.094 64 V CA -0.807 61.363 62.300 -0.217 0.000 1.000 64 V CB 2.312 34.092 31.823 -0.071 0.000 1.060 64 V HN 0.625 nan 8.190 nan 0.000 0.443 65 H N 1.748 120.842 119.070 0.041 0.000 2.348 65 H HA 0.417 4.975 4.556 0.004 0.000 0.232 65 H C 0.956 176.342 175.328 0.096 0.000 1.419 65 H CA -0.470 55.606 56.048 0.047 0.000 1.416 65 H CB 1.221 31.012 29.762 0.048 0.000 1.510 65 H HN 0.527 nan 8.280 nan 0.000 0.507 66 V N 1.303 121.290 119.914 0.122 0.000 2.363 66 V HA -0.296 3.827 4.120 0.004 0.000 0.254 66 V C 2.242 178.338 176.094 0.003 0.000 1.074 66 V CA 1.806 64.111 62.300 0.009 0.000 1.069 66 V CB -0.244 31.568 31.823 -0.018 0.000 0.659 66 V HN 0.540 nan 8.190 nan 0.000 0.455 67 L N -0.241 121.011 121.223 0.049 0.000 2.591 67 L HA 0.242 4.585 4.340 0.004 0.000 0.228 67 L C 1.336 178.225 176.870 0.031 0.000 1.133 67 L CA 0.070 54.923 54.840 0.023 0.000 0.880 67 L CB -0.248 41.821 42.059 0.016 0.000 1.033 67 L HN 0.296 nan 8.230 nan 0.000 0.450 68 A N -0.008 122.870 122.820 0.095 0.000 2.666 68 A HA 0.195 4.517 4.320 0.004 0.000 0.301 68 A C 1.436 179.093 177.584 0.122 0.000 1.470 68 A CA 0.382 52.474 52.037 0.093 0.000 1.159 68 A CB 0.056 19.138 19.000 0.138 0.000 1.116 68 A HN 0.385 nan 8.150 nan 0.000 0.548 69 S N 2.281 118.001 115.700 0.034 0.000 2.406 69 S HA -0.024 4.448 4.470 0.004 0.000 0.224 69 S C 0.602 175.202 174.600 0.001 0.000 1.030 69 S CA 0.583 58.791 58.200 0.013 0.000 0.958 69 S CB -0.413 62.777 63.200 -0.016 0.000 0.811 69 S HN 0.945 nan 8.310 nan 0.000 0.489 70 N N -1.116 117.574 118.700 -0.016 0.000 2.321 70 N HA 0.697 5.440 4.740 0.004 0.000 0.290 70 N C 0.565 176.057 175.510 -0.030 0.000 1.212 70 N CA -0.321 52.712 53.050 -0.028 0.000 0.767 70 N CB 1.375 39.844 38.487 -0.030 0.000 1.494 70 N HN 0.020 nan 8.380 nan 0.000 0.479 71 A N 1.143 123.959 122.820 -0.006 0.000 1.933 71 A HA -0.157 4.166 4.320 0.004 0.000 0.218 71 A C 1.003 178.568 177.584 -0.032 0.000 1.175 71 A CA 1.317 53.362 52.037 0.013 0.000 0.628 71 A CB -1.002 18.058 19.000 0.100 0.000 0.814 71 A HN 0.808 nan 8.150 nan 0.000 0.444 72 N N 0.692 119.365 118.700 -0.045 0.000 2.400 72 N HA 0.230 4.973 4.740 0.004 0.000 0.267 72 N C 0.517 175.901 175.510 -0.210 0.000 1.208 72 N CA 0.082 53.068 53.050 -0.106 0.000 0.951 72 N CB 0.088 38.534 38.487 -0.068 0.000 1.227 72 N HN 0.330 nan 8.380 nan 0.000 0.488 73 L N 2.350 123.353 121.223 -0.367 0.000 2.217 73 L HA 0.035 4.377 4.340 0.004 0.000 0.211 73 L C 2.188 178.604 176.870 -0.757 0.000 1.107 73 L CA 0.871 55.355 54.840 -0.593 0.000 0.783 73 L CB -0.386 41.169 42.059 -0.841 0.000 0.919 73 L HN 0.664 nan 8.230 nan 0.000 0.442 74 G N -0.552 107.836 108.800 -0.686 0.000 2.421 74 G HA2 -0.235 3.728 3.960 0.004 0.000 0.216 74 G HA3 -0.235 3.728 3.960 0.004 0.000 0.216 74 G C 1.553 176.350 174.900 -0.172 0.000 1.171 74 G CA 0.910 45.786 45.100 -0.374 0.000 0.775 74 G HN 0.216 nan 8.290 nan 0.000 0.543 75 V N 0.692 120.518 119.914 -0.146 0.000 3.235 75 V HA 0.037 4.160 4.120 0.004 0.000 0.259 75 V C 2.281 178.328 176.094 -0.079 0.000 1.133 75 V CA 1.493 63.745 62.300 -0.080 0.000 1.128 75 V CB -0.125 31.667 31.823 -0.052 0.000 0.757 75 V HN 0.429 nan 8.190 nan 0.000 0.469 76 N N 0.417 119.044 118.700 -0.122 0.000 2.331 76 N HA -0.026 4.717 4.740 0.004 0.000 0.180 76 N C 1.685 177.154 175.510 -0.068 0.000 1.019 76 N CA 1.374 54.366 53.050 -0.096 0.000 0.881 76 N CB -0.082 38.329 38.487 -0.126 0.000 0.972 76 N HN 0.473 nan 8.380 nan 0.000 0.435 77 A N -0.704 122.074 122.820 -0.070 0.000 1.930 77 A HA -0.053 4.269 4.320 0.004 0.000 0.215 77 A C 2.167 179.754 177.584 0.004 0.000 1.176 77 A CA 1.731 53.763 52.037 -0.008 0.000 0.632 77 A CB -1.114 17.914 19.000 0.047 0.000 0.819 77 A HN 0.498 nan 8.150 nan 0.000 0.445 78 T N -0.482 114.069 114.554 -0.005 0.000 3.085 78 T HA 0.014 4.366 4.350 0.004 0.000 0.263 78 T C 0.949 175.652 174.700 0.004 0.000 1.127 78 T CA 0.427 62.531 62.100 0.006 0.000 1.103 78 T CB -0.645 68.225 68.868 0.003 0.000 0.921 78 T HN 0.715 nan 8.240 nan 0.000 0.510 79 Q N 1.646 121.443 119.800 -0.004 0.000 2.392 79 Q HA 0.326 4.669 4.340 0.004 0.000 0.262 79 Q C -2.678 173.326 176.000 0.006 0.000 1.003 79 Q CA -2.039 53.762 55.803 -0.002 0.000 0.888 79 Q CB -0.340 28.392 28.738 -0.010 0.000 1.260 79 Q HN 0.118 nan 8.270 nan 0.000 0.435 80 P HA -0.043 nan 4.420 nan 0.000 0.268 80 P C 0.002 177.309 177.300 0.013 0.000 1.208 80 P CA -0.181 62.926 63.100 0.012 0.000 0.777 80 P CB 0.513 32.217 31.700 0.007 0.000 0.875 81 N N 1.691 120.402 118.700 0.019 0.000 2.036 81 N HA -0.175 4.567 4.740 0.004 0.000 0.195 81 N C 1.527 177.044 175.510 0.012 0.000 1.037 81 N CA 1.182 54.246 53.050 0.022 0.000 0.855 81 N CB -0.917 37.587 38.487 0.027 0.000 1.033 81 N HN 0.442 nan 8.380 nan 0.000 0.423 82 I N 0.821 121.395 120.570 0.007 0.000 2.252 82 I HA -0.132 4.040 4.170 0.004 0.000 0.245 82 I C 1.817 177.931 176.117 -0.004 0.000 1.102 82 I CA 1.025 62.326 61.300 0.001 0.000 1.385 82 I CB -0.586 37.414 38.000 -0.001 0.000 1.064 82 I HN 0.082 nan 8.210 nan 0.000 0.414 83 L N 1.297 122.518 121.223 -0.004 0.000 2.127 83 L HA -0.181 4.161 4.340 0.004 0.000 0.211 83 L C 2.872 179.736 176.870 -0.011 0.000 1.089 83 L CA 1.400 56.235 54.840 -0.008 0.000 0.757 83 L CB -0.610 41.444 42.059 -0.007 0.000 0.899 83 L HN 0.333 nan 8.230 nan 0.000 0.434 84 A N -0.445 122.371 122.820 -0.007 0.000 1.930 84 A HA -0.125 4.198 4.320 0.004 0.000 0.217 84 A C 2.455 180.032 177.584 -0.012 0.000 1.175 84 A CA 1.575 53.607 52.037 -0.009 0.000 0.627 84 A CB -0.570 18.428 19.000 -0.002 0.000 0.815 84 A HN 0.414 nan 8.150 nan 0.000 0.443 85 A N -0.233 122.581 122.820 -0.009 0.000 1.929 85 A HA 0.059 4.382 4.320 0.004 0.000 0.216 85 A C 1.917 179.487 177.584 -0.023 0.000 1.176 85 A CA 1.365 53.394 52.037 -0.014 0.000 0.628 85 A CB -0.374 18.621 19.000 -0.007 0.000 0.816 85 A HN 0.376 nan 8.150 nan 0.000 0.444 86 I N -0.034 120.522 120.570 -0.022 0.000 2.315 86 I HA -0.143 4.030 4.170 0.004 0.000 0.248 86 I C 2.377 178.473 176.117 -0.035 0.000 1.117 86 I CA 1.205 62.489 61.300 -0.027 0.000 1.404 86 I CB -1.328 36.659 38.000 -0.022 0.000 1.071 86 I HN 0.328 nan 8.210 nan 0.000 0.419 87 R N 0.825 121.304 120.500 -0.034 0.000 2.189 87 R HA -0.091 4.252 4.340 0.004 0.000 0.223 87 R C 2.189 178.454 176.300 -0.059 0.000 1.092 87 R CA 1.428 57.503 56.100 -0.043 0.000 0.989 87 R CB -0.208 30.070 30.300 -0.036 0.000 0.876 87 R HN 0.483 nan 8.270 nan 0.000 0.457 88 S N -0.029 115.637 115.700 -0.058 0.000 2.603 88 S HA 0.055 4.528 4.470 0.004 0.000 0.220 88 S C 1.777 176.325 174.600 -0.085 0.000 0.967 88 S CA 0.251 58.405 58.200 -0.078 0.000 0.920 88 S CB -0.085 63.080 63.200 -0.058 0.000 0.773 88 S HN 0.212 nan 8.310 nan 0.000 0.529 89 L N 0.392 121.574 121.223 -0.069 0.000 2.249 89 L HA 0.180 4.523 4.340 0.004 0.000 0.207 89 L C -0.778 176.051 176.870 -0.068 0.000 1.090 89 L CA 0.217 55.018 54.840 -0.064 0.000 0.802 89 L CB -1.788 40.240 42.059 -0.051 0.000 0.947 89 L HN 0.190 nan 8.230 nan 0.000 0.453 90 P HA -0.136 nan 4.420 nan 0.000 0.217 90 P C 1.814 179.054 177.300 -0.100 0.000 1.150 90 P CA 1.454 64.509 63.100 -0.075 0.000 0.832 90 P CB 0.095 31.751 31.700 -0.073 0.000 0.787 91 I N -1.683 118.799 120.570 -0.146 0.000 2.202 91 I HA -0.192 3.981 4.170 0.004 0.000 0.242 91 I C 2.320 178.332 176.117 -0.174 0.000 1.091 91 I CA 1.213 62.372 61.300 -0.235 0.000 1.368 91 I CB -0.791 36.966 38.000 -0.404 0.000 1.058 91 I HN -0.129 nan 8.210 nan 0.000 0.410 92 L N 0.546 121.692 121.223 -0.128 0.000 2.083 92 L HA -0.251 4.091 4.340 0.004 0.000 0.209 92 L C 2.160 179.003 176.870 -0.046 0.000 1.083 92 L CA 1.554 56.345 54.840 -0.081 0.000 0.752 92 L CB -0.529 41.488 42.059 -0.071 0.000 0.899 92 L HN 0.278 nan 8.230 nan 0.000 0.433 93 D N -0.349 120.022 120.400 -0.049 0.000 2.144 93 D HA -0.162 4.481 4.640 0.004 0.000 0.199 93 D C 2.104 178.397 176.300 -0.012 0.000 0.984 93 D CA 1.165 55.148 54.000 -0.029 0.000 0.834 93 D CB 0.177 40.956 40.800 -0.036 0.000 0.955 93 D HN 0.284 nan 8.370 nan 0.000 0.465 94 A N -0.470 122.335 122.820 -0.026 0.000 2.016 94 A HA -0.013 4.310 4.320 0.004 0.000 0.217 94 A C 2.122 179.738 177.584 0.052 0.000 1.162 94 A CA 0.675 52.710 52.037 -0.003 0.000 0.662 94 A CB -0.385 18.594 19.000 -0.035 0.000 0.812 94 A HN 0.247 nan 8.150 nan 0.000 0.450 95 M N -1.364 118.263 119.600 0.046 0.000 2.236 95 M HA -0.001 4.482 4.480 0.004 0.000 0.266 95 M C 2.005 178.455 176.300 0.250 0.000 1.070 95 M CA 0.919 56.296 55.300 0.127 0.000 1.137 95 M CB -0.190 32.425 32.600 0.024 0.000 1.378 95 M HN 0.425 nan 8.290 nan 0.000 0.426 96 L N 0.215 121.521 121.223 0.139 0.000 2.156 96 L HA -0.064 4.278 4.340 0.004 0.000 0.208 96 L C 2.505 179.434 176.870 0.098 0.000 1.095 96 L CA 1.746 56.657 54.840 0.119 0.000 0.770 96 L CB -0.497 41.594 42.059 0.053 0.000 0.914 96 L HN 0.306 nan 8.230 nan 0.000 0.439 97 S N -1.578 114.173 115.700 0.085 0.000 2.522 97 S HA -0.034 4.438 4.470 0.004 0.000 0.227 97 S C 1.813 176.471 174.600 0.097 0.000 0.986 97 S CA 0.139 58.374 58.200 0.058 0.000 0.929 97 S CB -0.386 62.831 63.200 0.028 0.000 0.769 97 S HN 0.500 nan 8.310 nan 0.000 0.529 98 R N 0.386 121.004 120.500 0.195 0.000 2.388 98 R HA 0.296 4.638 4.340 0.004 0.000 0.247 98 R C 1.309 177.749 176.300 0.234 0.000 0.931 98 R CA 0.394 56.654 56.100 0.267 0.000 1.082 98 R CB 0.014 30.579 30.300 0.442 0.000 1.135 98 R HN 0.577 nan 8.270 nan 0.000 0.525 99 G N 0.609 109.492 108.800 0.139 0.000 2.176 99 G HA2 -0.287 3.676 3.960 0.004 0.000 0.253 99 G HA3 -0.287 3.676 3.960 0.004 0.000 0.253 99 G C -0.042 174.820 174.900 -0.063 0.000 0.979 99 G CA -0.338 44.743 45.100 -0.032 0.000 0.641 99 G HN 0.235 nan 8.290 nan 0.000 0.530 100 F N 1.668 121.749 119.950 0.219 0.000 2.445 100 F HA 0.478 5.008 4.527 0.004 0.000 0.359 100 F C 1.784 177.638 175.800 0.090 0.000 1.101 100 F CA 0.604 58.722 58.000 0.196 0.000 1.177 100 F CB 1.554 40.664 39.000 0.182 0.000 1.110 100 F HN 0.101 nan 8.300 nan 0.000 0.522 101 T N -2.386 112.289 114.554 0.202 0.000 2.990 101 T HA 0.226 4.579 4.350 0.004 0.000 0.250 101 T C 0.483 175.250 174.700 0.112 0.000 1.041 101 T CA -0.079 62.084 62.100 0.106 0.000 1.010 101 T CB 0.168 69.056 68.868 0.033 0.000 1.003 101 T HN 0.329 nan 8.240 nan 0.000 0.499 102 S N 0.949 116.765 115.700 0.193 0.000 2.547 102 S HA 0.717 5.190 4.470 0.004 0.000 0.281 102 S C -0.863 173.888 174.600 0.253 0.000 1.118 102 S CA -0.709 57.607 58.200 0.194 0.000 0.947 102 S CB 2.046 65.431 63.200 0.309 0.000 1.053 102 S HN 0.589 nan 8.310 nan 0.000 0.482 103 V N 1.359 121.379 119.914 0.177 0.000 2.914 103 V HA 0.724 4.847 4.120 0.004 0.000 0.314 103 V C -0.599 175.648 176.094 0.254 0.000 1.084 103 V CA -1.176 61.231 62.300 0.178 0.000 0.963 103 V CB 1.877 33.738 31.823 0.062 0.000 1.025 103 V HN 0.841 nan 8.190 nan 0.000 0.432 104 R N 1.701 122.331 120.500 0.217 0.000 2.275 104 R HA 0.411 4.754 4.340 0.004 0.000 0.326 104 R C -0.900 175.434 176.300 0.057 0.000 0.973 104 R CA -0.386 55.837 56.100 0.205 0.000 0.854 104 R CB 0.896 31.298 30.300 0.169 0.000 1.156 104 R HN 1.031 nan 8.270 nan 0.000 0.487 105 D N 2.745 123.174 120.400 0.049 0.000 2.348 105 D HA 0.123 4.766 4.640 0.004 0.000 0.253 105 D C 0.635 176.908 176.300 -0.044 0.000 1.161 105 D CA 0.147 54.141 54.000 -0.010 0.000 0.876 105 D CB 1.451 42.270 40.800 0.031 0.000 1.160 105 D HN 0.605 nan 8.370 nan 0.000 0.459 106 A N 3.282 125.997 122.820 -0.174 0.000 2.251 106 A HA 0.515 4.837 4.320 0.004 0.000 0.209 106 A C 0.872 178.521 177.584 0.108 0.000 1.187 106 A CA 0.500 52.415 52.037 -0.203 0.000 0.823 106 A CB -0.169 18.329 19.000 -0.837 0.000 0.846 106 A HN 0.683 nan 8.150 nan 0.000 0.486 107 G N -3.715 105.202 108.800 0.194 0.000 2.341 107 G HA2 0.540 4.502 3.960 0.004 0.000 0.300 107 G HA3 0.540 4.502 3.960 0.004 0.000 0.300 107 G C 0.399 175.361 174.900 0.104 0.000 1.706 107 G CA 0.475 45.663 45.100 0.146 0.000 0.916 107 G HN 1.645 nan 8.290 nan 0.000 0.716 108 G N 0.279 109.111 