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_J 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 0.000 174.691 174.700 -0.015 0.000 1.109 2 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 3 I N 3.372 123.933 120.570 -0.016 0.000 2.325 3 I HA 0.608 4.778 4.170 0.001 0.000 0.291 3 I C -1.235 174.869 176.117 -0.021 0.000 1.019 3 I CA 0.178 61.468 61.300 -0.016 0.000 1.302 3 I CB 1.184 39.175 38.000 -0.015 0.000 1.401 3 I HN 0.293 nan 8.210 nan 0.000 0.485 4 T N 6.321 120.861 114.554 -0.023 0.000 2.841 4 T HA 0.523 4.873 4.350 0.001 0.000 0.283 4 T C -0.728 173.955 174.700 -0.027 0.000 1.000 4 T CA -0.505 61.576 62.100 -0.031 0.000 0.977 4 T CB 1.879 70.723 68.868 -0.040 0.000 0.979 4 T HN 0.264 nan 8.240 nan 0.000 0.446 5 V N 4.166 124.063 119.914 -0.029 0.000 2.444 5 V HA 0.418 4.539 4.120 0.001 0.000 0.294 5 V C -0.319 175.766 176.094 -0.016 0.000 1.022 5 V CA -0.880 61.413 62.300 -0.012 0.000 0.850 5 V CB 1.532 33.353 31.823 -0.003 0.000 0.992 5 V HN 0.749 nan 8.190 nan 0.000 0.426 6 L N 5.899 127.118 121.223 -0.007 0.000 2.331 6 L HA 0.533 4.873 4.340 0.001 0.000 0.278 6 L C 0.285 177.190 176.870 0.058 0.000 1.106 6 L CA -0.052 54.782 54.840 -0.011 0.000 0.824 6 L CB 0.898 42.941 42.059 -0.026 0.000 1.142 6 L HN 0.752 nan 8.230 nan 0.000 0.443 7 Q N 2.020 121.860 119.800 0.067 0.000 2.375 7 Q HA 0.547 4.887 4.340 0.001 0.000 0.271 7 Q C 0.364 176.380 176.000 0.026 0.000 1.074 7 Q CA -0.387 55.531 55.803 0.191 0.000 0.808 7 Q CB 2.128 31.023 28.738 0.262 0.000 1.327 7 Q HN 0.793 nan 8.270 nan 0.000 0.441 8 G N 1.498 110.156 108.800 -0.237 0.000 2.160 8 G HA2 -0.248 3.712 3.960 0.001 0.000 0.251 8 G HA3 -0.248 3.712 3.960 0.001 0.000 0.251 8 G C 0.288 175.106 174.900 -0.136 0.000 1.008 8 G CA -0.024 44.985 45.100 -0.152 0.000 0.724 8 G HN 1.010 nan 8.290 nan 0.000 0.514 9 G N -0.695 108.007 108.800 -0.163 0.000 2.476 9 G HA2 0.497 4.458 3.960 0.001 0.000 0.286 9 G HA3 0.497 4.458 3.960 0.001 0.000 0.286 9 G C -0.026 174.793 174.900 -0.135 0.000 1.177 9 G CA -0.544 44.482 45.100 -0.122 0.000 0.870 9 G HN 0.410 nan 8.290 nan 0.000 0.528 10 N N 0.474 119.096 118.700 -0.130 0.000 2.663 10 N HA 0.255 4.995 4.740 0.001 0.000 0.250 10 N C -0.233 175.233 175.510 -0.073 0.000 1.129 10 N CA -0.468 52.516 53.050 -0.110 0.000 0.995 10 N CB 1.524 39.940 38.487 -0.118 0.000 1.324 10 N HN 0.180 nan 8.380 nan 0.000 0.512 11 V N 2.780 122.655 119.914 -0.064 0.000 2.450 11 V HA -0.043 4.077 4.120 0.001 0.000 0.281 11 V C 0.601 176.645 176.094 -0.084 0.000 1.019 11 V CA -0.008 62.247 62.300 -0.074 0.000 1.062 11 V CB 0.395 32.163 31.823 -0.090 0.000 0.979 11 V HN 0.611 nan 8.190 nan 0.000 0.477 12 L N 5.414 126.601 121.223 -0.061 0.000 2.302 12 L HA 0.325 4.665 4.340 0.001 0.000 0.285 12 L C 0.480 177.325 176.870 -0.043 0.000 1.090 12 L CA -0.174 54.638 54.840 -0.048 0.000 0.866 12 L CB 0.405 42.446 42.059 -0.030 0.000 1.244 12 L HN 0.659 nan 8.230 nan 0.000 0.435 13 D N 3.749 124.115 120.400 -0.055 0.000 2.383 13 D HA 0.052 4.692 4.640 0.001 0.000 0.252 13 D C 0.655 176.943 176.300 -0.019 0.000 1.166 13 D CA 0.127 54.102 54.000 -0.043 0.000 0.879 13 D CB 1.603 42.367 40.800 -0.060 0.000 1.164 13 D HN 0.519 nan 8.370 nan 0.000 0.462 14 L N 3.310 124.531 121.223 -0.003 0.000 2.470 14 L HA -0.008 4.332 4.340 0.001 0.000 0.219 14 L C 2.331 179.212 176.870 0.019 0.000 1.071 14 L CA 0.036 54.885 54.840 0.014 0.000 0.850 14 L CB 0.116 42.193 42.059 0.030 0.000 1.040 14 L HN 0.474 nan 8.230 nan 0.000 0.475 15 E N 0.405 120.613 120.200 0.014 0.000 2.285 15 E HA -0.171 4.179 4.350 0.001 0.000 0.194 15 E C 1.775 178.381 176.600 0.011 0.000 0.997 15 E CA 0.830 57.240 56.400 0.016 0.000 0.845 15 E CB 0.042 29.751 29.700 0.015 0.000 0.782 15 E HN 0.415 nan 8.360 nan 0.000 0.491 16 R N 0.084 120.585 120.500 0.002 0.000 2.189 16 R HA 0.161 4.501 4.340 0.001 0.000 0.203 16 R C 0.876 177.176 176.300 0.000 0.000 1.012 16 R CA 0.612 56.712 56.100 -0.001 0.000 1.015 16 R CB 0.311 30.604 30.300 -0.011 0.000 0.938 16 R HN 0.293 nan 8.270 nan 0.000 0.472 17 G N 1.432 110.233 108.800 0.000 0.000 2.326 17 G HA2 -0.199 3.762 3.960 0.001 0.000 0.286 17 G HA3 -0.199 3.762 3.960 0.001 0.000 0.286 17 G C -0.173 174.725 174.900 -0.002 0.000 1.096 17 G CA 0.247 45.350 45.100 0.005 0.000 1.003 17 G HN 0.264 nan 8.290 nan 0.000 0.503 18 V N -2.768 117.138 119.914 -0.014 0.000 3.159 18 V HA 0.830 4.950 4.120 0.001 0.000 0.308 18 V C 0.276 176.351 176.094 -0.032 0.000 1.190 18 V CA -1.717 60.571 62.300 -0.019 0.000 1.037 18 V CB 2.298 34.108 31.823 -0.022 0.000 1.060 18 V HN 0.345 nan 8.190 nan 0.000 0.437 19 L N 2.328 123.533 121.223 -0.030 0.000 2.257 19 L HA 0.513 4.853 4.340 0.001 0.000 0.290 19 L C -0.778 176.066 176.870 -0.044 0.000 1.044 19 L CA -0.497 54.319 54.840 -0.041 0.000 0.810 19 L CB 1.358 43.396 42.059 -0.034 0.000 1.193 19 L HN 0.565 nan 8.230 nan 0.000 0.425 20 L N 5.356 126.531 121.223 -0.080 0.000 2.270 20 L HA 0.231 4.571 4.340 0.001 0.000 0.286 20 L C 0.498 177.404 176.870 0.060 0.000 1.059 20 L CA -0.661 54.126 54.840 -0.089 0.000 0.839 20 L CB 0.620 42.422 42.059 -0.429 0.000 1.221 20 L HN 0.584 nan 8.230 nan 0.000 0.431 21 E N 4.137 124.405 120.200 0.114 0.000 2.360 21 E HA -0.004 4.346 4.350 0.001 0.000 0.269 21 E C 0.131 176.789 176.600 0.097 0.000 1.022 21 E CA -0.450 55.964 56.400 0.024 0.000 0.887 21 E CB 0.415 30.134 29.700 0.032 0.000 0.990 21 E HN 0.584 nan 8.360 nan 0.000 0.426 22 H N 0.340 119.398 119.070 -0.020 0.000 2.822 22 H HA -0.180 4.376 4.556 0.001 0.000 0.295 22 H C -0.573 174.552 175.328 -0.339 0.000 1.151 22 H CA 1.223 57.171 56.048 -0.166 0.000 1.151 22 H CB -2.066 27.617 29.762 -0.130 0.000 1.343 22 H HN 0.597 nan 8.280 nan 0.000 0.382 23 H N 0.585 119.548 119.070 -0.179 0.000 2.582 23 H HA 0.221 4.777 4.556 0.001 0.000 0.345 23 H C 0.924 176.099 175.328 -0.255 0.000 1.104 23 H CA 0.116 56.075 56.048 -0.150 0.000 1.390 23 H CB 0.674 30.407 29.762 -0.048 0.000 1.461 23 H HN 0.266 nan 8.280 nan 0.000 0.551 24 H N 2.025 121.152 119.070 0.095 0.000 2.458 24 H HA 0.292 4.848 4.556 0.001 0.000 0.330 24 H C -0.581 174.776 175.328 0.048 0.000 1.111 24 H CA -0.731 55.346 56.048 0.049 0.000 1.245 24 H CB 1.290 31.061 29.762 0.016 0.000 1.456 24 H HN 0.255 nan 8.280 nan 0.000 0.488 25 V N 3.829 123.815 119.914 0.120 0.000 2.398 25 V HA 0.168 4.288 4.120 0.001 0.000 0.286 25 V C 0.282 176.405 176.094 0.049 0.000 1.026 25 V CA -0.812 61.527 62.300 0.065 0.000 0.868 25 V CB 1.505 33.342 31.823 0.023 0.000 0.982 25 V HN 0.435 nan 8.190 nan 0.000 0.443 26 V N 6.068 126.005 119.914 0.038 0.000 2.370 26 V HA 0.498 4.619 4.120 0.001 0.000 0.283 26 V C -0.151 175.947 176.094 0.007 0.000 1.023 26 V CA -0.394 61.918 62.300 0.019 0.000 0.857 26 V CB 1.436 33.269 31.823 0.018 0.000 0.985 26 V HN 0.618 nan 8.190 nan 0.000 0.443 27 I N 3.433 124.001 120.570 -0.003 0.000 2.441 27 I HA 0.543 4.714 4.170 0.001 0.000 0.295 27 I C -0.655 175.456 176.117 -0.010 0.000 0.994 27 I CA -0.513 60.782 61.300 -0.008 0.000 1.144 27 I CB 1.819 39.809 38.000 -0.016 0.000 1.314 27 I HN 0.615 nan 8.210 nan 0.000 0.445 28 D N 3.333 123.728 120.400 -0.008 0.000 2.473 28 D HA 0.546 5.186 4.640 0.001 0.000 0.253 28 D C 0.681 176.976 176.300 -0.009 0.000 1.233 28 D CA 0.648 54.643 