108.800 0.053 0.000 3.211 108 G HA2 0.284 4.247 3.960 0.004 0.000 0.206 108 G HA3 0.284 4.247 3.960 0.004 0.000 0.206 108 G C 1.040 175.968 174.900 0.047 0.000 1.418 108 G CA 1.130 46.251 45.100 0.036 0.000 0.958 108 G HN 2.485 nan 8.290 nan 0.000 0.567 109 A N 1.780 124.633 122.820 0.055 0.000 2.401 109 A HA 0.580 4.902 4.320 0.004 0.000 0.259 109 A C 0.457 178.074 177.584 0.056 0.000 1.103 109 A CA 0.971 53.034 52.037 0.043 0.000 0.789 109 A CB 0.201 19.217 19.000 0.028 0.000 1.035 109 A HN 0.988 nan 8.150 nan 0.000 0.491 110 D N 0.780 121.219 120.400 0.065 0.000 2.595 110 D HA 0.114 4.756 4.640 0.004 0.000 0.268 110 D C 0.726 177.112 176.300 0.144 0.000 1.181 110 D CA -0.774 53.295 54.000 0.115 0.000 1.085 110 D CB -0.240 40.642 40.800 0.136 0.000 1.186 110 D HN 0.566 nan 8.370 nan 0.000 0.621 111 W N 0.170 121.469 121.300 -0.002 0.000 2.465 111 W HA -0.048 4.614 4.660 0.003 0.000 0.268 111 W C 1.632 178.143 176.519 -0.014 0.000 1.242 111 W CA 1.563 58.903 57.345 -0.008 0.000 1.248 111 W CB -0.019 29.440 29.460 -0.001 0.000 1.118 111 W HN 0.265 nan 8.180 nan 0.000 0.587 112 S N 0.684 116.441 115.700 0.095 0.000 2.387 112 S HA -0.137 4.336 4.470 0.004 0.000 0.226 112 S C 1.807 176.302 174.600 -0.175 0.000 1.026 112 S CA 1.174 59.324 58.200 -0.085 0.000 0.972 112 S CB -0.600 62.648 63.200 0.080 0.000 0.814 112 S HN 0.304 nan 8.310 nan 0.000 0.477 113 L N 0.936 122.095 121.223 -0.106 0.000 2.217 113 L HA 0.083 4.426 4.340 0.004 0.000 0.211 113 L C 2.522 179.286 176.870 -0.176 0.000 1.107 113 L CA 0.804 55.575 54.840 -0.115 0.000 0.783 113 L CB -0.295 41.725 42.059 -0.064 0.000 0.919 113 L HN 0.384 nan 8.230 nan 0.000 0.442 114 M N -1.094 118.368 119.600 -0.230 0.000 2.229 114 M HA -0.211 4.272 4.480 0.004 0.000 0.264 114 M C 2.185 178.253 176.300 -0.386 0.000 1.063 114 M CA 1.519 56.641 55.300 -0.297 0.000 1.114 114 M CB 0.024 32.447 32.600 -0.295 0.000 1.387 114 M HN 0.243 nan 8.290 nan 0.000 0.420 115 Q N -0.020 119.463 119.800 -0.528 0.000 2.083 115 Q HA -0.043 4.300 4.340 0.004 0.000 0.198 115 Q C 2.118 177.941 176.000 -0.295 0.000 0.969 115 Q CA 1.744 57.233 55.803 -0.523 0.000 0.838 115 Q CB -0.402 27.899 28.738 -0.729 0.000 0.900 115 Q HN 0.676 nan 8.270 nan 0.000 0.436 116 A N 0.698 123.380 122.820 -0.230 0.000 1.930 116 A HA -0.118 4.204 4.320 0.004 0.000 0.217 116 A C 2.223 179.729 177.584 -0.130 0.000 1.175 116 A CA 1.753 53.700 52.037 -0.150 0.000 0.627 116 A CB -0.651 18.279 19.000 -0.117 0.000 0.815 116 A HN 0.290 nan 8.150 nan 0.000 0.443 117 V N -2.790 117.038 119.914 -0.143 0.000 2.719 117 V HA -0.029 4.094 4.120 0.004 0.000 0.252 117 V C 1.491 177.513 176.094 -0.120 0.000 1.065 117 V CA 1.945 64.173 62.300 -0.120 0.000 1.086 117 V CB -0.644 31.106 31.823 -0.122 0.000 0.700 117 V HN 0.544 nan 8.190 nan 0.000 0.467 118 E N 1.004 121.115 120.200 -0.148 0.000 2.474 118 E HA 0.053 4.406 4.350 0.004 0.000 0.195 118 E C 1.633 178.171 176.600 -0.105 0.000 1.039 118 E CA 0.913 57.236 56.400 -0.128 0.000 0.881 118 E CB 0.330 29.939 29.700 -0.152 0.000 0.970 118 E HN 0.898 nan 8.360 nan 0.000 0.486 119 T N -3.956 110.534 114.554 -0.107 0.000 3.043 119 T HA 0.281 4.634 4.350 0.004 0.000 0.272 119 T C 1.356 176.016 174.700 -0.066 0.000 0.990 119 T CA 0.234 62.285 62.100 -0.082 0.000 0.897 119 T CB 0.877 69.692 68.868 -0.088 0.000 1.111 119 T HN 0.120 nan 8.240 nan 0.000 0.529 120 G N 1.441 110.200 108.800 -0.069 0.000 2.176 120 G HA2 -0.226 3.736 3.960 0.004 0.000 0.252 120 G HA3 -0.226 3.736 3.960 0.004 0.000 0.252 120 G C 0.431 175.301 174.900 -0.051 0.000 1.024 120 G CA 0.421 45.488 45.100 -0.054 0.000 0.755 120 G HN 0.514 nan 8.290 nan 0.000 0.507 121 L N -1.101 120.085 121.223 -0.061 0.000 2.341 121 L HA 0.527 4.870 4.340 0.004 0.000 0.214 121 L C 1.082 177.921 176.870 -0.051 0.000 1.115 121 L CA 1.081 55.889 54.840 -0.054 0.000 0.820 121 L CB 0.524 42.547 42.059 -0.061 0.000 0.944 121 L HN 0.248 nan 8.230 nan 0.000 0.452 122 V N -1.904 117.975 119.914 -0.058 0.000 2.969 122 V HA 0.306 4.429 4.120 0.004 0.000 0.304 122 V C -0.644 175.417 176.094 -0.054 0.000 1.192 122 V CA -0.781 61.486 62.300 -0.054 0.000 0.962 122 V CB 2.306 34.094 31.823 -0.059 0.000 1.045 122 V HN -0.059 nan 8.190 nan 0.000 0.428 123 S N 2.121 117.794 115.700 -0.045 0.000 2.562 123 S HA 0.897 5.369 4.470 0.004 0.000 0.275 123 S C 0.068 174.644 174.600 -0.040 0.000 1.281 123 S CA 0.595 58.771 58.200 -0.039 0.000 1.045 123 S CB 1.019 64.201 63.200 -0.030 0.000 0.962 123 S HN 1.676 nan 8.310 nan 0.000 0.503 124 G N 3.696 112.476 108.800 -0.034 0.000 2.324 124 G HA2 0.314 4.276 3.960 0.004 0.000 0.293 124 G HA3 0.314 4.276 3.960 0.004 0.000 0.293 124 G C -3.525 171.364 174.900 -0.019 0.000 1.297 124 G CA -0.830 44.254 45.100 -0.026 0.000 0.853 124 G HN 0.533 nan 8.290 nan 0.000 0.535 125 P HA 0.280 nan 4.420 nan 0.000 0.274 125 P C -0.344 176.916 177.300 -0.066 0.000 1.237 125 P CA -0.418 62.685 63.100 0.006 0.000 0.793 125 P CB 0.811 32.551 31.700 0.066 0.000 0.977 126 R N 2.001 122.439 120.500 -0.103 0.000 2.442 126 R HA 0.259 4.602 4.340 0.004 0.000 0.291 126 R C -0.269 175.820 176.300 -0.352 0.000 1.069 126 R CA -0.189 55.770 56.100 -0.234 0.000 1.022 126 R CB -0.338 29.803 30.300 -0.265 0.000 0.976 126 R HN 0.413 nan 8.270 nan 0.000 0.443 127 I N 4.834 125.177 120.570 -0.379 0.000 2.392 127 I HA 0.244 4.417 4.170 0.004 0.000 0.295 127 I C -0.579 175.267 176.117 -0.451 0.000 0.985 127 I CA -0.667 60.449 61.300 -0.305 0.000 1.221 127 I CB 1.326 39.236 38.000 -0.149 0.000 1.366 127 I HN 0.530 nan 8.210 nan 0.000 0.467 128 F N 6.403 126.363 119.950 0.016 0.000 2.307 128 F HA 0.345 4.874 4.527 0.004 0.000 0.369 128 F C -2.140 173.667 175.800 0.012 0.000 1.076 128 F CA -2.219 55.794 58.000 0.023 0.000 1.149 128 F CB 0.859 39.881 39.000 0.036 0.000 1.410 128 F HN 0.205 nan 8.300 nan 0.000 0.481 129 P HA 0.154 nan 4.420 nan 0.000 0.278 129 P C 0.030 177.374 177.300 0.074 0.000 1.238 129 P CA -0.199 62.958 63.100 0.094 0.000 0.794 129 P CB 1.929 33.687 31.700 0.096 0.000 0.955 130 S N 0.804 116.533 115.700 0.048 0.000 2.503 130 S HA 0.281 4.753 4.470 0.004 0.000 0.215 130 S C 1.249 175.865 174.600 0.026 0.000 1.003 130 S CA 0.616 58.828 58.200 0.019 0.000 0.910 130 S CB -0.406 62.803 63.200 0.017 0.000 0.790 130 S HN 0.887 nan 8.310 nan 0.000 0.514 131 G N 2.045 110.873 108.800 0.047 0.000 2.728 131 G HA2 -0.193 3.769 3.960 0.004 0.000 0.269 131 G HA3 -0.193 3.769 3.960 0.004 0.000 0.269 131 G C -0.751 174.173 174.900 0.040 0.000 1.334 131 G CA -0.293 44.836 45.100 0.048 0.000 0.974 131 G HN 0.298 nan 8.290 nan 0.000 0.550 132 K N 1.284 121.700 120.400 0.027 0.000 2.203 132 K HA 0.762 5.084 4.320 0.004 0.000 0.251 132 K C 0.408 177.019 176.600 0.019 0.000 0.944 132 K CA 0.034 56.332 56.287 0.018 0.000 0.829 132 K CB 1.824 34.326 32.500 0.002 0.000 1.125 132 K HN 1.168 nan 8.250 nan 0.000 0.430 133 A N 2.710 125.543 122.820 0.021 0.000 2.445 133 A HA 0.313 4.636 4.320 0.004 0.000 0.242 133 A C 0.011 177.613 177.584 0.030 0.000 1.075 133 A CA -0.309 51.749 52.037 0.035 0.000 0.777 133 A CB -0.072 18.952 19.000 0.040 0.000 1.013 133 A HN 0.618 nan 8.150 nan 0.000 0.493 134 L N 2.336 123.601 121.223 0.069 0.000 2.265 134 L HA 0.450 4.792 4.340 0.004 0.000 0.288 134 L C 0.552 177.566 176.870 0.241 0.000 1.058 134 L CA -0.087 54.824 54.840 0.118 0.000 0.809 134 L CB 1.194 43.300 42.059 0.080 0.000 1.179 134 L HN 0.687 nan 8.230 nan 0.000 0.429 135 S N 2.624 118.408 115.700 0.141 0.000 2.542 135 S HA 0.449 4.922 4.470 0.004 0.000 0.293 135 S C -0.549 173.943 174.600 -0.180 0.000 1.089 135 S CA -0.806 57.388 58.200 -0.011 0.000 0.961 135 S CB 1.712 64.829 63.200 -0.138 0.000 1.062 135 S HN 0.654 nan 8.310 nan 0.000 0.483 136 Q N 1.866 121.321 119.800 -0.575 0.000 2.396 136 Q HA 0.426 4.769 4.340 0.004 0.000 0.221 136 Q C -0.491 175.348 176.000 -0.268 0.000 1.025 136 Q CA -0.532 54.950 55.803 -0.535 0.000 0.946 136 Q CB -0.128 28.157 28.738 -0.755 0.000 1.224 136 Q HN 0.475 nan 8.270 nan 0.000 0.539 137 T N 1.000 115.442 114.554 -0.186 0.000 2.853 137 T HA 0.346 4.698 4.350 0.004 0.000 0.298 137 T C 0.998 175.625 174.700 -0.122 0.000 0.978 137 T CA 0.795 62.818 62.100 -0.129 0.000 1.152 137 T CB 0.109 68.925 68.868 -0.087 0.000 0.914 137 T HN 0.957 nan 8.240 nan 0.000 0.539 138 G N 2.737 111.471 108.800 -0.110 0.000 2.184 138 G HA2 -0.189 3.774 3.960 0.004 0.000 0.264 138 G HA3 -0.189 3.774 3.960 0.004 0.000 0.264 138 G C 0.589 175.434 174.900 -0.091 0.000 0.975 138 G CA 0.008 45.058 45.100 -0.084 0.000 0.642 138 G HN 1.111 nan 8.290 nan 0.000 0.536 139 G N -1.450 107.267 108.800 -0.138 0.000 2.516 139 G HA2 0.402 4.364 3.960 0.004 0.000 0.276 139 G HA3 0.402 4.364 3.960 0.004 0.000 0.276 139 G C 0.678 175.529 174.900 -0.082 0.000 1.390 139 G CA 0.597 45.622 45.100 -0.125 0.000 1.050 139 G HN 0.466 nan 8.290 nan 0.000 0.519 140 H N -0.854 118.106 119.070 -0.182 0.000 2.524 140 H HA 0.060 4.618 4.556 0.004 0.000 0.282 140 H C 2.279 177.407 175.328 -0.334 0.000 1.016 140 H CA 1.406 57.335 56.048 -0.199 0.000 1.270 140 H CB -0.108 29.513 29.762 -0.235 0.000 1.394 140 H HN 0.394 nan 8.280 nan 0.000 0.568 141 G N -1.156 107.363 108.800 -0.467 0.000 3.020 141 G HA2 -0.050 3.913 3.960 0.004 0.000 0.217 141 G HA3 -0.050 3.913 3.960 0.004 0.000 0.217 141 G C -0.016 174.253 174.900 -1.052 0.000 1.144 141 G CA -0.137 44.482 45.100 -0.802 0.000 0.760 141 G HN 0.251 nan 8.290 nan 0.000 0.548 142 D N 0.484 120.490 120.400 -0.656 0.000 2.336 142 D HA 0.213 4.856 4.640 0.004 0.000 0.249 142 D C -0.224 175.821 176.300 -0.426 0.000 1.213 142 D CA -0.564 53.163 54.000 -0.454 0.000 0.870 142 D CB 0.544 41.207 40.800 -0.228 0.000 1.076 142 D HN 0.041 nan 8.370 nan 0.000 0.483 143 F N 2.347 122.269 119.950 -0.047 0.000 2.639 143 F HA 0.258 4.788 4.527 0.004 0.000 0.300 143 F C 1.292 177.078 175.800 -0.023 0.000 1.109 143 F CA -0.446 57.533 58.000 -0.035 0.000 1.335 143 F CB -0.041 38.931 39.000 -0.045 0.000 1.014 143 F HN -0.022 nan 8.300 nan 0.000 0.537 144 R N 2.019 122.572 120.500 0.088 0.000 2.539 144 R HA 0.257 4.600 4.340 0.004 0.000 0.275 144 R C -1.970 174.359 176.300 0.049 0.000 1.077 144 R CA -1.450 54.683 56.100 0.055 0.000 1.097 144 R CB 0.105 30.412 30.300 0.013 0.000 1.018 144 R HN -0.018 nan 8.270 nan 0.000 0.483 145 P HA 0.090 nan 4.420 nan 0.000 0.277 145 P C -0.398 176.915 177.300 0.021 0.000 1.276 145 P CA -0.349 62.771 63.100 0.033 0.000 0.788 145 P CB 0.669 32.385 31.700 0.027 0.000 1.114 146 R N -0.658 119.853 120.500 0.018 0.000 2.325 146 R HA 0.111 4.454 4.340 0.004 0.000 0.214 146 R C 1.853 178.158 176.300 0.008 0.000 0.961 146 R CA 0.597 56.703 56.100 0.012 0.000 1.086 146 R CB -0.864 29.444 30.300 0.012 0.000 1.037 146 R HN 0.671 nan 8.270 nan 0.000 0.493 147 G N -0.473 108.332 108.800 0.009 0.000 2.607 147 G HA2 -0.078 3.884 3.960 0.004 0.000 0.215 147 G HA3 -0.078 3.884 3.960 0.004 0.000 0.215 147 G C -0.100 174.803 174.900 0.005 0.000 1.275 147 G CA 0.501 45.605 45.100 0.007 0.000 0.842 147 G HN 0.256 nan 8.290 nan 0.000 0.555 148 D N -1.384 119.019 120.400 0.004 0.000 2.602 148 D HA 0.501 5.143 4.640 0.004 0.000 0.236 148 D C -1.091 175.208 176.300 -0.000 0.000 1.209 148 D CA -0.400 53.601 54.000 0.001 0.000 0.831 148 D CB 2.119 42.920 40.800 0.002 0.000 1.478 148 D HN 0.010 nan 8.370 nan 0.000 0.438 149 L N 1.838 123.059 121.223 -0.004 0.000 2.353 149 L HA 0.479 4.822 4.340 0.004 0.000 0.270 149 L C -0.562 176.303 176.870 -0.008 0.000 1.003 149 L CA -0.429 54.406 54.840 -0.009 0.000 0.862 149 L CB 1.159 43.209 42.059 -0.015 0.000 1.221 149 L HN 0.090 nan 8.230 nan 0.000 0.430 150 L N 2.319 123.538 121.223 -0.007 0.000 2.331 150 L HA 0.411 4.754 4.340 0.004 0.000 0.275 150 L C 0.235 177.098 176.870 -0.012 0.000 1.022 150 L CA -0.787 54.049 54.840 -0.006 0.000 0.812 150 L CB 2.142 44.201 42.059 -0.001 0.000 1.257 150 L HN 0.511 nan 8.230 nan 0.000 0.435 151 E N 3.166 123.358 120.200 -0.014 0.000 2.406 151 E HA 0.080 