54.000 -0.009 0.000 0.908 28 D CB 1.234 42.030 40.800 -0.006 0.000 1.170 28 D HN 0.865 nan 8.370 nan 0.000 0.558 29 G N 4.113 112.906 108.800 -0.011 0.000 5.426 29 G HA2 -0.350 3.610 3.960 0.001 0.000 0.297 29 G HA3 -0.350 3.610 3.960 0.001 0.000 0.297 29 G C 0.849 175.742 174.900 -0.012 0.000 1.422 29 G CA 0.631 45.725 45.100 -0.011 0.000 0.938 29 G HN 0.534 nan 8.290 nan 0.000 0.754 30 E N -0.204 119.990 120.200 -0.010 0.000 2.576 30 E HA 0.213 4.563 4.350 0.001 0.000 0.214 30 E C 0.944 177.540 176.600 -0.008 0.000 0.859 30 E CA -0.229 56.164 56.400 -0.010 0.000 1.399 30 E CB 1.093 30.788 29.700 -0.008 0.000 1.374 30 E HN 0.477 nan 8.360 nan 0.000 0.718 31 R N 0.831 121.328 120.500 -0.005 0.000 2.832 31 R HA 0.533 4.873 4.340 0.001 0.000 0.271 31 R C -0.469 175.830 176.300 -0.002 0.000 0.996 31 R CA -0.799 55.300 56.100 -0.002 0.000 0.977 31 R CB 1.928 32.229 30.300 0.002 0.000 1.168 31 R HN -0.089 nan 8.270 nan 0.000 0.482 32 I N 2.399 122.969 120.570 -0.001 0.000 2.337 32 I HA 0.012 4.182 4.170 0.001 0.000 0.291 32 I C 1.308 177.429 176.117 0.006 0.000 1.046 32 I CA -0.209 61.092 61.300 0.001 0.000 1.324 32 I CB 1.273 39.273 38.000 0.001 0.000 1.409 32 I HN 0.470 nan 8.210 nan 0.000 0.494 33 V N 3.339 123.257 119.914 0.007 0.000 2.500 33 V HA 0.111 4.231 4.120 0.001 0.000 0.243 33 V C 0.717 176.819 176.094 0.014 0.000 1.039 33 V CA 0.812 63.116 62.300 0.008 0.000 1.053 33 V CB -0.534 31.292 31.823 0.005 0.000 0.695 33 V HN 0.815 nan 8.190 nan 0.000 0.463 34 E N -0.861 119.351 120.200 0.021 0.000 2.375 34 E HA 0.545 4.896 4.350 0.001 0.000 0.280 34 E C -2.187 174.443 176.600 0.050 0.000 0.972 34 E CA -0.396 56.023 56.400 0.032 0.000 0.782 34 E CB 3.032 32.749 29.700 0.029 0.000 1.229 34 E HN -0.005 nan 8.360 nan 0.000 0.439 35 V N 2.564 122.518 119.914 0.066 0.000 2.483 35 V HA 0.592 4.712 4.120 0.001 0.000 0.297 35 V C -0.319 175.878 176.094 0.173 0.000 1.027 35 V CA -0.345 62.018 62.300 0.106 0.000 0.855 35 V CB 1.669 33.533 31.823 0.068 0.000 0.995 35 V HN 0.720 nan 8.190 nan 0.000 0.424 36 T N 1.689 116.380 114.554 0.228 0.000 2.853 36 T HA 0.316 4.666 4.350 0.001 0.000 0.311 36 T C -0.198 174.572 174.700 0.116 0.000 1.307 36 T CA -0.251 61.977 62.100 0.214 0.000 1.019 36 T CB 1.925 70.855 68.868 0.102 0.000 1.264 36 T HN 0.814 nan 8.240 nan 0.000 0.497 37 D N 1.350 121.641 120.400 -0.183 0.000 2.349 37 D HA 0.074 4.715 4.640 0.001 0.000 0.214 37 