4.432 4.350 0.004 0.000 0.258 151 E C -2.128 174.454 176.600 -0.030 0.000 1.043 151 E CA -1.233 55.152 56.400 -0.025 0.000 0.929 151 E CB 0.117 29.804 29.700 -0.023 0.000 0.969 151 E HN 0.230 nan 8.360 nan 0.000 0.462 152 P HA 0.053 nan 4.420 nan 0.000 0.274 152 P C 0.417 177.647 177.300 -0.116 0.000 1.504 152 P CA -0.381 62.684 63.100 -0.059 0.000 1.011 152 P CB 0.112 31.780 31.700 -0.054 0.000 1.366 153 C N 0.937 120.168 119.300 -0.115 0.000 2.456 153 C HA -0.039 4.423 4.460 0.004 0.000 0.279 153 C C 1.841 176.474 174.990 -0.595 0.000 1.427 153 C CA 0.653 59.530 59.018 -0.236 0.000 1.778 153 C CB -1.685 26.025 27.740 -0.049 0.000 1.842 153 C HN 0.492 nan 8.230 nan 0.000 0.531 154 S N -0.787 114.727 115.700 -0.310 0.000 2.754 154 S HA 0.039 4.512 4.470 0.004 0.000 0.223 154 S C 1.244 175.704 174.600 -0.234 0.000 0.951 154 S CA 0.582 58.626 58.200 -0.260 0.000 0.954 154 S CB -1.365 61.877 63.200 0.071 0.000 0.780 154 S HN 0.751 nan 8.310 nan 0.000 0.509 155 C N 0.193 119.323 119.300 -0.283 0.000 2.422 155 C HA -0.042 4.421 4.460 0.004 0.000 0.279 155 C C 2.704 177.591 174.990 -0.171 0.000 1.305 155 C CA 0.395 59.305 59.018 -0.181 0.000 1.757 155 C CB -1.566 26.073 27.740 -0.167 0.000 1.962 155 C HN 0.806 nan 8.230 nan 0.000 0.499 156 C N -1.041 118.077 119.300 -0.304 0.000 2.558 156 C HA 0.171 4.633 4.460 0.004 0.000 0.288 156 C C 2.239 177.258 174.990 0.048 0.000 1.338 156 C CA 0.103 59.033 59.018 -0.146 0.000 1.760 156 C CB -1.220 26.431 27.740 -0.148 0.000 2.159 156 C HN 0.623 nan 8.230 nan 0.000 0.518 157 F N 0.804 120.761 119.950 0.010 0.000 2.456 157 F HA 0.056 4.586 4.527 0.004 0.000 0.298 157 F C 1.243 177.050 175.800 0.012 0.000 1.104 157 F CA 0.124 58.131 58.000 0.010 0.000 1.435 157 F CB -0.084 38.921 39.000 0.008 0.000 1.078 157 F HN -0.002 nan 8.300 nan 0.000 0.546 158 R N 1.410 122.002 120.500 0.153 0.000 2.234 158 R HA 0.091 4.434 4.340 0.004 0.000 0.324 158 R C 1.160 177.502 176.300 0.071 0.000 1.054 158 R CA 0.186 56.342 56.100 0.094 0.000 0.912 158 R CB 0.274 30.611 30.300 0.061 0.000 1.030 158 R HN 0.153 nan 8.270 nan 0.000 0.455 159 T N -1.147 113.445 114.554 0.063 0.000 2.985 159 T HA -0.060 4.292 4.350 0.004 0.000 0.266 159 T C 1.808 176.526 174.700 0.031 0.000 1.076 159 T CA 0.985 63.115 62.100 0.049 0.000 1.135 159 T CB 0.058 68.952 68.868 0.044 0.000 0.890 159 T HN 0.594 nan 8.240 nan 0.000 0.480 160 G N 1.296 110.110 108.800 0.023 0.000 2.598 160 G HA2 0.379 4.341 3.960 0.004 0.000 0.215 160 G HA3 0.379 4.341 3.960 0.004 0.000 0.215 160 G C 0.631 175.535 174.900 0.005 0.000 1.131 160 G CA 0.116 45.220 45.100 0.006 0.000 0.785 160 G HN 0.859 nan 8.290 nan 0.000 0.539 161 A N 0.376 123.212 122.820 0.026 0.000 2.388 161 A HA 0.545 4.867 4.320 0.004 0.000 0.257 161 A C 1.234 178.837 177.584 0.031 0.000 1.095 161 A CA -0.394 51.672 52.037 0.048 0.000 0.791 161 A CB 0.490 19.518 19.000 0.046 0.000 1.029 161 A HN 0.071 nan 8.150 nan 0.000 0.489 162 I N 0.571 121.171 120.570 0.049 0.000 2.731 162 I HA 0.131 4.304 4.170 0.004 0.000 0.260 162 I C 1.396 177.507 176.117 -0.010 0.000 1.138 162 I CA 1.528 62.816 61.300 -0.019 0.000 1.461 162 I CB -1.578 36.360 38.000 -0.104 0.000 1.128 162 I HN 0.659 nan 8.210 nan 0.000 0.438 163 A N 1.928 124.740 122.820 -0.013 0.000 2.464 163 A HA 0.859 5.182 4.320 0.004 0.000 0.268 163 A C -0.225 177.319 177.584 -0.066 0.000 1.244 163 A CA -0.527 51.473 52.037 -0.063 0.000 0.871 163 A CB 1.532 20.437 19.000 -0.159 0.000 1.400 163 A HN 0.305 nan 8.150 nan 0.000 0.455 164 R N -1.151 119.303 120.500 -0.077 0.000 2.643 164 R HA 0.615 4.957 4.340 0.004 0.000 0.269 164 R C -2.140 174.112 176.300 -0.079 0.000 1.037 164 R CA -0.738 55.314 56.100 -0.081 0.000 0.894 164 R CB 1.374 31.637 30.300 -0.062 0.000 1.238 164 R HN 0.302 nan 8.270 nan 0.000 0.459 165 V N 2.849 122.707 119.914 -0.094 0.000 2.339 165 V HA 0.307 4.430 4.120 0.004 0.000 0.261 165 V C -0.008 176.058 176.094 -0.046 0.000 1.058 165 V CA -0.465 61.783 62.300 -0.087 0.000 0.897 165 V CB 0.783 32.539 31.823 -0.110 0.000 1.052 165 V HN 0.578 nan 8.190 nan 0.000 0.480 166 V N 1.334 121.252 119.914 0.006 0.000 2.531 166 V HA 0.794 4.917 4.120 0.004 0.000 0.301 166 V C -0.937 175.218 176.094 0.102 0.000 1.034 166 V CA -0.726 61.600 62.300 0.043 0.000 0.865 166 V CB 1.948 33.803 31.823 0.052 0.000 0.995 166 V HN 0.661 nan 8.190 nan 0.000 0.424 167 D N 2.158 122.597 120.400 0.065 0.000 2.423 167 D HA 0.848 5.491 4.640 0.004 0.000 0.235 167 D C 0.270 176.617 176.300 0.079 0.000 1.011 167 D CA 0.653 54.702 54.000 0.082 0.000 0.963 167 D CB 1.756 42.565 40.800 0.014 0.000 1.349 167 D HN 1.449 nan 8.370 nan 0.000 0.508 168 G N -1.024 107.831 108.800 0.091 0.000 2.722 168 G HA2 -0.156 3.807 3.960 0.004 0.000 0.686 168 G HA3 -0.156 3.807 3.960 0.004 0.000 0.686 168 G C 0.628 175.560 174.900 0.053 0.000 1.282 168 G CA -0.412 44.724 45.100 0.060 0.000 0.817 168 G HN 0.413 nan 8.290 nan 0.000 0.605 169 V N 1.338 121.272 119.914 0.034 0.000 2.427 169 V HA -0.106 4.016 4.120 0.004 0.000 0.248 169 V C 2.533 178.629 176.094 0.003 0.000 1.051 169 V CA 2.554 64.862 62.300 0.013 0.000 1.048 169 V CB -0.382 31.446 31.823 0.009 0.000 0.666 169 V HN 0.761 nan 8.190 nan 0.000 0.456 170 E N 0.735 120.940 120.200 0.007 0.000 2.216 170 E HA -0.043 4.310 4.350 0.004 0.000 0.192 170 E C 2.328 178.930 176.600 0.003 0.000 0.988 170 E CA 1.169 57.571 56.400 0.002 0.000 0.834 170 E CB -0.382 29.320 29.700 0.003 0.000 0.772 170 E HN 0.614 nan 8.360 nan 0.000 0.479 171 G N 1.571 110.378 108.800 0.011 0.000 2.394 171 G HA2 -0.184 3.778 3.960 0.004 0.000 0.215 171 G HA3 -0.184 3.778 3.960 0.004 0.000 0.215 171 G C 1.809 176.715 174.900 0.010 0.000 1.165 171 G CA 1.233 46.340 45.100 0.013 0.000 0.784 171 G HN 0.291 nan 8.290 nan 0.000 0.535 172 V N -0.970 118.950 119.914 0.011 0.000 2.719 172 V HA 0.111 4.233 4.120 0.004 0.000 0.252 172 V C 2.470 178.543 176.094 -0.035 0.000 1.065 172 V CA 1.759 64.051 62.300 -0.013 0.000 1.086 172 V CB -0.538 31.252 31.823 -0.054 0.000 0.700 172 V HN 0.332 nan 8.190 nan 0.000 0.467 173 R N 0.106 120.590 120.500 -0.028 0.000 2.083 173 R HA -0.143 4.200 4.340 0.004 0.000 0.237 173 R C 2.288 178.574 176.300 -0.022 0.000 1.137 173 R CA 2.206 58.289 56.100 -0.028 0.000 0.951 173 R CB -0.453 29.835 30.300 -0.020 0.000 0.851 173 R HN 0.552 nan 8.270 nan 0.000 0.434 174 L N 0.635 121.849 121.223 -0.015 0.000 2.046 174 L HA -0.061 4.282 4.340 0.004 0.000 0.208 174 L C 2.309 179.170 176.870 -0.014 0.000 1.077 174 L CA 2.067 56.900 54.840 -0.012 0.000 0.747 174 L CB -0.494 41.561 42.059 -0.007 0.000 0.896 174 L HN 0.284 nan 8.230 nan 0.000 0.432 175 A N -1.092 121.720 122.820 -0.015 0.000 1.902 175 A HA -0.158 4.165 4.320 0.004 0.000 0.217 175 A C 2.225 179.796 177.584 -0.021 0.000 1.181 175 A CA 2.043 54.071 52.037 -0.015 0.000 0.623 175 A CB -1.105 17.890 19.000 -0.009 0.000 0.818 175 A HN 0.310 nan 8.150 nan 0.000 0.443 176 V N -0.095 119.801 119.914 -0.030 0.000 2.343 176 V HA -0.275 3.848 4.120 0.004 0.000 0.247 176 V C 2.607 178.683 176.094 -0.031 0.000 1.051 176 V CA 2.282 64.561 62.300 -0.036 0.000 1.036 176 V CB -0.868 30.928 31.823 -0.045 0.000 0.654 176 V HN 0.527 nan 8.190 nan 0.000 0.451 177 R N -0.172 120.312 120.500 -0.028 0.000 2.096 177 R HA -0.157 4.185 4.340 0.004 0.000 0.235 177 R C 2.340 178.623 176.300 -0.027 0.000 1.127 177 R CA 1.576 57.660 56.100 -0.027 0.000 0.968 177 R CB -0.281 30.006 30.300 -0.022 0.000 0.861 177 R HN 0.613 nan 8.270 nan 0.000 0.440 178 E N 0.268 120.455 120.200 -0.022 0.000 2.051 178 E HA -0.179 4.174 4.350 0.004 0.000 0.192 178 E C 1.878 178.465 176.600 -0.021 0.000 0.991 178 E CA 0.983 57.372 56.400 -0.018 0.000 0.799 178 E CB 0.119 29.814 29.700 -0.007 0.000 0.748 178 E HN 0.237 nan 8.360 nan 0.000 0.449 179 E N 0.327 120.515 120.200 -0.019 0.000 2.208 179 E HA -0.109 4.244 4.350 0.004 0.000 0.193 179 E C 2.074 178.660 176.600 -0.023 0.000 0.988 179 E CA 0.584 56.976 56.400 -0.014 0.000 0.828 179 E CB -0.027 29.667 29.700 -0.010 0.000 0.763 179 E HN 0.348 nan 8.360 nan 0.000 0.478 180 I N 1.130 121.680 120.570 -0.033 0.000 2.353 180 I HA -0.284 3.888 4.170 0.004 0.000 0.248 180 I C 2.577 178.656 176.117 -0.063 0.000 1.119 180 I CA 1.137 62.414 61.300 -0.038 0.000 1.417 180 I CB -0.015 37.964 38.000 -0.036 0.000 1.078 180 I HN 0.064 nan 8.210 nan 0.000 0.421 181 Q N 1.016 120.772 119.800 -0.073 0.000 2.311 181 Q HA -0.141 4.202 4.340 0.004 0.000 0.203 181 Q C 1.873 177.774 176.000 -0.166 0.000 0.954 181 Q CA 1.355 57.090 55.803 -0.112 0.000 0.885 181 Q CB -0.231 28.455 28.738 -0.087 0.000 0.963 181 Q HN 0.258 nan 8.270 nan 0.000 0.471 182 K N -0.324 120.007 120.400 -0.115 0.000 2.148 182 K HA 0.013 4.335 4.320 0.004 0.000 0.204 182 K C 0.677 177.177 176.600 -0.167 0.000 1.050 182 K CA 1.065 57.284 56.287 -0.113 0.000 0.942 182 K CB -0.032 32.455 32.500 -0.022 0.000 0.724 182 K HN 0.506 nan 8.250 nan 0.000 0.446 183 G N -0.525 108.205 108.800 -0.118 0.000 2.240 183 G HA2 -0.073 3.889 3.960 0.004 0.000 0.181 183 G HA3 -0.073 3.889 3.960 0.004 0.000 0.181 183 G C -0.156 174.831 174.900 0.145 0.000 1.028 183 G CA -0.230 44.816 45.100 -0.091 0.000 0.760 183 G HN 0.382 nan 8.290 nan 0.000 0.508 184 A N 0.422 123.290 122.820 0.079 0.000 2.445 184 A HA 0.667 4.990 4.320 0.004 0.000 0.242 184 A C 1.609 179.234 177.584 0.068 0.000 1.075 184 A CA 1.332 53.417 52.037 0.081 0.000 0.777 184 A CB 0.400 19.417 19.000 0.029 0.000 1.013 184 A HN 1.327 nan 8.150 nan 0.000 0.493 185 T N -1.409 113.195 114.554 0.082 0.000 3.037 185 T HA 0.210 4.562 4.350 0.004 0.000 0.251 185 T C 0.548 175.195 174.700 -0.087 0.000 1.079 185 T CA 0.726 62.865 62.100 0.065 0.000 1.067 185 T CB -0.062 68.927 68.868 0.201 0.000 0.948 185 T HN 0.914 nan 8.240 nan 0.000 0.496 186 Q N 0.134 119.840 119.800 -0.156 0.000 2.626 186 Q HA 0.550 4.893 4.340 0.004 0.000 0.300 186 Q C -1.656 174.211 176.000 -0.223 0.000 0.988 186 Q CA -1.044 54.530 55.803 -0.382 0.000 0.761 186 Q CB 1.206 29.464 28.738 -0.800 0.000 1.494 186 Q HN 0.180 nan 8.270 nan 0.000 0.439 190 M N 3.041 122.828 119.600 0.311 0.000 2.628 190 M HA 0.418 4.900 4.480 0.004 0.000 0.327 190 M C 0.795 177.295 176.300 0.334 0.000 1.223 190 M CA -0.273 55.209 55.300 0.303 0.000 1.221 190 M CB 0.332 33.037 32.600 0.176 0.000 1.202 190 M HN 0.923 nan 8.290 nan 0.000 0.473 191 A N 1.708 124.711 122.820 0.306 0.000 2.119 191 A HA 0.136 4.459 4.320 0.004 0.000 0.216 191 A C 1.124 178.807 177.584 0.164 0.000 1.152 191 A CA 0.983 53.160 52.037 0.233 0.000 0.708 191 A CB 0.092 19.183 19.000 0.152 0.000 0.805 191 A HN 0.665 nan 8.150 nan 0.000 0.460 192 S N -2.393 113.418 115.700 0.187 0.000 2.697 192 S HA 0.650 5.123 4.470 0.004 0.000 0.289 192 S C 0.222 174.912 174.600 0.150 0.000 1.149 192 S CA -0.225 58.043 58.200 0.114 0.000 0.850 192 S CB 0.811 64.018 63.200 0.011 0.000 1.151 192 S HN 0.829 nan 8.310 nan 0.000 0.491 193 G N -0.691 108.164 108.800 0.092 0.000 2.491 193 G HA2 0.517 4.479 3.960 0.004 0.000 0.242 193 G HA3 0.517 4.479 3.960 0.004 0.000 0.242 193 G C 0.294 175.239 174.900 0.074 0.000 1.266 193 G CA -0.055 45.076 45.100 0.051 0.000 0.844 193 G HN 1.070 nan 8.290 nan 0.000 0.571 194 G N -0.982 107.677 108.800 -0.234 0.000 3.262 194 G HA2 0.451 4.414 3.960 0.004 0.000 0.229 194 G HA3 0.451 4.414 3.960 0.004 0.000 0.229 194 G C 0.307 175.236 174.900 0.047 0.000 1.280 194 G CA 0.160 45.071 45.100 -0.316 0.000 0.951 194 G HN 0.583 nan 8.290 nan 0.000 0.589 195 V N 0.146 120.197 119.914 0.229 0.000 2.806 195 V HA 0.185 4.308 4.120 0.004 0.000 0.239 195 V C 2.967 179.225 176.094 0.273 0.000 1.113 195 V CA 1.678 64.124 62.300 0.243 0.000 1.137 195 V CB 0.138 32.118 31.823 0.263 0.000 0.865 195 V HN 0.766 nan 8.190 nan 0.000 0.482 196 A N 0.740 123.798 122.820 0.396 0.000 1.969 196 A HA -0.057 4.265 4.320 0.004 0.000 0.218 196 A C 1.565 179.331 177.584 0.302 0.000 1.169 196 A CA 1.236 53.440 52.037 0.278 0.000 0.635 196 A CB -0.538 18.593 19.000 0.219 0.000 0.810 196 A HN 0.632 nan 8.150 nan 0.000 0.445 197 S N -0.026 115.929 115.700 0.424 0.000 2.548 197 S HA 0.354 4.827 4.470 0.004 0.000 0.277 197 S C -1.511 173.229 174.600 0.233 0.000 1.315 197 S CA -0.792 57.635 58.200 0.378 0.000 1.050 197 S CB 1.025 64.410 63.200 0.308 0.000 0.918 197 S HN 0.290 nan 8.310 nan 0.000 0.497 198 P HA -0.027 nan 4.420 nan 0.000 0.224 198 P C 1.413 178.762 177.300 0.083 0.000 1.157 198 P CA 1.075 64.246 63.100 0.119 0.000 0.799 198 P CB -0.258 31.505 31.700 0.105 0.000 0.809 199 T N -2.599 112.000 114.554 0.075 0.000 2.983 199 T HA -0.012 4.340 4.350 0.004 0.000 0.250 199 T C 0.746 175.468 174.700 0.037 0.000 1.037 199 T CA 0.128 62.254 62.100 0.043 0.000 1.142 199 T CB -0.936 67.945 68.868 0.022 0.000 0.876 199 T HN 0.131 nan 8.240 nan 0.000 0.455 200 D N 3.187 123.615 120.400 0.047 0.000 2.277 200 D HA 0.335 4.978 4.640 0.004 0.000 0.249 200 D C -2.975 173.347 176.300 0.038 0.000 1.134 200 D CA -2.098 51.923 54.000 0.035 0.000 0.863 200 D CB 1.342 42.161 40.800 0.032 0.000 1.143 200 D HN 0.138 nan 8.370 nan 0.000 0.458 201 P HA 0.036 nan 4.420 nan 0.000 0.269 201 P C 1.193 178.507 177.300 0.024 0.000 1.215 201 P CA -0.514 62.596 63.100 0.017 0.000 0.780 201 P CB 1.087 32.791 31.700 0.007 0.000 0.898 202 I N 1.484 122.062 120.570 0.013 0.000 2.286 202 I HA -0.262 3.911 4.170 0.004 0.000 0.248 202 I C 1.589 177.731 176.117 0.042 0.000 1.115 202 I CA 1.874 63.193 61.300 0.032 0.000 1.392 202 I CB -0.424 37.529 38.000 -0.078 0.000 1.065 202 I HN 0.314 nan 8.210 nan 0.000 0.418 203 A N 1.942 124.768 122.820 0.010 0.000 1.902 203 A HA -0.181 4.142 4.320 0.004 0.000 0.217 203 A C 1.112 178.708 177.584 0.021 0.000 1.181 203 A CA 1.244 53.286 52.037 0.009 0.000 0.623 203 A CB -0.965 18.032 19.000 -0.006 0.000 0.818 203 A HN 0.767 nan 8.150 nan 0.000 0.443 204 N N 1.264 119.977 118.700 0.022 0.000 2.520 204 N HA 0.159 4.902 4.740 0.004 0.000 0.273 204 N C -0.140 175.389 175.510 0.031 0.000 1.155 204 N CA 0.503 53.566 53.050 0.021 0.000 0.967 204 N CB 0.510 39.004 38.487 0.012 0.000 1.092 204 N HN 0.298 nan 8.380 nan 0.000 0.457 205 T N -0.307 114.266 114.554 0.032 0.000 2.918 205 T HA 0.155 4.508 4.350 0.004 0.000 0.302 205 T C -0.006 174.716 174.700 0.036 0.000 1.045 205 T CA -0.431 61.695 62.100 0.043 0.000 1.114 205 T CB 1.043 69.939 68.868 0.046 0.000 0.965 205 T HN 0.600 nan 8.240 nan 0.000 0.540 206 Q N 0.682 120.514 119.800 0.053 0.000 2.351 206 Q HA 0.551 4.893 4.340 0.004 0.000 0.273 206 Q C -1.339 174.720 176.000 0.098 0.000 1.077 206 Q CA -1.028 54.778 55.803 0.005 0.000 0.843 206 Q CB 1.920 30.629 28.738 -0.048 0.000 1.367 206 Q HN 0.830 nan 8.270 nan 0.000 0.449 207 Y N -0.796 119.516 120.300 0.020 0.000 2.513 207 Y HA -0.305 4.248 4.550 0.005 0.000 0.021 207 Y C 0.057 175.964 175.900 0.012 0.000 1.708 207 Y CA 0.282 58.390 58.100 0.015 0.000 1.415 207 Y CB -0.440 38.031 38.460 0.018 0.000 2.060 207 Y HN 0.769 nan 8.280 nan 0.000 0.255 208 S N 1.000 116.836 115.700 0.227 0.000 2.652 208 S HA 0.309 4.781 4.470 0.004 0.000 0.270 208 S C 0.682 175.334 174.600 0.086 0.000 1.243 208 S CA -0.287 57.983 58.200 0.117 0.000 0.999 208 S CB 1.779 65.029 63.200 0.085 0.000 0.973 208 S HN 0.693 nan 8.310 nan 0.000 0.544 209 E N 0.490 120.720 120.200 0.051 0.000 2.204 209 E HA -0.151 4.202 4.350 0.004 0.000 0.194 209 E C 0.896 177.502 176.600 0.011 0.000 0.989 209 E CA 1.144 57.560 56.400 0.026 0.000 0.824 209 E CB -0.134 29.578 29.700 0.020 0.000 0.756 209 E HN 0.645 nan 8.360 nan 0.000 0.477 210 D N 0.848 121.259 120.400 0.017 0.000 2.117 210 D HA -0.130 4.512 4.640 0.004 0.000 0.198 210 D C 1.731 178.027 176.300 -0.007 0.000 0.982 210 D CA 0.914 54.918 54.000 0.007 0.000 0.828 210 D CB -0.092 40.717 40.800 0.015 0.000 0.967 210 D HN 0.248 nan 8.370 nan 0.000 0.464 211 E N 0.307 120.509 120.200 0.004 0.000 2.051 211 E HA -0.103 4.250 4.350 0.004 0.000 0.192 211 E C 2.359 178.871 176.600 -0.147 0.000 0.991 211 E CA 0.537 56.911 56.400 -0.044 0.000 0.799 211 E CB -0.016 29.712 29.700 0.047 0.000 0.748 211 E HN 0.256 nan 8.360 nan 0.000 0.449 212 I N 0.614 121.106 120.570 -0.130 0.000 2.226 212 I HA -0.271 3.901 4.170 0.004 0.000 0.245 212 I C 2.474 178.534 176.117 -0.095 0.000 1.100 212 I CA 1.086 62.297 61.300 -0.148 0.000 1.374 212 I CB -0.218 37.739 38.000 -0.072 0.000 1.057 212 I HN 0.010 nan 8.210 nan 0.000 0.413 213 R N 0.666 121.131 120.500 -0.059 0.000 2.096 213 R HA -0.112 4.230 4.340 0.004 0.000 0.235 213 R C 2.469 178.743 176.300 -0.043 0.000 1.127 213 R CA 1.378 57.453 56.100 -0.042 0.000 0.968 213 R CB -0.401 29.883 30.300 -0.026 0.000 0.861 213 R HN 0.386 nan 8.270 nan 0.000 0.440 214 A N 1.205 123.995 122.820 -0.051 0.000 1.877 214 A HA -0.145 4.178 4.320 0.004 0.000 0.216 214 A C 2.115 179.663 177.584 -0.059 0.000 1.186 214 A CA 1.192 53.200 52.037 -0.048 0.000 0.620 214 A CB -0.448 18.525 19.000 -0.046 0.000 0.822 214 A HN 0.168 nan 8.150 nan 0.000 0.443 215 I N -0.486 120.030 120.570 -0.091 0.000 2.127 215 I HA -0.246 3.927 4.170 0.004 0.000 0.241 215 I C 2.381 178.461 176.117 -0.063 0.000 1.075 215 I CA 1.313 62.554 61.300 -0.098 0.000 1.334 215 I CB -0.469 37.433 38.000 -0.164 0.000 1.040 215 I HN 0.154 nan 8.210 nan 0.000 0.405 216 V N 0.866 120.749 119.914 -0.052 0.000 2.287 216 V HA -0.337 3.786 4.120 0.004 0.000 0.248 216 V C 2.096 178.182 176.094 -0.013 0.000 1.053 216 V CA 2.236 64.523 62.300 -0.022 0.000 1.027 216 V CB -0.681 31.131 31.823 -0.019 0.000 0.646 216 V HN 0.413 nan 8.190 nan 0.000 0.447 217 D N -0.640 119.749 120.400 -0.019 0.000 2.144 217 D HA -0.127 4.515 4.640 0.004 0.000 0.199 217 D C 2.318 178.610 176.300 -0.012 0.000 0.984 217 D CA 0.901 54.894 54.000 -0.012 0.000 0.834 217 D CB -0.188 40.603 40.800 -0.014 0.000 0.955 217 D HN 0.376 nan 8.370 nan 0.000 0.465 218 E N 0.394 120.581 120.200 -0.022 0.000 2.107 218 E HA -0.045 4.307 4.350 0.004 0.000 0.191 218 E C 2.048 178.635 176.600 -0.022 0.000 0.982 218 E CA 0.673 57.059 56.400 -0.023 0.000 0.809 218 E CB -0.237 29.444 29.700 -0.032 0.000 0.756 218 E HN 0.206 nan 8.360 nan 0.000 0.459 219 A N 1.546 124.352 122.820 -0.024 0.000 1.865 219 A HA -0.222 4.100 4.320 0.004 0.000 0.217 219 A C 2.028 179.611 177.584 -0.001 0.000 1.191 219 A CA 1.718 53.740 52.037 -0.024 0.000 0.623 219 A CB -0.565 18.419 19.000 -0.027 0.000 0.826 219 A HN 0.220 nan 8.150 nan 0.000 0.444 220 E N -0.308 119.901 120.200 0.014 0.000 2.204 220 E HA -0.047 4.305 4.350 0.004 0.000 0.195 220 E C 2.023 178.633 176.600 0.016 0.000 0.990 220 E CA 0.694 57.109 56.400 0.027 0.000 0.821 220 E CB -0.254 29.463 29.700 0.029 0.000 0.750 220 E HN 0.624 nan 8.360 nan 0.000 0.477 221 A N 0.895 123.719 122.820 0.005 0.000 2.172 221 A HA 0.084 4.406 4.320 0.004 0.000 0.216 221 A C 1.994 179.579 177.584 0.001 0.000 1.154 221 A CA 1.185 53.224 52.037 0.002 0.000 0.701 221 A CB -0.040 18.957 19.000 -0.004 0.000 0.789 221 A HN 0.223 nan 8.150 nan 0.000 0.465 222 A N -0.757 122.064 122.820 0.000 0.000 2.535 222 A HA 0.354 4.677 4.320 0.004 0.000 0.273 222 A C 0.418 178.009 177.584 0.012 0.000 1.267 222 A CA -0.166 51.871 52.037 0.000 0.000 0.940 222 A CB -0.230 18.764 19.000 -0.011 0.000 1.101 222 A HN 0.364 nan 8.150 nan 0.000 0.521 223 N N 0.595 119.308 118.700 0.021 0.000 2.696 223 N HA -0.140 4.603 4.740 0.004 0.000 0.256 223 N C 0.037 175.579 175.510 0.053 0.000 1.031 223 N CA 1.614 54.686 53.050 0.037 0.000 0.730 223 N CB -1.270 37.238 38.487 0.035 0.000 0.894 223 N HN 0.730 nan 8.380 nan 0.000 0.544 224 T N -1.651 112.936 114.554 0.055 0.000 2.587 224 T HA 0.708 5.060 4.350 0.004 0.000 0.282 224 T C -1.473 173.305 174.700 0.131 0.000 1.018 224 T CA -0.283 61.864 62.100 0.078 0.000 1.120 224 T CB 1.191 70.027 68.868 -0.054 0.000 1.538 224 T HN 0.251 nan 8.240 nan 0.000 0.480 225 Y N -1.384 118.913 120.300 -0.006 0.000 2.715 225 Y HA 0.852 5.404 4.550 0.004 0.000 0.331 225 Y C -1.614 174.286 175.900 -0.001 0.000 1.197 225 Y CA -1.302 56.797 58.100 -0.002 0.000 1.079 225 Y CB 0.828 39.287 38.460 -0.001 0.000 1.298 225 Y HN 0.384 nan 8.280 nan 0.000 0.477 226 V N 3.727 123.751 119.914 0.184 0.000 2.448 226 V HA 0.410 4.533 4.120 0.004 0.000 0.295 226 V C -0.098 176.122 176.094 0.209 0.000 1.025 226 V CA -0.875 61.475 62.300 0.083 0.000 0.859 226 V CB 1.405 33.255 31.823 0.045 0.000 0.988 226 V HN 0.813 nan 8.190 nan 0.000 0.431 227 M N 3.655 123.341 119.600 0.142 0.000 2.318 227 M HA 0.932 5.415 4.480 0.004 0.000 0.347 227 M C -0.382 176.005 176.300 0.145 0.000 1.175 227 M CA -0.387 55.020 55.300 0.179 0.000 1.075 227 M CB 1.678 34.389 32.600 0.185 0.000 1.614 227 M HN 0.558 nan 8.290 nan 0.000 0.456 228 A N 1.356 124.269 122.820 0.155 0.000 2.381 228 A HA 0.474 4.797 4.320 0.004 0.000 0.299 228 A C -1.373 176.329 177.584 0.198 0.000 1.049 228 A CA -0.680 51.454 52.037 0.162 0.000 0.715 228 A CB 0.640 19.707 19.000 0.112 0.000 1.222 228 A HN 0.986 nan 8.150 nan 0.000 0.428 229 H N 2.047 121.215 119.070 0.164 0.000 2.955 229 H HA 0.552 5.111 4.556 0.004 0.000 0.290 229 H C -0.025 175.311 175.328 0.014 0.000 1.047 229 H CA 1.014 57.157 56.048 0.160 0.000 1.484 229 H CB 0.461 30.341 29.762 0.197 0.000 1.501 229 H HN 0.884 nan 8.280 nan 0.000 0.521 230 A N 4.995 127.541 122.820 -0.457 0.000 2.486 230 A HA 0.448 4.771 4.320 0.004 0.000 0.300 230 A C -1.371 175.954 177.584 -0.431 0.000 1.048 230 A CA -0.675 51.138 52.037 -0.374 0.000 0.696 230 A CB 0.770 19.720 19.000 -0.085 0.000 1.278 230 A HN 0.694 nan 8.150 nan 0.000 0.405 231 Y N 0.703 120.875 120.300 -0.213 0.000 2.808 231 Y HA 0.185 4.738 4.550 0.005 0.000 0.244 231 Y C 1.978 177.833 175.900 -0.074 0.000 1.033 231 Y CA 1.072 59.081 58.100 -0.151 0.000 1.415 231 Y CB -0.456 37.894 38.460 -0.183 0.000 1.420 231 Y HN 0.729 nan 8.280 nan 0.000 0.484 232 T N -0.777 113.853 114.554 0.126 0.000 2.926 232 T HA 0.270 4.623 4.350 0.004 0.000 0.307 232 T C 1.554 176.282 174.700 0.046 0.000 1.059 232 T CA 0.096 62.229 62.100 0.055 0.000 1.122 232 T CB 1.338 70.226 68.868 0.033 0.000 0.972 232 T HN 0.449 nan 8.240 nan 0.000 0.545 233 G N 1.019 109.837 108.800 0.029 0.000 2.432 233 G HA2 -0.215 3.748 3.960 0.004 0.000 0.219 233 G HA3 -0.215 3.748 3.960 0.004 0.000 0.219 233 G C 1.509 176.428 174.900 0.032 0.000 1.135 233 G CA 0.667 45.786 45.100 0.031 0.000 0.767 233 G HN 0.869 nan 8.290 nan 0.000 0.550 234 R N 0.596 121.111 120.500 0.025 0.000 2.083 234 R HA -0.007 4.336 4.340 0.004 0.000 0.237 234 R C 2.756 179.075 176.300 0.031 0.000 1.137 234 R CA 1.660 57.775 56.100 0.025 0.000 0.951 234 R CB -0.445 29.866 30.300 0.019 0.000 0.851 234 R HN 0.250 nan 8.270 nan 0.000 0.434 235 A N 0.568 123.408 122.820 0.034 0.000 2.015 235 A HA -0.070 4.253 4.320 0.004 0.000 0.219 235 A C 2.098 179.704 177.584 0.037 0.000 1.163 235 A CA 1.124 53.183 52.037 0.037 0.000 0.646 235 A CB -0.341 18.680 19.000 0.034 0.000 0.806 235 A HN 0.391 nan 8.150 nan 0.000 0.448 236 I N -0.470 120.124 120.570 0.041 0.000 2.233 236 I HA -0.206 3.967 4.170 0.004 0.000 0.243 236 I C 2.949 179.094 176.117 0.047 0.000 1.093 236 I CA 0.972 62.302 61.300 0.050 0.000 1.380 236 I CB -0.257 37.788 38.000 0.074 0.000 1.067 236 I HN 0.324 nan 8.210 nan 0.000 0.413 237 A N 1.746 124.594 122.820 0.045 0.000 1.877 237 A HA -0.249 4.074 4.320 0.004 0.000 0.216 237 A C 2.317 179.916 177.584 0.026 0.000 1.186 237 A CA 2.150 54.213 52.037 0.044 0.000 0.620 237 A CB -0.704 18.322 19.000 0.043 0.000 0.822 237 A HN 0.493 nan 8.150 nan 0.000 0.443 238 R N -0.090 120.424 120.500 0.024 0.000 2.096 238 R HA 0.120 4.463 4.340 0.004 0.000 0.235 238 R C 2.157 178.459 176.300 0.004 0.000 1.127 238 R CA 1.485 57.595 56.100 0.016 0.000 0.968 238 R CB -0.820 29.495 30.300 0.026 0.000 0.861 238 R HN 0.320 nan 8.270 nan 0.000 0.440 239 A N 1.300 124.128 122.820 0.014 0.000 1.902 239 A HA -0.045 4.278 4.320 0.004 0.000 0.217 239 A C 2.396 179.967 177.584 -0.022 0.000 1.181 239 A CA 1.533 53.576 52.037 0.010 0.000 0.623 239 A CB -0.490 18.529 19.000 0.032 0.000 0.818 239 A HN 0.168 nan 8.150 nan 0.000 0.443 240 V N -0.499 119.395 119.914 -0.034 0.000 2.453 240 V HA -0.140 3.983 4.120 0.004 0.000 0.247 240 V C 2.515 178.451 176.094 -0.263 0.000 1.048 240 V CA 1.880 64.120 62.300 -0.099 0.000 1.049 240 V CB -0.727 31.081 31.823 -0.026 0.000 0.672 240 V HN 0.504 nan 8.190 nan 0.000 0.457 241 R N -1.047 119.343 120.500 -0.183 0.000 2.189 241 R HA -0.096 4.246 4.340 0.004 0.000 0.218 241 R C 2.124 178.344 176.300 -0.133 0.000 1.074 241 R CA 1.370 57.355 56.100 -0.192 0.000 0.991 241 R CB -0.346 29.921 30.300 -0.056 0.000 0.883 241 R HN 0.481 nan 8.270 nan 0.000 0.457 242 C N -1.270 117.976 119.300 -0.090 0.000 2.495 242 C HA 0.212 4.675 4.460 0.004 0.000 0.275 242 C C 1.398 176.348 174.990 -0.067 0.000 1.392 242 C CA 0.766 59.748 59.018 -0.060 0.000 1.766 242 C CB 0.008 27.727 27.740 -0.034 0.000 1.933 242 C HN 0.773 nan 8.230 nan 0.000 0.519 243 G N 0.563 109.307 108.800 -0.092 0.000 2.155 243 G HA2 -0.092 3.870 3.960 0.004 0.000 0.135 243 G HA3 -0.092 3.870 3.960 0.004 0.000 0.135 243 G C 0.008 174.897 174.900 -0.018 0.000 1.023 243 G CA 0.134 45.189 45.100 -0.075 0.000 0.688 243 G HN 0.875 nan 8.290 nan 0.000 0.499 244 V N -1.481 118.429 119.914 -0.006 0.000 2.811 244 V HA 0.685 4.807 4.120 0.004 0.000 0.302 244 V C 1.502 177.639 176.094 0.072 0.000 1.063 244 V CA 0.574 62.903 62.300 0.048 0.000 1.088 244 V CB 1.494 33.349 31.823 0.054 0.000 0.982 244 V HN 0.399 nan 8.190 nan 0.000 0.485 245 R N 2.314 122.893 120.500 0.133 0.000 2.075 245 R HA 0.115 4.457 4.340 0.004 0.000 0.220 245 R C 0.919 177.312 176.300 0.154 0.000 1.118 245 R CA 1.181 57.355 56.100 0.124 0.000 0.986 245 R CB -0.024 30.312 30.300 0.060 0.000 0.884 245 R HN 0.999 nan 8.270 nan 0.000 0.439 246 T N -0.843 113.804 114.554 0.154 0.000 2.792 246 T HA 0.440 4.792 4.350 0.004 0.000 0.280 246 T C -0.158 174.610 174.700 0.112 0.000 0.990 246 T CA -0.903 61.282 62.100 0.141 0.000 0.960 246 T CB 1.462 70.383 68.868 0.088 0.000 0.939 246 T HN -0.078 nan 8.240 nan 0.000 0.439 247 I N 3.760 124.373 120.570 0.072 0.000 2.325 247 I HA 0.292 4.465 4.170 0.004 0.000 0.291 247 I C 0.513 176.628 176.117 -0.003 0.000 1.019 247 I CA -0.510 60.816 61.300 0.043 0.000 1.302 247 I CB 1.103 39.124 38.000 0.034 0.000 1.401 247 I HN 0.736 nan 8.210 nan 0.000 0.485 248 E N 6.773 126.977 120.200 0.007 0.000 2.349 248 E HA 0.248 4.600 4.350 0.004 0.000 0.265 248 E C 0.680 177.200 176.600 -0.133 0.000 1.064 248 E CA -0.255 56.058 56.400 -0.145 0.000 0.886 248 E CB 0.757 30.406 29.700 -0.085 0.000 1.036 248 E HN 0.514 nan 8.360 nan 0.000 0.413 249 H N 1.220 120.181 119.070 -0.182 0.000 1.452 249 H HA -0.306 4.253 4.556 0.005 0.000 0.090 249 H C 0.858 176.203 175.328 0.028 0.000 0.620 249 H CA 1.397 57.410 56.048 -0.058 0.000 1.901 249 H CB -1.384 28.308 29.762 -0.117 0.000 2.257 249 H HN 0.893 nan 8.280 nan 0.000 0.961 250 G N 1.258 110.200 108.800 0.237 0.000 2.255 250 G HA2 -0.241 3.722 3.960 0.004 0.000 0.239 250 G HA3 -0.241 3.722 3.960 0.004 0.000 0.239 250 G C 0.397 175.462 174.900 0.275 0.000 1.083 250 G CA 0.769 46.021 45.100 0.254 0.000 0.826 250 G HN 0.567 nan 8.290 nan 0.000 0.493 251 N N -0.301 118.557 118.700 0.263 0.000 2.331 251 N HA 0.059 4.802 4.740 0.004 0.000 0.180 251 N C 1.360 176.862 175.510 -0.014 0.000 1.019 251 N CA 0.946 54.042 53.050 0.077 0.000 0.881 251 N CB 0.000 38.431 38.487 -0.093 0.000 0.972 251 N HN 0.584 nan 8.380 nan 0.000 0.435 252 L N 1.379 122.609 121.223 0.013 0.000 2.719 252 L HA 0.364 4.707 4.340 0.004 0.000 0.236 252 L C -0.649 176.208 176.870 -0.022 0.000 1.221 252 L CA -0.644 54.175 54.840 -0.035 0.000 1.048 252 L CB 0.289 42.318 42.059 -0.050 0.000 1.364 252 L HN -0.150 nan 8.230 nan 0.000 0.447 253 V N -2.014 117.865 119.914 -0.059 0.000 2.567 253 V HA 0.450 4.573 4.120 0.004 0.000 0.289 253 V C -0.089 175.943 176.094 -0.103 0.000 1.049 253 V CA -0.860 61.390 62.300 -0.083 0.000 0.969 253 V CB 1.347 33.053 31.823 -0.194 0.000 0.995 253 V HN 0.507 nan 8.190 nan 0.000 0.471 254 D N 2.269 122.628 120.400 -0.068 0.000 2.437 254 D HA 0.340 4.983 4.640 0.004 0.000 0.259 254 D C 0.889 177.147 176.300 -0.070 0.000 1.118 254 D CA -0.640 53.321 54.000 -0.066 0.000 1.017 254 D CB 0.813 41.590 40.800 -0.037 0.000 1.120 254 D HN 0.588 nan 8.370 nan 0.000 0.541 255 E N 0.183 120.346 120.200 -0.061 0.000 2.285 255 E HA -0.132 4.221 4.350 0.004 0.000 0.194 255 E C 1.760 178.349 176.600 -0.018 0.000 0.997 255 E CA 0.775 57.143 56.400 -0.053 0.000 0.845 255 E CB -0.512 29.156 29.700 -0.052 0.000 0.782 255 E HN 0.496 nan 8.360 nan 0.000 0.491 256 A N 2.165 124.980 122.820 -0.008 0.000 1.873 256 A HA 0.053 4.376 4.320 0.004 0.000 0.215 256 A C 2.520 180.123 177.584 0.032 0.000 1.186 256 A CA 2.033 54.076 52.037 0.010 0.000 0.616 256 A CB -0.678 18.326 19.000 0.008 0.000 0.823 256 A HN 0.353 nan 8.150 nan 0.000 0.442 257 A N -0.347 122.492 122.820 0.033 0.000 1.969 257 A HA 0.238 4.561 4.320 0.004 0.000 0.218 257 A C 2.426 180.064 177.584 0.091 0.000 1.169 257 A CA 1.819 53.892 52.037 0.061 0.000 0.635 257 A CB -0.806 18.226 19.000 0.054 0.000 0.810 257 A HN 0.978 nan 8.150 nan 0.000 0.445 258 A N -0.317 122.546 122.820 0.072 0.000 1.930 258 A HA -0.107 4.216 4.320 0.004 0.000 0.217 258 A C 2.145 179.797 177.584 0.114 0.000 1.175 258 A CA 1.723 53.828 52.037 0.114 0.000 0.627 258 A CB -0.380 18.639 19.000 0.030 0.000 0.815 258 A HN 0.455 nan 8.150 nan 0.000 0.443 259 K N -0.630 119.814 120.400 0.073 0.000 2.057 259 K HA -0.119 4.204 4.320 0.004 0.000 0.207 259 K C 1.927 178.585 176.600 0.097 0.000 1.049 259 K CA 1.537 57.873 56.287 0.081 0.000 0.931 259 K CB -0.305 32.220 32.500 0.042 0.000 0.714 259 K HN 0.372 nan 8.250 nan 0.000 0.440 260 L N 1.188 122.462 121.223 0.085 0.000 2.083 260 L HA -0.133 4.210 4.340 0.004 0.000 0.209 260 L C 2.309 179.275 176.870 0.160 0.000 1.083 260 L CA 1.421 56.321 54.840 0.099 0.000 0.752 260 L CB -0.162 41.983 42.059 0.144 0.000 0.899 260 L HN 0.234 nan 8.230 nan 0.000 0.433 261 M N -1.811 117.881 119.600 0.153 0.000 2.175 261 M HA -0.221 4.262 4.480 0.004 0.000 0.264 261 M C 2.302 178.646 176.300 0.073 0.000 1.063 261 M CA 1.720 57.099 55.300 0.132 0.000 1.119 261 M CB -0.556 32.119 32.600 0.125 0.000 1.377 261 M HN 0.433 nan 8.290 nan 0.000 0.415 262 H N 0.527 119.593 119.070 -0.008 0.000 2.353 262 H HA -0.100 4.459 4.556 0.005 0.000 0.300 262 H C 1.720 176.999 175.328 -0.083 0.000 1.090 262 H CA 2.061 58.077 56.048 -0.054 0.000 1.327 262 H CB 0.041 29.781 29.762 -0.035 0.000 1.383 262 H HN 0.391 nan 8.280 nan 0.000 0.508 263 E N -0.720 119.320 120.200 -0.266 0.000 2.047 263 E HA -0.178 4.174 4.350 0.004 0.000 0.191 263 E C 1.845 178.241 176.600 -0.340 0.000 0.987 263 E CA 1.311 57.487 56.400 -0.374 0.000 0.799 263 E CB -0.135 29.364 29.700 -0.335 0.000 0.752 263 E HN 0.741 nan 8.360 nan 0.000 0.449 264 H N -1.005 117.992 119.070 -0.121 0.000 2.559 264 H HA 0.078 4.636 4.556 0.004 0.000 0.273 264 H C 1.030 176.283 175.328 -0.125 0.000 1.000 264 H CA 0.443 56.435 56.048 -0.093 0.000 1.195 264 H CB 0.353 30.087 29.762 -0.048 0.000 1.368 264 H HN 0.341 nan 8.280 nan 0.000 0.592 265 G N 0.208 108.942 108.800 -0.109 0.000 2.182 265 G HA2 -0.262 3.701 3.960 0.004 0.000 0.248 265 G HA3 -0.262 3.701 3.960 0.004 0.000 0.248 265 G C 0.146 174.887 174.900 -0.265 0.000 1.042 265 G CA 0.100 45.068 45.100 -0.219 0.000 0.775 265 G HN 0.641 nan 8.290 nan 0.000 0.501 266 A N -0.096 122.638 122.820 -0.143 0.000 2.302 266 A HA 0.752 5.075 4.320 0.004 0.000 0.295 266 A C 0.316 177.813 177.584 -0.144 0.000 1.235 266 A CA -0.393 51.603 52.037 -0.069 0.000 0.876 266 A CB 0.226 19.243 19.000 0.030 0.000 1.133 266 A HN 0.505 nan 8.150 nan 0.000 0.533 267 F N 1.543 121.460 119.950 -0.055 0.000 2.440 267 F HA 0.429 4.959 4.527 0.004 0.000 0.323 267 F C 0.609 176.337 175.800 -0.120 0.000 1.192 267 F CA 0.198 58.147 58.000 -0.086 0.000 1.252 267 F CB 1.000 39.938 39.000 -0.104 0.000 1.214 267 F HN 0.271 nan 8.300 nan 0.000 0.578 268 V N 1.683 121.609 119.914 0.019 0.000 2.709 268 V HA 0.426 4.549 4.120 0.004 0.000 0.308 268 V C -0.946 175.067 176.094 -0.135 0.000 1.062 268 V CA -0.840 61.354 62.300 -0.178 0.000 0.901 268 V CB 1.979 33.432 31.823 -0.616 0.000 1.003 268 V HN 0.439 nan 8.190 nan 0.000 0.425 269 V N 6.405 126.236 119.914 -0.137 0.000 2.305 269 V HA 0.368 4.491 4.120 0.004 0.000 0.275 269 V C -2.499 173.460 176.094 -0.225 0.000 1.020 269 V CA -1.719 60.492 62.300 -0.149 0.000 0.811 269 V CB 1.418 33.183 31.823 -0.096 0.000 1.031 269 V HN 0.712 nan 8.190 nan 0.000 0.439 270 P HA 0.343 nan 4.420 nan 0.000 0.277 270 P C 0.277 177.475 177.300 -0.169 0.000 1.240 270 P CA -0.108 62.926 63.100 -0.110 0.000 0.798 270 P CB 0.677 32.364 31.700 -0.022 0.000 0.979 271 T N -1.933 112.588 114.554 -0.055 0.000 3.584 271 T HA 0.287 4.640 4.350 0.004 0.000 0.259 271 T C 0.922 175.669 174.700 0.078 0.000 1.009 271 T CA -0.393 61.642 62.100 -0.107 0.000 1.103 271 T CB -1.170 67.552 68.868 -0.244 0.000 1.099 271 T HN 0.075 nan 8.240 nan 0.000 0.539 272 L N -0.131 121.161 121.223 0.114 0.000 2.191 272 L HA 0.027 4.370 4.340 0.004 0.000 0.212 272 L C 2.604 179.577 176.870 0.171 0.000 1.103 272 L CA 0.533 55.527 54.840 0.256 0.000 0.769 272 L CB -0.559 41.571 42.059 0.118 0.000 0.908 272 L HN 0.361 nan 8.230 nan 0.000 0.438 273 V N -0.694 119.229 119.914 0.015 0.000 2.809 273 V HA -0.232 3.890 4.120 0.004 0.000 0.256 273 V C 2.521 178.599 176.094 -0.028 0.000 1.080 273 V CA 2.190 64.494 62.300 0.006 0.000 1.102 273 V CB 0.054 31.887 31.823 0.017 0.000 0.705 273 V HN 0.509 nan 8.190 nan 0.000 0.475 274 T N -1.294 113.181 114.554 -0.132 0.000 2.995 274 T HA -0.114 4.239 4.350 0.004 0.000 0.269 274 T C 1.493 176.065 174.700 -0.213 0.000 1.091 274 T CA 1.489 63.467 62.100 -0.203 0.000 1.128 274 T CB -0.208 68.487 68.868 -0.289 0.000 0.891 274 T HN 0.670 nan 8.240 nan 0.000 0.492 275 Y N 1.229 121.552 120.300 0.038 0.000 2.286 275 Y HA 0.100 4.653 4.550 0.004 0.000 0.293 275 Y C 2.384 178.272 175.900 -0.021 0.000 1.124 275 Y CA 0.629 58.742 58.100 0.021 0.000 1.178 275 Y CB -0.320 38.151 38.460 0.018 0.000 1.010 275 Y HN 0.208 nan 8.280 nan 0.000 0.536 276 D N -0.005 120.456 120.400 0.102 0.000 2.144 276 D HA -0.113 4.530 4.640 0.004 0.000 0.200 276 D C 2.224 178.475 176.300 -0.082 0.000 0.978 276 D CA 1.341 55.340 54.000 -0.003 0.000 0.833 276 D CB -0.487 40.301 40.800 -0.020 0.000 0.961 276 D HN 0.311 nan 8.370 nan 0.000 0.470 277 A N 0.274 123.042 122.820 -0.086 0.000 2.015 277 A HA -0.039 4.283 4.320 0.004 0.000 0.219 277 A C 2.150 179.753 177.584 0.030 0.000 1.163 277 A CA 0.707 52.703 52.037 -0.068 0.000 0.646 277 A CB -0.500 18.467 19.000 -0.055 0.000 0.806 277 A HN 0.219 nan 8.150 nan 0.000 0.448 278 L N -1.320 119.914 121.223 0.018 0.000 2.509 278 L HA 0.065 4.408 4.340 0.004 0.000 0.222 278 L C 2.716 179.573 176.870 -0.023 0.000 1.123 278 L CA 0.524 55.381 54.840 0.029 0.000 0.856 278 L CB -0.199 41.896 42.059 0.060 0.000 0.985 278 L HN 0.407 nan 8.230 nan 0.000 0.456 279 A N 0.284 123.072 122.820 -0.054 0.000 1.968 279 A HA -0.124 4.199 4.320 0.004 0.000 0.217 279 A C 2.176 179.658 177.584 -0.170 0.000 1.169 279 A CA 1.353 53.340 52.037 -0.083 0.000 0.638 279 A CB -0.002 18.959 19.000 -0.065 0.000 0.812 279 A HN 0.232 nan 8.150 nan 0.000 0.446 280 K N -1.077 119.136 120.400 -0.312 0.000 2.225 280 K HA 0.138 4.461 4.320 0.004 0.000 0.204 280 K C 0.712 176.980 176.600 -0.553 0.000 1.047 280 K CA 0.942 56.911 56.287 -0.530 0.000 0.970 280 K CB 0.098 32.057 32.500 -0.902 0.000 0.939 280 K HN 0.512 nan 8.250 nan 0.000 0.472 281 H N -0.297 118.675 119.070 -0.163 0.000 2.577 281 H HA 0.316 4.875 4.556 0.004 0.000 0.306 281 H C 1.027 176.247 175.328 -0.180 0.000 1.109 281 H CA 0.188 56.056 56.048 -0.300 0.000 1.063 281 H CB 0.280 29.791 29.762 -0.418 0.000 1.535 281 H HN 0.289 nan 8.280 nan 0.000 0.532 282 G N 1.032 109.803 108.800 -0.048 0.000 2.547 282 