D C 0.527 176.837 176.300 0.016 0.000 1.063 37 D CA -0.314 53.524 54.000 -0.271 0.000 0.847 37 D CB 0.200 40.600 40.800 -0.666 0.000 0.933 37 D HN 0.143 nan 8.370 nan 0.000 0.513 38 R N 1.753 122.261 120.500 0.013 0.000 2.694 38 R HA 0.230 4.570 4.340 0.001 0.000 0.268 38 R C -2.072 174.151 176.300 -0.128 0.000 1.061 38 R CA -1.363 54.716 56.100 -0.035 0.000 1.133 38 R CB -0.494 29.786 30.300 -0.034 0.000 1.020 38 R HN 0.153 nan 8.270 nan 0.000 0.475 39 P HA -0.053 nan 4.420 nan 0.000 0.265 39 P C -0.242 176.930 177.300 -0.213 0.000 1.193 39 P CA 0.138 63.131 63.100 -0.178 0.000 0.765 39 P CB 0.548 32.190 31.700 -0.096 0.000 0.823 40 V N 2.979 122.725 119.914 -0.280 0.000 2.394 40 V HA 0.216 4.336 4.120 0.001 0.000 0.282 40 V C -0.343 175.676 176.094 -0.125 0.000 1.031 40 V CA -0.512 61.651 62.300 -0.228 0.000 0.881 40 V CB 1.057 32.695 31.823 -0.309 0.000 0.982 40 V HN 0.476 nan 8.190 nan 0.000 0.451 41 D N 6.094 126.441 120.400 -0.088 0.000 2.359 41 D HA 0.395 5.035 4.640 0.001 0.000 0.230 41 D C -0.376 175.896 176.300 -0.047 0.000 1.118 41 D CA -0.282 53.683 54.000 -0.059 0.000 0.844 41 D CB 0.870 41.642 40.800 -0.046 0.000 1.059 41 D HN 0.618 nan 8.370 nan 0.000 0.493 42 L N 2.720 123.918 121.223 -0.042 0.000 2.324 42 L HA 0.647 4.987 4.340 0.001 0.000 0.274 42 L C -1.986 174.868 176.870 -0.026 0.000 1.012 42 L CA -1.254 53.566 54.840 -0.033 0.000 0.859 42 L CB 1.440 43.479 42.059 -0.033 0.000 1.224 42 L HN 0.185 nan 8.230 nan 0.000 0.429 43 P HA 0.116 nan 4.420 nan 0.000 0.214 43 P C 0.415 177.705 177.300 -0.017 0.000 1.152 43 P CA 0.676 63.765 63.100 -0.018 0.000 0.874 43 P CB 0.339 32.029 31.700 -0.017 0.000 0.782 44 N N -0.882 117.808 118.700 -0.017 0.000 2.416 44 N HA 0.425 5.166 4.740 0.001 0.000 0.267 44 N C -0.954 174.546 175.510 -0.017 0.000 1.294 44 N CA -0.228 52.812 53.050 -0.015 0.000 0.891 44 N CB 0.269 38.748 38.487 -0.013 0.000 1.238 44 N HN 0.033 nan 8.380 nan 0.000 0.508 45 A N 0.371 123.179 122.820 -0.019 0.000 2.305 45 A HA 0.344 4.664 4.320 0.001 0.000 0.322 45 A C -0.363 177.207 177.584 -0.023 0.000 1.187 45 A CA -0.501 51.523 52.037 -0.021 0.000 0.825 45 A CB 0.896 19.882 19.000 -0.023 0.000 1.164 45 A HN 0.346 nan 8.150 nan 0.000 0.498 46 Q N 1.869 121.653 119.800 -0.026 0.000 2.322 46 Q HA 0.520 4.860 4.340 0.001 0.000 0.256 46 Q C -0.298 175.679 176.000 -0.039 0.000 0.960 46 Q CA -0.356 55.428 55.803 -0.032 0.000 0.934 46 