G HA2 -0.122 3.841 3.960 0.004 0.000 0.214 282 G HA3 -0.122 3.841 3.960 0.004 0.000 0.214 282 G C 1.662 176.571 174.900 0.014 0.000 1.254 282 G CA 0.749 45.857 45.100 0.012 0.000 0.817 282 G HN 0.440 nan 8.290 nan 0.000 0.551 283 A N 0.115 122.926 122.820 -0.016 0.000 2.209 283 A HA 0.133 4.455 4.320 0.004 0.000 0.212 283 A C 2.014 179.586 177.584 -0.021 0.000 1.158 283 A CA 1.741 53.773 52.037 -0.007 0.000 0.742 283 A CB -0.318 18.674 19.000 -0.014 0.000 0.790 283 A HN 0.566 nan 8.150 nan 0.000 0.472 284 E N -0.725 119.426 120.200 -0.082 0.000 2.028 284 E HA -0.131 4.222 4.350 0.004 0.000 0.190 284 E C 0.454 177.006 176.600 -0.080 0.000 0.984 284 E CA 1.002 57.305 56.400 -0.163 0.000 0.800 284 E CB -0.141 29.346 29.700 -0.355 0.000 0.758 284 E HN 0.532 nan 8.360 nan 0.000 0.448 285 F N -0.247 119.746 119.950 0.072 0.000 2.693 285 F HA 0.314 4.844 4.527 0.005 0.000 0.303 285 F C 1.375 177.192 175.800 0.028 0.000 1.143 285 F CA 0.662 58.693 58.000 0.052 0.000 1.389 285 F CB 0.645 39.682 39.000 0.062 0.000 1.060 285 F HN 0.279 nan 8.300 nan 0.000 0.535 286 G N 0.226 109.126 108.800 0.166 0.000 2.159 286 G HA2 -0.314 3.649 3.960 0.004 0.000 0.227 286 G HA3 -0.314 3.649 3.960 0.004 0.000 0.227 286 G C 0.456 175.393 174.900 0.062 0.000 0.986 286 G CA 0.042 45.198 45.100 0.094 0.000 0.651 286 G HN 0.341 nan 8.290 nan 0.000 0.523 287 M N 2.458 122.102 119.600 0.073 0.000 2.243 287 M HA 0.489 4.971 4.480 0.004 0.000 0.341 287 M C -1.629 174.690 176.300 0.032 0.000 1.130 287 M CA -1.316 54.011 55.300 0.046 0.000 1.162 287 M CB 0.532 33.169 32.600 0.062 0.000 1.497 287 M HN 0.030 nan 8.290 nan 0.000 0.456 288 P HA 0.132 nan 4.420 nan 0.000 0.268 288 P C -2.528 174.788 177.300 0.026 0.000 1.205 288 P CA -1.070 62.044 63.100 0.023 0.000 0.771 288 P CB -0.150 31.565 31.700 0.025 0.000 0.858 289 P HA -0.177 nan 4.420 nan 0.000 0.216 289 P C 1.470 178.781 177.300 0.019 0.000 1.153 289 P CA 1.579 64.689 63.100 0.016 0.000 0.848 289 P CB -0.128 31.578 31.700 0.011 0.000 0.787 290 E N -0.057 120.157 120.200 0.024 0.000 2.110 290 E HA -0.120 4.233 4.350 0.004 0.000 0.193 290 E C 1.874 178.496 176.600 0.036 0.000 0.988 290 E CA 1.288 57.705 56.400 0.027 0.000 0.804 290 E CB -1.407 28.312 29.700 0.032 0.000 0.745 290 E HN 0.138 nan 8.360 nan 0.000 0.458 291 S N 0.866 116.595 115.700 0.049 0.000 2.383 291 S HA -0.095 4.378 4.470 0.004 0.000 0.229 291 S C 2.191 176.827 174.600 0.060 0.000 1.030 291 S CA 1.301 59.542 58.200 0.069 0.000 1.002 291 S CB -0.225 63.022 63.200 0.079 0.000 0.829 291 S HN 0.203 nan 8.310 nan 0.000 0.467 292 V N 1.813 121.751 119.914 0.041 0.000 2.515 292 V HA -0.123 4.000 4.120 0.004 0.000 0.250 292 V C 2.566 178.669 176.094 0.015 0.000 1.058 292 V CA 1.422 63.739 62.300 0.028 0.000 1.064 292 V CB -1.275 30.555 31.823 0.012 0.000 0.675 292 V HN 0.517 nan 8.190 nan 0.000 0.461 293 A N -0.265 122.562 122.820 0.011 0.000 1.978 293 A HA -0.220 4.102 4.320 0.004 0.000 0.220 293 A C 2.291 179.870 177.584 -0.008 0.000 1.170 293 A CA 1.904 53.941 52.037 -0.001 0.000 0.636 293 A CB -0.365 18.636 19.000 0.001 0.000 0.810 293 A HN 0.536 nan 8.150 nan 0.000 0.448 294 K N -1.199 119.203 120.400 0.004 0.000 2.379 294 K HA 0.198 4.520 4.320 0.004 0.000 0.194 294 K C 1.381 177.965 176.600 -0.027 0.000 1.031 294 K CA 0.332 56.611 56.287 -0.014 0.000 1.037 294 K CB 0.286 32.791 32.500 0.008 0.000 0.824 294 K HN 0.244 nan 8.250 nan 0.000 0.516 295 V N 0.505 120.428 119.914 0.014 0.000 3.235 295 V HA -0.003 4.120 4.120 0.004 0.000 0.259 295 V C 1.775 177.867 176.094 -0.003 0.000 1.133 295 V CA 1.215 63.545 62.300 0.050 0.000 1.128 295 V CB 0.205 32.103 31.823 0.125 0.000 0.757 295 V HN 0.283 nan 8.190 nan 0.000 0.469 296 A N 0.047 122.848 122.820 -0.031 0.000 2.066 296 A HA -0.099 4.223 4.320 0.004 0.000 0.218 296 A C 2.403 179.935 177.584 -0.087 0.000 1.157 296 A CA 1.817 53.825 52.037 -0.049 0.000 0.670 296 A CB -0.342 18.633 19.000 -0.042 0.000 0.804 296 A HN 0.720 nan 8.150 nan 0.000 0.453 297 S N -0.452 115.178 115.700 -0.117 0.000 2.483 297 S HA -0.018 4.454 4.470 0.004 0.000 0.221 297 S C 1.618 176.086 174.600 -0.220 0.000 1.030 297 S CA 0.837 58.950 58.200 -0.145 0.000 0.925 297 S CB -0.770 62.353 63.200 -0.128 0.000 0.795 297 S HN 0.622 nan 8.310 nan 0.000 0.511 298 V N 1.812 121.537 119.914 -0.315 0.000 2.667 298 V HA -0.131 3.992 4.120 0.004 0.000 0.252 298 V C 2.605 178.402 176.094 -0.495 0.000 1.065 298 V CA 1.446 63.449 62.300 -0.495 0.000 1.083 298 V CB -1.668 29.685 31.823 -0.784 0.000 0.692 298 V HN 0.722 nan 8.190 nan 0.000 0.468 299 Q N -0.235 119.336 119.800 -0.382 0.000 2.378 299 Q HA -0.076 4.266 4.340 0.004 0.000 0.205 299 Q C 2.030 177.930 176.000 -0.167 0.000 0.954 299 Q CA 0.713 56.348 55.803 -0.280 0.000 0.901 299 Q CB -0.323 28.342 28.738 -0.122 0.000 0.981 299 Q HN 0.585 nan 8.270 nan 0.000 0.483 300 Q N 1.602 121.308 119.800 -0.156 0.000 1.993 300 Q HA -0.118 4.225 4.340 0.004 0.000 0.202 300 Q C 1.214 177.152 176.000 -0.102 0.000 0.984 300 Q CA 1.512 57.249 55.803 -0.110 0.000 0.837 300 Q CB -0.114 28.561 28.738 -0.104 0.000 0.902 300 Q HN 0.295 nan 8.270 nan 0.000 0.423 301 K N 0.443 120.770 120.400 -0.122 0.000 2.522 301 K HA 0.082 4.404 4.320 0.004 0.000 0.194 301 K C 1.598 178.141 176.600 -0.095 0.000 1.026 301 K CA 0.344 56.569 56.287 -0.103 0.000 1.119 301 K CB -0.264 32.172 32.500 -0.107 0.000 0.856 301 K HN 0.311 nan 8.250 nan 0.000 0.513 302 G N 0.940 109.677 108.800 -0.105 0.000 2.480 302 G HA2 -0.280 3.682 3.960 0.004 0.000 0.216 302 G HA3 -0.280 3.682 3.960 0.004 0.000 0.216 302 G C 1.452 176.342 174.900 -0.017 0.000 1.200 302 G CA 0.513 45.567 45.100 -0.078 0.000 0.782 302 G HN 0.270 nan 8.290 nan 0.000 0.554 303 R N 0.082 120.573 120.500 -0.016 0.000 2.115 303 R HA 0.062 4.405 4.340 0.004 0.000 0.226 303 R C 2.470 178.765 176.300 -0.009 0.000 1.100 303 R CA 1.041 57.143 56.100 0.003 0.000 0.980 303 R CB -0.253 30.048 30.300 0.003 0.000 0.875 303 R HN 0.527 nan 8.270 nan 0.000 0.445 304 E N 0.814 120.994 120.200 -0.034 0.000 2.118 304 E HA -0.204 4.149 4.350 0.004 0.000 0.195 304 E C 1.787 178.336 176.600 -0.085 0.000 0.992 304 E CA 1.761 58.128 56.400 -0.054 0.000 0.804 304 E CB 0.102 29.763 29.700 -0.065 0.000 0.741 304 E HN 0.342 nan 8.360 nan 0.000 0.458 305 S N 0.258 115.900 115.700 -0.096 0.000 2.382 305 S HA -0.174 4.299 4.470 0.004 0.000 0.228 305 S C 1.948 176.427 174.600 -0.202 0.000 1.027 305 S CA 0.881 58.957 58.200 -0.206 0.000 0.991 305 S CB -0.397 62.732 63.200 -0.118 0.000 0.823 305 S HN 0.192 nan 8.310 nan 0.000 0.469 306 L N 2.014 123.259 121.223 0.036 0.000 2.191 306 L HA 0.013 4.355 4.340 0.004 0.000 0.212 306 L C 2.662 179.581 176.870 0.082 0.000 1.103 306 L CA 1.525 56.463 54.840 0.163 0.000 0.769 306 L CB -0.733 41.402 42.059 0.126 0.000 0.908 306 L HN 0.395 nan 8.230 nan 0.000 0.438 307 E N -0.390 119.810 120.200 -0.000 0.000 2.047 307 E HA -0.190 4.163 4.350 0.004 0.000 0.191 307 E C 2.217 178.790 176.600 -0.045 0.000 0.987 307 E CA 1.413 57.803 56.400 -0.016 0.000 0.799 307 E CB -0.168 29.512 29.700 -0.033 0.000 0.752 307 E HN 0.510 nan 8.360 nan 0.000 0.449 308 I N 0.105 120.596 120.570 -0.132 0.000 2.394 308 I HA -0.228 3.945 4.170 0.004 0.000 0.251 308 I C 1.878 177.908 176.117 -0.146 0.000 1.136 308 I CA 0.917 62.109 61.300 -0.180 0.000 1.425 308 I CB -0.365 37.468 38.000 -0.279 0.000 1.079 308 I HN 0.054 nan 8.210 nan 0.000 0.425 309 Y N 1.351 121.643 120.300 -0.013 0.000 2.242 309 Y HA -0.058 4.495 4.550 0.005 0.000 0.291 309 Y C 2.721 178.608 175.900 -0.022 0.000 1.137 309 Y CA 0.813 58.907 58.100 -0.011 0.000 1.181 309 Y CB -0.865 37.597 38.460 0.003 0.000 0.989 309 Y HN 0.096 nan 8.280 nan 0.000 0.527 310 A N 0.022 122.919 122.820 0.129 0.000 1.968 310 A HA -0.132 4.191 4.320 0.004 0.000 0.217 310 A C 2.034 179.622 177.584 0.006 0.000 1.169 310 A CA 1.376 53.448 52.037 0.059 0.000 0.638 310 A CB -0.525 18.506 19.000 0.051 0.000 0.812 310 A HN 0.362 nan 8.150 nan 0.000 0.446 311 N N 0.875 119.569 118.700 -0.011 0.000 2.039 311 N HA -0.094 4.649 4.740 0.004 0.000 0.193 311 N C 1.702 177.168 175.510 -0.073 0.000 1.044 311 N CA 1.855 54.880 53.050 -0.042 0.000 0.847 311 N CB -0.569 37.888 38.487 -0.050 0.000 1.030 311 N HN 0.415 nan 8.380 nan 0.000 0.422 312 A N -0.497 122.281 122.820 -0.070 0.000 2.238 312 A HA 0.381 4.703 4.320 0.004 0.000 0.208 312 A C 1.303 178.726 177.584 -0.268 0.000 1.177 312 A CA 0.888 52.848 52.037 -0.129 0.000 0.804 312 A CB -0.464 18.509 19.000 -0.045 0.000 0.823 312 A HN 0.401 nan 8.150 nan 0.000 0.482 313 G N -1.160 107.545 108.800 -0.159 0.000 2.137 313 G HA2 -0.175 3.788 3.960 0.004 0.000 0.237 313 G HA3 -0.175 3.788 3.960 0.004 0.000 0.237 313 G C 0.035 174.924 174.900 -0.017 0.000 1.002 313 G CA 0.052 45.056 45.100 -0.160 0.000 0.702 313 G HN 0.881 nan 8.290 nan 0.000 0.515 314 V N -0.018 119.924 119.914 0.047 0.000 2.530 314 V HA 0.421 4.544 4.120 0.004 0.000 0.282 314 V C 0.957 177.053 176.094 0.004 0.000 1.048 314 V CA -0.638 61.696 62.300 0.056 0.000 0.997 314 V CB 1.365 33.262 31.823 0.124 0.000 0.987 314 V HN 0.329 nan 8.190 nan 0.000 0.477 315 K N 4.395 124.760 120.400 -0.058 0.000 2.401 315 K HA 0.377 4.700 4.320 0.004 0.000 0.278 315 K C -0.350 176.270 176.600 0.034 0.000 1.018 315 K CA 0.542 56.836 56.287 0.011 0.000 0.981 315 K CB 0.397 32.926 32.500 0.048 0.000 0.933 315 K HN 0.613 nan 8.250 nan 0.000 0.477 316 M N 2.137 121.763 119.600 0.043 0.000 2.181 316 M HA 0.346 4.828 4.480 0.004 0.000 0.323 316 M C 0.217 176.544 176.300 0.045 0.000 1.004 316 M CA -0.607 54.689 55.300 -0.006 0.000 0.941 316 M CB 2.174 34.760 32.600 -0.023 0.000 1.579 316 M HN 0.719 nan 8.290 nan 0.000 0.427 317 G N 1.543 110.359 108.800 0.027 0.000 2.491 317 G HA2 0.597 4.560 3.960 0.004 0.000 0.327 317 G HA3 0.597 4.560 3.960 0.004 0.000 0.327 317 G C -1.605 173.321 174.900 0.043 0.000 1.189 317 G CA -0.499 44.631 45.100 0.051 0.000 0.956 317 G HN 0.593 nan 8.290 nan 0.000 0.491 318 F N 0.802 120.714 119.950 -0.062 0.000 2.438 318 F HA 0.574 5.104 4.527 0.004 0.000 0.356 318 F C 0.560 176.321 175.800 -0.066 0.000 1.099 318 F CA -0.022 57.913 58.000 -0.109 0.000 1.185 318 F CB 1.066 39.980 39.000 -0.144 0.000 1.115 318 F HN 0.506 nan 8.300 nan 0.000 0.526 319 G N 3.138 111.559 108.800 -0.631 0.000 2.719 319 G HA2 0.420 4.382 3.960 0.004 0.000 0.298 319 G HA3 0.420 4.382 3.960 0.004 0.000 0.298 319 G C -0.528 174.042 174.900 -0.550 0.000 1.433 319 G CA -0.124 44.732 45.100 -0.406 0.000 1.034 319 G HN 0.770 nan 8.290 nan 0.000 0.517 320 S N 1.069 116.584 115.700 -0.309 0.000 2.655 320 S HA 0.185 4.658 4.470 0.004 0.000 0.231 320 S C 0.905 175.431 174.600 -0.125 0.000 1.044 320 S CA 1.107 59.174 58.200 -0.221 0.000 0.910 320 S CB 0.083 63.225 63.200 -0.097 0.000 0.833 320 S HN 0.773 nan 8.310 nan 0.000 0.581 321 D N 0.600 120.970 120.400 -0.051 0.000 2.981 321 D HA -0.117 4.526 4.640 0.004 0.000 0.223 321 D C -0.888 175.394 176.300 -0.030 0.000 1.151 321 D CA 0.342 54.352 54.000 0.017 0.000 0.827 321 D CB -2.085 38.763 40.800 0.081 0.000 1.101 321 D HN 0.550 nan 8.370 nan 0.000 0.426 322 L N 0.422 121.574 121.223 -0.119 0.000 2.367 322 L HA 0.354 4.697 4.340 0.004 0.000 0.275 322 L C 0.796 177.424 176.870 -0.402 0.000 1.129 322 L CA -0.346 54.355 54.840 -0.232 0.000 0.839 322 L CB 0.741 42.646 42.059 -0.256 0.000 1.133 322 L HN 0.004 nan 8.230 nan 0.000 0.453 323 L N 3.251 124.353 121.223 -0.201 0.000 2.309 323 L HA 0.746 5.089 4.340 0.004 0.000 0.282 323 L C 0.934 177.734 176.870 -0.116 0.000 1.036 323 L CA -0.361 54.409 54.840 -0.117 0.000 0.806 323 L CB 1.268 43.323 42.059 -0.006 0.000 1.220 323 L HN 0.874 nan 8.230 nan 0.000 0.429 324 G N 2.219 111.000 108.800 -0.033 0.000 2.539 324 G HA2 -0.268 3.694 3.960 0.004 0.000 0.256 324 G HA3 -0.268 3.694 3.960 0.004 0.000 0.256 324 G C 0.613 175.518 174.900 0.009 0.000 1.233 324 G CA 0.272 45.363 45.100 -0.015 0.000 0.936 324 G HN 0.862 nan 8.290 nan 0.000 0.571 325 