Q CB 0.984 29.702 28.738 -0.033 0.000 1.200 46 Q HN 0.834 nan 8.270 nan 0.000 0.435 47 A N 5.224 128.021 122.820 -0.039 0.000 2.304 47 A HA 0.640 4.960 4.320 0.001 0.000 0.301 47 A C -0.493 177.051 177.584 -0.067 0.000 1.132 47 A CA -0.596 51.417 52.037 -0.041 0.000 0.819 47 A CB 0.597 19.582 19.000 -0.025 0.000 1.094 47 A HN 0.823 nan 8.150 nan 0.000 0.492 48 I N 1.203 121.723 120.570 -0.084 0.000 2.436 48 I HA 0.231 4.401 4.170 0.001 0.000 0.289 48 I C -1.046 175.015 176.117 -0.093 0.000 1.010 48 I CA -0.619 60.593 61.300 -0.146 0.000 1.098 48 I CB 2.064 39.907 38.000 -0.263 0.000 1.266 48 I HN 0.569 nan 8.210 nan 0.000 0.434 49 D N 5.968 126.325 120.400 -0.072 0.000 2.365 49 D HA 0.311 4.951 4.640 0.001 0.000 0.237 49 D C -0.068 176.233 176.300 0.002 0.000 1.190 49 D CA 0.016 54.009 54.000 -0.012 0.000 0.867 49 D CB 1.051 41.857 40.800 0.010 0.000 1.050 49 D HN 0.258 nan 8.370 nan 0.000 0.491 50 V N 4.941 124.860 119.914 0.009 0.000 2.759 50 V HA 0.208 4.328 4.120 0.001 0.000 0.342 50 V C 0.488 176.589 176.094 0.011 0.000 1.228 50 V CA -0.910 61.400 62.300 0.017 0.000 1.302 50 V CB -0.701 31.117 31.823 -0.008 0.000 1.496 50 V HN 0.456 nan 8.190 nan 0.000 0.628 51 R N 1.442 121.965 120.500 0.039 0.000 2.389 51 R HA 0.463 4.804 4.340 0.001 0.000 0.295 51 R C 0.712 177.026 176.300 0.023 0.000 1.075 51 R CA 0.747 56.882 56.100 0.058 0.000 1.005 51 R CB 0.521 30.894 30.300 0.120 0.000 0.987 51 R HN 0.902 nan 8.270 nan 0.000 0.452 52 G N 2.301 111.074 108.800 -0.046 0.000 2.176 52 G HA2 -0.304 3.656 3.960 0.001 0.000 0.252 52 G HA3 -0.304 3.656 3.960 0.001 0.000 0.252 52 G C -0.572 174.299 174.900 -0.048 0.000 1.024 52 G CA 0.659 45.727 45.100 -0.054 0.000 0.755 52 G HN 0.667 nan 8.290 nan 0.000 0.507 53 K N -0.583 119.781 120.400 -0.060 0.000 2.508 53 K HA 0.579 4.899 4.320 0.001 0.000 0.260 53 K C -0.310 176.259 176.600 -0.052 0.000 0.949 53 K CA -0.745 55.519 56.287 -0.037 0.000 0.834 53 K CB 1.591 34.091 32.500 -0.000 0.000 1.365 53 K HN 0.043 nan 8.250 nan 0.000 0.437 54 T N 1.487 116.015 114.554 -0.043 0.000 2.794 54 T HA 0.204 4.554 4.350 0.001 0.000 0.296 54 T C -0.300 174.375 174.700 -0.041 0.000 0.949 54 T CA -0.492 61.580 62.100 -0.047 0.000 1.101 54 T CB 0.471 69.314 68.868 -0.041 0.000 0.905 54 T HN 0.127 nan 8.240 nan 0.000 0.516 55 V N 6.593 126.478 119.914 -0.048 0.000 2.370 55 V HA 0.563 4.683 4.120 0.001 0.000 0.279 55 V C 0.251 176.312 176.094 -0.056 0.000 1.029 55 V CA -0.578 61.693 62.300 -0.049 0.000 0.870 55 V CB 0.696 32.493 31.823 -0.043 0.000 0.984 55 V HN 0.878 nan 8.190 nan 0.000 0.451 56 M N 5.135 124.690 119.600 -0.074 0.000 2.631 56 M HA 0.785 5.265 4.480 0.001 0.000 0.288 56 M C -3.148 173.082 176.300 -0.117 0.000 1.260 56 M CA -2.240 53.016 55.300 -0.074 0.000 0.842 56 M CB 2.411 34.986 32.600 -0.041 0.000 1.743 56 M HN 0.183 nan 8.290 nan 0.000 0.461 57 P HA 0.294 nan 4.420 nan 0.000 0.274 57 P C -0.054 177.104 177.300 -0.236 0.000 1.246 57 P CA -0.022 63.011 63.100 -0.112 0.000 0.795 57 P CB 0.363 32.038 31.700 -0.042 0.000 1.006 58 G N 0.592 109.248 108.800 -0.240 0.000 2.441 58 G HA2 0.304 4.264 3.960 0.001 0.000 0.243 58 G HA3 0.304 4.264 3.960 0.001 0.000 0.243 58 G C -0.669 174.077 174.900 -0.257 0.000 1.281 58 G CA -0.245 44.626 45.100 -0.382 0.000 0.854 58 G HN 0.195 nan 8.290 nan 0.000 0.560 59 F N 0.394 120.225 119.950 -0.199 0.000 2.471 59 F HA 0.381 4.908 4.527 0.000 0.000 0.353 59 F C 0.821 176.629 175.800 0.013 0.000 1.113 59 F CA -0.895 56.944 58.000 -0.268 0.000 1.262 59 F CB 0.795 39.309 39.000 -0.811 0.000 1.146 59 F HN 0.142 nan 8.300 nan 0.000 0.578 60 I N 2.760 123.536 120.570 0.343 0.000 2.437 60 I HA 0.145 4.315 4.170 0.001 0.000 0.279 60 I C -0.393 176.002 176.117 0.463 0.000 1.028 60 I CA -0.530 61.005 61.300 0.391 0.000 1.142 60 I CB 1.018 39.167 38.000 0.249 0.000 1.266 60 I HN 0.457 nan 8.210 nan 0.000 0.461 61 D N 5.602 126.326 120.400 0.541 0.000 2.336 61 D HA 0.113 4.753 4.640 0.001 0.000 0.249 61 D C 0.426 176.865 176.300 0.230 0.000 1.213 61 D CA -0.114 54.113 54.000 0.379 0.000 0.870 61 D CB 1.341 42.148 40.800 0.013 0.000 1.076 61 D HN 0.599 nan 8.370 nan 0.000 0.483 62 C N 3.050 122.477 119.300 0.212 0.000 2.613 62 C HA 0.089 4.549 4.460 0.001 0.000 0.273 62 C C 0.776 175.840 174.990 0.123 0.000 1.304 62 C CA -0.166 58.933 59.018 0.136 0.000 1.702 62 C CB -1.766 26.031 27.740 0.095 0.000 1.792 62 C HN 0.577 nan 8.230 nan 0.000 0.588 63 H N -0.106 118.953 119.070 -0.018 0.000 3.093 63 H HA 0.458 5.014 4.556 0.001 0.000 0.311 63 H C -0.693 174.574 175.328 -0.101 0.000 1.294 63 H CA -0.158 55.840 56.048 -0.083 0.000 1.628 63 H CB 0.426 30.119 29.762 -0.114 0.000 1.874 63 H HN 0.095 nan 8.280 nan 0.000 0.574 64 V N 0.712 120.505 119.914 -0.202 0.000 3.113 64 V HA 0.606 4.727 4.120 0.001 0.000 0.316 64 V C -0.485 175.378 176.094 -0.385 