E N 0.488 120.575 120.200 -0.188 0.000 2.516 325 E HA 0.031 4.384 4.350 0.004 0.000 0.199 325 E C 2.309 178.777 176.600 -0.221 0.000 1.069 325 E CA 1.077 57.337 56.400 -0.235 0.000 0.876 325 E CB -0.194 29.257 29.700 -0.416 0.000 0.843 325 E HN 0.662 nan 8.360 nan 0.000 0.530 326 M N 0.480 120.004 119.600 -0.127 0.000 2.700 326 M HA -0.024 4.459 4.480 0.004 0.000 0.249 326 M C 1.028 177.363 176.300 0.058 0.000 1.082 326 M CA 0.660 56.040 55.300 0.133 0.000 1.077 326 M CB -0.439 32.320 32.600 0.264 0.000 1.477 326 M HN 0.173 nan 8.290 nan 0.000 0.529 327 H N -0.269 118.790 119.070 -0.018 0.000 2.489 327 H HA -0.064 4.494 4.556 0.004 0.000 0.293 327 H C 2.149 177.429 175.328 -0.079 0.000 1.066 327 H CA 1.296 57.327 56.048 -0.028 0.000 1.305 327 H CB 0.067 29.797 29.762 -0.052 0.000 1.386 327 H HN 0.473 nan 8.280 nan 0.000 0.551 328 A N 0.666 123.403 122.820 -0.138 0.000 1.917 328 A HA -0.204 4.118 4.320 0.004 0.000 0.219 328 A C 1.311 178.733 177.584 -0.271 0.000 1.182 328 A CA 1.396 53.237 52.037 -0.327 0.000 0.633 328 A CB -0.901 17.705 19.000 -0.658 0.000 0.819 328 A HN 0.415 nan 8.150 nan 0.000 0.448 329 F N 0.131 120.135 119.950 0.091 0.000 2.697 329 F HA 0.132 4.662 4.527 0.004 0.000 0.297 329 F C 1.939 177.820 175.800 0.135 0.000 1.203 329 F CA 0.422 58.487 58.000 0.108 0.000 1.421 329 F CB -0.311 38.748 39.000 0.098 0.000 1.033 329 F HN 0.365 nan 8.300 nan 0.000 0.512 330 Q N 0.181 120.135 119.800 0.256 0.000 2.119 330 Q HA -0.135 4.207 4.340 0.004 0.000 0.201 330 Q C 1.968 178.242 176.000 0.456 0.000 0.972 330 Q CA 1.596 57.562 55.803 0.272 0.000 0.847 330 Q CB 0.069 28.911 28.738 0.174 0.000 0.903 330 Q HN 0.344 nan 8.270 nan 0.000 0.433 331 S N -0.299 115.673 115.700 0.453 0.000 2.481 331 S HA -0.015 4.458 4.470 0.004 0.000 0.231 331 S C 1.606 176.503 174.600 0.495 0.000 0.996 331 S CA 0.641 59.155 58.200 0.524 0.000 0.942 331 S CB 0.002 63.391 63.200 0.316 0.000 0.768 331 S HN 0.609 nan 8.310 nan 0.000 0.520 332 G N 1.367 110.395 108.800 0.381 0.000 2.509 332 G HA2 -0.194 3.769 3.960 0.004 0.000 0.218 332 G HA3 -0.194 3.769 3.960 0.004 0.000 0.218 332 G C 1.210 176.270 174.900 0.267 0.000 1.124 332 G CA 0.806 46.089 45.100 0.305 0.000 0.776 332 G HN 0.520 nan 8.290 nan 0.000 0.547 333 E N 0.246 120.606 120.200 0.266 0.000 2.106 333 E HA -0.086 4.267 4.350 0.004 0.000 0.192 333 E C 1.874 178.585 176.600 0.185 0.000 0.984 333 E CA 0.609 57.064 56.400 0.093 0.000 0.806 333 E CB -0.432 29.102 29.700 -0.277 0.000 0.750 333 E HN 0.395 nan 8.360 nan 0.000 0.458 334 F N 0.762 120.930 119.950 0.364 0.000 2.091 334 F HA -0.183 4.346 4.527 0.004 0.000 0.299 334 F C 2.604 178.482 175.800 0.131 0.000 1.103 334 F CA 1.851 59.991 58.000 0.233 0.000 1.228 334 F CB -0.337 38.715 39.000 0.087 0.000 0.984 334 F HN 0.029 nan 8.300 nan 0.000 0.477 335 R N 0.280 120.972 120.500 0.319 0.000 2.075 335 R HA -0.136 4.207 4.340 0.004 0.000 0.232 335 R C 2.161 178.547 176.300 0.144 0.000 1.126 335 R CA 1.603 57.821 56.100 0.196 0.000 0.963 335 R CB -0.381 30.018 30.300 0.165 0.000 0.858 335 R HN 0.302 nan 8.270 nan 0.000 0.435 336 I N -0.260 120.388 120.570 0.130 0.000 2.353 336 I HA -0.199 3.974 4.170 0.004 0.000 0.248 336 I C 2.404 178.568 176.117 0.078 0.000 1.119 336 I CA 1.022 62.374 61.300 0.086 0.000 1.417 336 I CB -0.232 37.807 38.000 0.066 0.000 1.078 336 I HN 0.072 nan 8.210 nan 0.000 0.421 337 R N 0.977 121.530 120.500 0.089 0.000 2.092 337 R HA -0.055 4.288 4.340 0.004 0.000 0.231 337 R C 2.469 178.828 176.300 0.098 0.000 1.119 337 R CA 1.401 57.549 56.100 0.081 0.000 0.970 337 R CB -0.380 29.964 30.300 0.073 0.000 0.864 337 R HN 0.364 nan 8.270 nan 0.000 0.440 338 A N 1.178 124.074 122.820 0.125 0.000 1.969 338 A HA -0.163 4.160 4.320 0.004 0.000 0.218 338 A C 1.800 179.432 177.584 0.081 0.000 1.169 338 A CA 1.173 53.277 52.037 0.112 0.000 0.635 338 A CB -0.244 18.833 19.000 0.129 0.000 0.810 338 A HN 0.300 nan 8.150 nan 0.000 0.445 339 E N -0.666 119.579 120.200 0.075 0.000 2.204 339 E HA -0.107 4.246 4.350 0.004 0.000 0.195 339 E C 1.665 178.292 176.600 0.045 0.000 0.990 339 E CA 1.342 57.776 56.400 0.056 0.000 0.821 339 E CB -0.032 29.699 29.700 0.052 0.000 0.750 339 E HN 0.478 nan 8.360 nan 0.000 0.477 340 V N -0.124 119.819 119.914 0.049 0.000 2.908 340 V HA -0.023 4.099 4.120 0.004 0.000 0.240 340 V C 1.673 177.793 176.094 0.044 0.000 1.117 340 V CA 0.676 63.000 62.300 0.040 0.000 1.133 340 V CB 0.111 31.957 31.823 0.038 0.000 0.857 340 V HN 0.184 nan 8.190 nan 0.000 0.478 341 L N 0.303 121.559 121.223 0.055 0.000 2.616 341 L HA 0.599 4.942 4.340 0.004 0.000 0.229 341 L C 1.052 177.958 176.870 0.059 0.000 1.110 341 L CA 0.605 55.479 54.840 0.057 0.000 0.884 341 L CB -0.316 41.783 42.059 0.067 0.000 1.115 341 L HN 0.473 nan 8.230 nan 0.000 0.481 342 G N 2.026 110.863 108.800 0.062 0.000 2.758 342 G HA2 -0.249 3.714 3.960 0.004 0.000 0.686 342 G HA3 -0.249 3.714 3.960 0.004 0.000 0.686 342 G C 0.091 175.041 174.900 0.083 0.000 1.389 342 G CA -0.056 45.081 45.100 0.063 0.000 0.845 342 G HN 0.488 nan 8.290 nan 0.000 0.572 343 N N 0.052 118.801 118.700 0.082 0.000 2.276 343 N HA 0.077 4.820 4.740 0.004 0.000 0.212 343 N C 1.690 177.257 175.510 0.095 0.000 1.127 343 N CA 0.063 53.175 53.050 0.104 0.000 0.834 343 N CB 0.750 39.294 38.487 0.094 0.000 1.014 343 N HN 0.488 nan 8.380 nan 0.000 0.491 344 L N 0.256 121.527 121.223 0.079 0.000 2.221 344 L HA 0.054 4.396 4.340 0.004 0.000 0.202 344 L C 2.312 179.235 176.870 0.088 0.000 1.074 344 L CA 0.990 55.874 54.840 0.073 0.000 0.795 344 L CB 0.116 42.206 42.059 0.052 0.000 0.960 344 L HN 0.045 nan 8.230 nan 0.000 0.458 345 E N 0.284 120.536 120.200 0.086 0.000 2.107 345 E HA -0.118 4.234 4.350 0.004 0.000 0.191 345 E C 2.003 178.671 176.600 0.113 0.000 0.982 345 E CA 1.333 57.787 56.400 0.089 0.000 0.809 345 E CB -0.021 29.724 29.700 0.074 0.000 0.756 345 E HN 0.445 nan 8.360 nan 0.000 0.459 346 A N 0.228 123.129 122.820 0.135 0.000 1.972 346 A HA -0.117 4.206 4.320 0.004 0.000 0.219 346 A C 2.171 179.908 177.584 0.255 0.000 1.169 346 A CA 1.093 53.236 52.037 0.177 0.000 0.635 346 A CB -0.549 18.581 19.000 0.216 0.000 0.810 346 A HN 0.321 nan 8.150 nan 0.000 0.446 347 L N -1.491 119.893 121.223 0.269 0.000 2.240 347 L HA -0.049 4.294 4.340 0.004 0.000 0.211 347 L C 2.725 179.734 176.870 0.232 0.000 1.106 347 L CA 0.645 55.678 54.840 0.323 0.000 0.793 347 L CB -0.319 41.868 42.059 0.213 0.000 0.927 347 L HN 0.344 nan 8.230 nan 0.000 0.446 348 R N -0.609 119.987 120.500 0.161 0.000 2.148 348 R HA -0.085 4.258 4.340 0.004 0.000 0.227 348 R C 2.402 178.778 176.300 0.125 0.000 1.103 348 R CA 1.196 57.372 56.100 0.127 0.000 0.983 348 R CB -0.167 30.193 30.300 0.100 0.000 0.874 348 R HN 0.275 nan 8.270 nan 0.000 0.451 349 S N 0.627 116.402 115.700 0.125 0.000 2.400 349 S HA -0.148 4.324 4.470 0.004 0.000 0.232 349 S C 1.629 176.314 174.600 0.141 0.000 1.025 349 S CA 1.471 59.744 58.200 0.122 0.000 0.993 349 S CB 0.062 63.334 63.200 0.120 0.000 0.808 349 S HN 0.452 nan 8.310 nan 0.000 0.478 350 A N 0.558 123.444 122.820 0.109 0.000 2.535 350 A HA 0.412 4.735 4.320 0.004 0.000 0.273 350 A C 1.437 179.142 177.584 0.200 0.000 1.267 350 A CA 0.463 52.566 52.037 0.110 0.000 0.940 350 A CB -0.068 18.836 19.000 -0.160 0.000 1.101 350 A HN 0.522 nan 8.150 nan 0.000 0.521 351 T N -4.320 110.333 114.554 0.164 0.000 3.349 351 T HA 0.038 4.391 4.350 0.004 0.000 0.169 351 T C 1.834 176.587 174.700 0.088 0.000 0.938 351 T CA 1.112 63.291 62.100 0.132 0.000 1.017 351 T CB -0.836 68.109 68.868 0.128 0.000 1.476 351 T HN 0.227 nan 8.240 nan 0.000 0.327 352 T N 1.248 115.850 114.554 0.080 0.000 2.857 352 T HA 0.027 4.380 4.350 0.004 0.000 0.266 352 T C 2.067 176.804 174.700 0.062 0.000 1.048 352 T CA 1.199 63.336 62.100 0.062 0.000 1.139 352 T CB -0.975 67.929 68.868 0.060 0.000 0.874 352 T HN 0.201 nan 8.240 nan 0.000 0.455 353 V N 2.073 122.035 119.914 0.080 0.000 2.379 353 V HA 0.048 4.171 4.120 0.004 0.000 0.245 353 V C 3.217 179.318 176.094 0.012 0.000 1.044 353 V CA 1.359 63.714 62.300 0.093 0.000 1.036 353 V CB -1.351 30.546 31.823 0.124 0.000 0.664 353 V HN 0.635 nan 8.190 nan 0.000 0.453 354 A N 0.183 123.017 122.820 0.024 0.000 1.930 354 A HA -0.027 4.295 4.320 0.004 0.000 0.217 354 A C 2.385 179.929 177.584 -0.066 0.000 1.175 354 A CA 1.827 53.858 52.037 -0.009 0.000 0.627 354 A CB -0.637 18.413 19.000 0.084 0.000 0.815 354 A HN 0.546 nan 8.150 nan 0.000 0.443 355 A N -0.526 122.276 122.820 -0.031 0.000 1.969 355 A HA -0.131 4.192 4.320 0.004 0.000 0.218 355 A C 1.982 179.498 177.584 -0.114 0.000 1.169 355 A CA 1.609 53.615 52.037 -0.051 0.000 0.635 355 A CB -0.416 18.584 19.000 -0.001 0.000 0.810 355 A HN 0.644 nan 8.150 nan 0.000 0.445 356 E N -0.215 119.912 120.200 -0.122 0.000 2.106 356 E HA -0.125 4.228 4.350 0.004 0.000 0.192 356 E C 1.810 178.155 176.600 -0.425 0.000 0.984 356 E CA 0.912 57.213 56.400 -0.165 0.000 0.806 356 E CB -0.164 29.526 29.700 -0.018 0.000 0.750 356 E HN 0.691 nan 8.360 nan 0.000 0.458 357 I N 0.792 121.004 120.570 -0.597 0.000 2.142 357 I HA -0.228 3.944 4.170 0.004 0.000 0.240 357 I C 2.393 178.205 176.117 -0.509 0.000 1.078 357 I CA 1.105 61.931 61.300 -0.791 0.000 1.343 357 I CB -0.239 37.398 38.000 -0.606 0.000 1.046 357 I HN 0.131 nan 8.210 nan 0.000 0.405 358 V N -1.463 118.245 119.914 -0.344 0.000 3.510 358 V HA 0.068 4.191 4.120 0.004 0.000 0.270 358 V C 0.454 176.361 176.094 -0.311 0.000 1.201 358 V CA 0.691 62.765 62.300 -0.376 0.000 1.166 358 V CB -1.707 29.718 31.823 -0.663 0.000 0.825 358 V HN 0.682 nan 8.190 nan 0.000 0.484 359 N N 0.280 118.839 118.700 -0.234 0.000 2.735 359 N HA -0.156 4.586 4.740 0.004 0.000 0.248 359 N C 0.176 175.629 175.510 -0.094 0.000 1.083 359 N CA 1.042 54.011 53.050 -0.135 0.000 0.703 359 N CB -0.729 37.719 38.487 -0.065 0.000 1.005 359 N HN 0.479 nan 8.380 nan 0.000 0.550 360 M N 0.472 120.011 119.600 -0.103 0.000 3.004 360 M HA 0.085 4.567 4.480 0.004 0.000 0.365 360 M C 0.107 176.397 176.300 -0.016 0.000 1.317 360 M CA -0.119 55.159 55.300 -0.036 0.000 0.821 360 M CB 0.336 32.931 32.600 -0.008 0.000 1.387 360 M HN 0.157 nan 8.290 nan 0.000 0.501 361 Q N 0.177 119.964 119.800 -0.023 0.000 2.332 361 Q HA 0.420 4.762 4.340 0.004 0.000 0.263 361 Q C 0.787 176.793 176.000 0.009 0.000 0.979 361 Q CA 0.990 56.791 55.803 -0.004 0.000 0.885 361 Q CB 0.612 29.349 28.738 -0.002 0.000 1.218 361 Q HN 0.669 nan 8.270 nan 0.000 0.405 362 G N 2.050 110.859 108.800 0.015 0.000 2.155 362 G HA2 -0.362 3.601 3.960 0.004 0.000 0.257 362 G HA3 -0.362 3.601 3.960 0.004 0.000 0.257 362 G C 0.508 175.419 174.900 0.019 0.000 0.983 362 G CA 0.884 45.994 45.100 0.017 0.000 0.676 362 G HN 0.623 nan 8.290 nan 0.000 0.528 363 Q N -1.462 118.352 119.800 0.023 0.000 2.445 363 Q HA 0.573 4.915 4.340 0.004 0.000 0.257 363 Q C 0.963 176.986 176.000 0.038 0.000 0.806 363 Q CA 0.402 56.224 55.803 0.031 0.000 0.987 363 Q CB 0.545 29.306 28.738 0.037 0.000 1.248 363 Q HN 0.534 nan 8.270 nan 0.000 0.542 364 L N -1.712 119.535 121.223 0.040 0.000 2.283 364 L HA 0.635 4.978 4.340 0.004 0.000 0.259 364 L C 0.510 177.403 176.870 0.037 0.000 1.027 364 L CA -0.491 54.378 54.840 0.048 0.000 0.828 364 L CB 2.026 44.133 42.059 0.080 0.000 1.380 364 L HN 0.337 nan 8.230 nan 0.000 0.425 365 G N 0.502 109.326 108.800 0.040 0.000 2.168 365 G HA2 -0.225 3.738 3.960 0.004 0.000 0.263 365 G HA3 -0.225 3.738 3.960 0.004 0.000 0.263 365 G C -0.421 174.495 174.900 0.028 0.000 0.977 365 G CA 0.451 45.576 45.100 0.042 0.000 0.659 365 G HN 0.494 nan 8.290 nan 0.000 0.533 366 V N 0.358 120.281 119.914 0.014 0.000 2.891 366 V HA 0.626 4.748 4.120 0.004 0.000 0.304 366 V C -0.584 175.508 176.094 -0.003 0.000 1.171 366 V CA -1.111 61.193 62.300 0.006 0.000 0.943 366 V CB 1.773 33.603 31.823 0.012 0.000 1.037 366 V HN 0.364 nan 8.190 nan 0.000 0.427 367 I N 6.559 127.121 120.570 -0.013 0.000 2.281 367 I HA 0.761 4.934 4.170 0.004 0.000 0.293 367 I C 0.393 176.505 176.117 -0.007 0.000 1.085 367 I CA 0.362 61.653 61.300 -0.015 0.000 1.257 367 I CB 0.857 38.841 38.000 -0.028 0.000 1.430 367 I HN 0.789 nan 8.210 nan 0.000 0.489 368 A N 4.969 127.789 122.820 0.001 0.000 2.568 368 A HA 0.741 5.064 4.320 0.004 0.000 0.291 368 A C -0.899 176.692 177.584 0.010 0.000 1.159 368 A CA -0.621 51.420 52.037 0.006 0.000 0.679 368 A CB 1.147 20.152 19.000 0.007 0.000 1.285 368 A HN 0.201 nan 8.150 nan 0.000 0.428 369 V N 1.118 121.040 119.914 0.013 0.000 2.521 369 V HA 0.475 4.598 4.120 0.004 0.000 0.286 369 V C 1.511 177.613 176.094 0.013 0.000 1.034 369 V CA 1.610 63.918 62.300 0.014 0.000 1.045 369 V CB -0.023 31.809 31.823 0.015 0.000 0.974 369 V HN 2.345 nan 8.190 nan 0.000 0.480 370 G N 3.772 112.579 108.800 0.013 0.000 2.284 370 G HA2 -0.137 3.825 3.960 0.004 0.000 0.230 370 G HA3 -0.137 3.825 3.960 0.004 0.000 0.230 370 G C 0.524 175.434 174.900 0.016 0.000 1.021 370 G CA 0.164 45.272 45.100 0.014 0.000 0.619 370 G HN 1.477 nan 8.290 nan 0.000 0.510 371 A N 0.776 123.605 122.820 0.015 0.000 2.445 371 A HA 0.633 4.956 4.320 0.004 0.000 0.242 371 A C 0.757 178.350 177.584 0.016 0.000 1.075 371 A CA 0.027 52.074 52.037 0.016 0.000 0.777 371 A CB 0.127 19.135 19.000 0.013 0.000 1.013 371 A HN 0.834 nan 8.150 nan 0.000 0.493 372 I N 1.496 122.079 120.570 0.022 0.000 2.618 372 I HA 0.088 4.260 4.170 0.004 0.000 0.284 372 I C 1.202 177.325 176.117 0.011 0.000 1.146 372 I CA 0.118 61.431 61.300 0.021 0.000 1.425 372 I CB 0.934 38.955 38.000 0.035 0.000 1.383 372 I HN 0.716 nan 8.210 nan 0.000 0.562 373 A N 5.559 128.381 122.820 0.003 0.000 2.897 373 A HA 0.104 4.427 4.320 0.004 0.000 0.287 373 A C -0.394 177.182 177.584 -0.013 0.000 1.748 373 A CA -0.035 51.997 52.037 -0.008 0.000 1.397 373 A CB -0.807 18.187 19.000 -0.010 0.000 1.049 373 A HN 0.627 nan 8.150 nan 0.000 0.592 374 D N 1.697 122.087 120.400 -0.017 0.000 2.464 374 D HA 0.566 5.208 4.640 0.004 0.000 0.243 374 D C -0.611 175.650 176.300 -0.065 0.000 1.104 374 D CA 0.262 54.245 54.000 -0.028 0.000 0.883 374 D CB 0.870 41.668 40.800 -0.004 0.000 1.050 374 D HN 0.405 nan 8.370 nan 0.000 0.524 375 L N 1.229 122.404 121.223 -0.080 0.000 2.370 375 L HA 0.688 5.030 4.340 0.004 0.000 0.266 375 L C -0.649 176.130 176.870 -0.151 0.000 1.002 375 L CA -1.151 53.621 54.840 -0.113 0.000 0.818 375 L CB 2.487 44.499 42.059 -0.079 0.000 1.325 375 L HN -0.071 nan 8.230 nan 0.000 0.418 376 V N 2.712 122.495 119.914 -0.219 0.000 2.443 376 V HA 0.350 4.473 4.120 0.004 0.000 0.293 376 V C -0.351 175.645 176.094 -0.163 0.000 1.021 376 V CA -0.628 61.526 62.300 -0.243 0.000 0.848 376 V CB 2.244 33.771 31.823 -0.493 0.000 0.998 376 V HN 0.404 nan 8.190 nan 0.000 0.424 377 V N 6.799 126.676 119.914 -0.062 0.000 2.406 377 V HA 0.436 4.559 4.120 0.004 0.000 0.272 377 V C -0.206 175.879 176.094 -0.015 0.000 1.043 377 V CA -0.247 62.047 62.300 -0.009 0.000 0.915 377 V CB 1.395 33.277 31.823 0.098 0.000 0.988 377 V HN 0.622 nan 8.190 nan 0.000 0.466 378 L N 4.377 125.577 121.223 -0.039 0.000 2.365 378 L HA 0.596 4.938 4.340 0.004 0.000 0.273 378 L C -0.490 176.363 176.870 -0.027 0.000 1.000 378 L CA -0.249 54.564 54.840 -0.044 0.000 0.819 378 L CB 2.104 44.121 42.059 -0.070 0.000 1.284 378 L HN 0.558 nan 8.230 nan 0.000 0.418 379 D N 3.399 123.786 120.400 -0.022 0.000 2.441 379 D HA 0.610 5.253 4.640 0.004 0.000 0.221 379 D C 0.156 176.444 176.300 -0.020 0.000 1.156 379 D CA 1.154 55.144 54.000 -0.016 0.000 0.896 379 D CB 0.384 41.177 40.800 -0.011 0.000 1.028 379 D HN 0.848 nan 8.370 nan 0.000 0.509 380 G N 2.633 111.419 108.800 -0.024 0.000 2.331 380 G HA2 -0.011 3.952 3.960 0.004 0.000 0.402 380 G HA3 -0.011 3.952 3.960 0.004 0.000 0.402 380 G C -1.222 173.661 174.900 -0.028 0.000 1.275 380 G CA -1.123 43.964 45.100 -0.022 0.000 1.003 380 G HN 0.466 nan 8.290 nan 0.000 0.500 381 N N 0.911 119.597 118.700 -0.023 0.000 2.483 381 N HA 0.626 5.368 4.740 0.004 0.000 0.267 381 N C -1.069 174.429 175.510 -0.019 0.000 0.998 381 N CA -1.977 51.059 53.050 -0.023 0.000 0.918 381 N CB 2.702 41.178 38.487 -0.018 0.000 1.215 381 N HN 0.173 nan 8.380 nan 0.000 0.500 382 P HA -0.069 nan 4.420 nan 0.000 0.225 382 P C 1.181 178.480 177.300 -0.002 0.000 1.156 382 P CA 0.346 63.430 63.100 -0.027 0.000 0.787 382 P CB 0.575 32.247 31.700 -0.047 0.000 0.802 383 L N -0.326 120.898 121.223 0.002 0.000 2.362 383 L HA -0.062 4.281 4.340 0.004 0.000 0.219 383 L C 2.336 179.213 176.870 0.013 0.000 1.134 383 L CA 1.708 56.555 54.840 0.012 0.000 0.807 383 L CB -1.028 41.035 42.059 0.006 0.000 0.927 383 L HN -0.069 nan 8.230 nan 0.000 0.447 384 E N -1.080 119.124 120.200 0.007 0.000 2.121 384 E HA 0.054 4.407 4.350 0.004 0.000 0.194 384 E C 0.142 176.750 176.600 0.013 0.000 0.940 384 E CA 0.310 56.716 56.400 0.010 0.000 0.884 384 E CB 0.190 29.892 29.700 0.005 0.000 0.874 384 E HN 0.280 nan 8.360 nan 0.000 0.471 385 D N -0.184 120.221 120.400 0.008 0.000 2.278 385 D HA 0.158 4.801 4.640 0.004 0.000 0.245 385 D C 0.518 176.822 176.300 0.007 0.000 1.052 385 D CA -0.315 53.693 54.000 0.012 0.000 0.834 385 D CB 1.411 42.217 40.800 0.010 0.000 1.194 385 D HN -0.121 nan 8.370 nan 0.000 0.481 386 I N 3.164 123.747 120.570 0.022 0.000 2.546 386 I HA 0.177 4.349 4.170 0.004 0.000 0.255 386 I C 1.945 178.065 176.117 0.006 0.000 1.163 386 I CA 1.019 62.333 61.300 0.023 0.000 1.457 386 I CB -0.154 37.889 38.000 0.072 0.000 1.092 386 I HN 0.627 nan 8.210 nan 0.000 0.434 387 G N -0.102 108.710 108.800 0.021 0.000 2.708 387 G HA2 -0.084 3.879 3.960 0.004 0.000 0.210 387 G HA3 -0.084 3.879 3.960 0.004 0.000 0.210 387 G C 1.487 176.388 174.900 0.002 0.000 1.141 387 G CA 0.860 45.974 45.100 0.024 0.000 0.788 387 G HN 0.466 nan 8.290 nan 0.000 0.531 388 V N -2.784 117.117 119.914 -0.021 0.000 3.406 388 V HA 0.147 4.269 4.120 0.004 0.000 0.263 388 V C 1.970 178.029 176.094 -0.059 0.000 1.172 388 V CA 0.932 63.213 62.300 -0.031 0.000 1.140 388 V CB 0.198 32.004 31.823 -0.030 0.000 0.784 388 V HN 0.086 nan 8.190 nan 0.000 0.467 389 V N 0.219 120.065 119.914 -0.113 0.000 3.013 389 V HA 0.365 4.488 4.120 0.004 0.000 0.238 389 V C 2.807 178.812 176.094 -0.147 0.000 1.161 389 V CA 1.135 63.306 62.300 -0.216 0.000 1.170 389 V CB -0.020 31.465 31.823 -0.565 0.000 0.917 389 V HN 0.478 nan 8.190 nan 0.000 0.478 390 A N -0.213 122.568 122.820 -0.064 0.000 2.125 390 A HA -0.186 4.137 4.320 0.004 0.000 0.219 390 A C 1.349 179.002 177.584 0.115 0.000 1.156 390 A CA 1.686 53.775 52.037 0.086 0.000 0.671 390 A CB -0.439 18.640 19.000 0.131 0.000 0.794 390 A HN 0.503 nan 8.150 nan 0.000 0.459 391 D N 0.164 120.606 120.400 0.070 0.000 3.134 391 D HA 0.199 4.841 4.640 0.004 0.000 0.248 391 D C 0.143 176.486 176.300 0.073 0.000 1.273 391 D CA -0.082 53.964 54.000 0.078 0.000 0.904 391 D CB -0.891 39.941 40.800 0.053 0.000 1.089 391 D HN 0.428 nan 8.370 nan 0.000 0.478 392 E N 0.647 120.908 120.200 0.102 0.000 2.269 392 E HA -0.255 4.098 4.350 0.004 0.000 0.223 392 E C 0.644 177.288 176.600 0.072 0.000 1.244 392 E CA 0.479 56.937 56.400 0.097 0.000 0.713 392 E CB -1.234 28.500 29.700 0.057 0.000 1.178 392 E HN 0.683 nan 8.360 nan 0.000 0.370 393 G N -0.875 107.966 108.800 0.069 0.000 2.323 393 G HA2 -0.259 3.703 3.960 0.004 0.000 0.292 393 G HA3 -0.259 3.703 3.960 0.004 0.000 0.292 393 G C 0.793 175.702 174.900 0.015 0.000 1.040 393 G CA 0.623 45.748 45.100 0.043 0.000 0.942 393 G HN 0.861 nan 8.290 nan 0.000 0.506 394 A N -0.431 122.397 122.820 0.013 0.000 1.969 394 A HA 0.170 4.493 4.320 0.004 0.000 0.218 394 A C 2.060 179.638 177.584 -0.010 0.000 1.169 394 A CA 1.655 53.694 52.037 0.003 0.000 0.635 394 A CB 0.002 19.009 19.000 0.011 0.000 0.810 394 A HN 0.514 nan 8.150 nan 0.000 0.445 395 R N -1.063 119.429 120.500 -0.013 0.000 2.767 395 R HA 0.353 4.695 4.340 0.004 0.000 0.377 395 R C -0.834 175.447 176.300 -0.032 0.000 1.151 395 R CA -0.079 56.007 56.100 -0.023 0.000 1.046 395 R CB 0.964 31.253 30.300 -0.019 0.000 1.404 395 R HN 0.220 nan 8.270 nan 0.000 0.580 396 V N 1.465 121.357 119.914 -0.037 0.000 2.483 396 V HA 0.207 4.329 4.120 0.004 0.000 0.295 396 V C 0.422 176.463 176.094 -0.089 0.000 1.035 396 V CA -0.238 62.031 62.300 -0.053 0.000 0.896 396 V CB 1.577 33.375 31.823 -0.042 0.000 0.986 396 V HN 0.406 nan 8.190 nan 0.000 0.447 397 E N 5.108 125.239 120.200 -0.115 0.000 2.444 397 E HA 0.089 4.442 4.350 0.004 0.000 0.203 397 E C -0.706 175.624 176.600 -0.451 0.000 0.847 397 E CA 0.245 56.472 56.400 -0.288 0.000 1.142 397 E CB 0.613 30.142 29.700 -0.285 0.000 1.125 397 E HN 0.603 nan 8.360 nan 0.000 0.521 398 Y N 1.177 121.446 120.300 -0.052 0.000 2.350 398 Y HA 0.485 5.037 4.550 0.005 0.000 0.338 398 Y C -0.490 175.366 175.900 -0.073 0.000 0.961 398 Y CA -1.008 57.061 58.100 -0.053 0.000 1.100 398 Y CB 2.487 40.918 38.460 -0.048 0.000 1.179 398 Y HN -0.217 nan 8.280 nan 0.000 0.454 399 V N 5.735 125.690 119.914 0.068 0.000 2.407 399 V HA 0.440 4.562 4.120 0.004 0.000 0.291 399 V C -0.734 175.370 176.094 0.016 0.000 1.018 399 V CA -0.759 61.542 62.300 0.002 0.000 0.842 399 V CB 1.311 33.119 31.823 -0.024 0.000 0.996 399 V HN 0.516 nan 8.190 nan 0.000 0.426 400 L N 4.643 125.862 121.223 -0.007 0.000 2.322 400 L HA 0.626 4.968 4.340 0.004 0.000 0.281 400 L C -0.144 176.715 176.870 -0.019 0.000 1.014 400 L CA -0.011 54.825 54.840 -0.007 0.000 0.815 400 L CB 1.616 43.667 42.059 -0.014 0.000 1.247 400 L HN 0.609 nan 8.230 nan 0.000 0.421 401 Q N 3.088 122.881 119.800 -0.012 0.000 2.330 401 Q HA 0.434 4.777 4.340 0.004 0.000 0.269 401 Q C -0.612 175.380 176.000 -0.012 0.000 1.022 401 Q CA -0.798 54.997 55.803 -0.013 0.000 0.796 401 Q CB 1.258 29.988 28.738 -0.012 0.000 1.271 401 Q HN 0.426 nan 8.270 nan 0.000 0.450 402 R N 2.771 123.265 120.500 -0.009 0.000 3.158 402 R HA -0.337 4.006 4.340 0.004 0.000 0.244 402 R C 0.651 176.946 176.300 -0.009 0.000 0.900 402 R CA 0.662 56.758 56.100 -0.007 0.000 0.618 402 R CB -1.917 28.378 30.300 -0.009 0.000 1.061 402 R HN 1.185 nan 8.270 nan 0.000 0.471 403 G N -1.085 107.709 108.800 -0.010 0.000 3.909 403 G HA2 -0.408 3.555 3.960 0.004 0.000 0.218 403 G HA3 -0.408 3.555 3.960 0.004 0.000 0.218 403 G C 0.279 175.171 174.900 -0.013 0.000 1.404 403 G CA 0.501 45.594 45.100 -0.012 0.000 0.905 403 G HN 0.606 nan 8.290 nan 0.000 0.589 404 T N 1.929 116.476 114.554 -0.011 0.000 2.901 404 T HA 0.469 4.822 4.350 0.004 0.000 0.301 404 T C 0.382 175.081 174.700 -0.002 0.000 1.012 404 T CA 0.216 62.312 62.100 -0.008 0.000 1.135 404 T CB 0.635 69.498 68.868 -0.008 0.000 0.936 404 T HN 1.157 nan 8.240 nan 0.000 0.539 405 L N 6.344 127.571 121.223 0.007 0.000 2.380 405 L HA 0.363 4.705 4.340 0.004 0.000 0.273 405 L C 0.625 177.513 176.870 0.030 0.000 1.138 405 L CA 0.435 55.293 54.840 0.030 0.000 0.832 405 L CB 0.895 42.986 42.059 0.053 0.000 1.124 405 L HN 0.603 nan 8.230 nan 0.000 0.454 406 V N 2.411 122.343 119.914 0.032 0.000 3.307 406 V HA 0.317 4.440 4.120 0.004 0.000 0.244 406 V C 0.562 176.664 176.094 0.013 0.000 1.196 406 V CA 0.246 62.555 62.300 0.015 0.000 1.132 406 V CB -0.347 31.478 31.823 0.004 0.000 0.875 406 V HN 0.630 nan 8.190 nan 0.000 0.468 407 K N 1.544 121.956 120.400 0.019 0.000 2.324 407 K HA 0.594 4.917 4.320 0.004 0.000 0.253 407 K C -0.852 175.704 176.600 -0.073 0.000 0.932 407 K CA -0.455 55.820 56.287 -0.021 0.000 0.799 407 K CB 2.861 35.342 32.500 -0.032 0.000 1.154 407 K HN 0.081 nan 8.250 nan 0.000 0.425 408 R N 2.809 123.234 120.500 -0.126 0.000 2.472 408 R HA 0.214 4.557 4.340 0.004 0.000 0.294 408 R C -0.890 175.275 176.300 -0.225 0.000 1.243 408 R CA -0.059 55.893 56.100 -0.246 0.000 1.023 408 R CB 0.848 31.073 30.300 -0.125 0.000 1.157 408 R HN 0.674 nan 8.270 nan 0.000 0.530 409 Q N 0.000 119.623 119.800 -0.295 0.000 2.315 409 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 409 Q CA 0.000 55.690 55.803 -0.189 0.000 1.022 409 Q CB 0.000 28.659 28.738 -0.132 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481