0.000 1.125 64 V CA -0.787 61.434 62.300 -0.133 0.000 1.026 64 V CB 2.508 34.302 31.823 -0.048 0.000 1.080 64 V HN 0.718 nan 8.190 nan 0.000 0.444 65 H N 1.106 120.218 119.070 0.070 0.000 2.854 65 H HA 0.404 4.960 4.556 0.000 0.000 0.275 65 H C 0.502 175.901 175.328 0.119 0.000 1.198 65 H CA -0.244 55.846 56.048 0.070 0.000 1.489 65 H CB 1.908 31.716 29.762 0.077 0.000 1.519 65 H HN 0.526 nan 8.280 nan 0.000 0.503 66 V N 2.511 122.481 119.914 0.093 0.000 2.295 66 V HA -0.226 3.894 4.120 0.001 0.000 0.246 66 V C 2.076 178.169 176.094 -0.000 0.000 1.049 66 V CA 1.461 63.763 62.300 0.004 0.000 1.024 66 V CB -0.157 31.644 31.823 -0.037 0.000 0.648 66 V HN 0.545 nan 8.190 nan 0.000 0.447 67 L N 0.722 121.972 121.223 0.045 0.000 2.747 67 L HA 0.238 4.578 4.340 0.001 0.000 0.248 67 L C 0.935 177.839 176.870 0.056 0.000 1.191 67 L CA -0.011 54.849 54.840 0.034 0.000 1.003 67 L CB -0.384 41.697 42.059 0.037 0.000 1.235 67 L HN 0.250 nan 8.230 nan 0.000 0.426 68 A N -0.625 122.259 122.820 0.106 0.000 2.880 68 A HA 0.313 4.633 4.320 0.001 0.000 0.328 68 A C 1.394 179.054 177.584 0.126 0.000 1.440 68 A CA -0.039 52.066 52.037 0.113 0.000 1.068 68 A CB 0.130 19.226 19.000 0.159 0.000 1.163 68 A HN 0.378 nan 8.150 nan 0.000 0.510 69 S N 1.444 117.168 115.700 0.040 0.000 2.428 69 S HA -0.060 4.411 4.470 0.001 0.000 0.230 69 S C 0.579 175.188 174.600 0.015 0.000 1.014 69 S CA 0.778 58.987 58.200 0.015 0.000 0.957 69 S CB -0.543 62.648 63.200 -0.016 0.000 0.784 69 S HN 0.947 nan 8.310 nan 0.000 0.499 70 N N -1.723 116.980 118.700 0.005 0.000 2.494 70 N HA 0.686 5.426 4.740 0.001 0.000 0.270 70 N C 0.488 175.991 175.510 -0.012 0.000 1.285 70 N CA -0.394 52.652 53.050 -0.006 0.000 0.812 70 N CB 1.027 39.502 38.487 -0.020 0.000 1.557 70 N HN -0.033 nan 8.380 nan 0.000 0.487 71 A N 0.760 123.586 122.820 0.011 0.000 1.908 71 A HA -0.169 4.151 4.320 0.001 0.000 0.218 71 A C 1.021 178.580 177.584 -0.042 0.000 1.181 71 A CA 1.116 53.160 52.037 0.012 0.000 0.627 71 A CB -0.825 18.224 19.000 0.082 0.000 0.818 71 A HN 0.784 nan 8.150 nan 0.000 0.445 72 N N 0.986 119.656 118.700 -0.049 0.000 2.416 72 N HA 0.097 4.837 4.740 0.001 0.000 0.271 72 N C 0.593 175.975 175.510 -0.214 0.000 1.245 72 N CA 0.150 53.136 53.050 -0.107 0.000 0.940 72 N CB 0.449 38.895 38.487 -0.069 0.000 1.175 72 N HN 0.406 nan 8.380 nan 0.000 0.483 73 L N 2.777 123.777 121.223 -0.372 0.000 2.313 73 L HA 0.023 4.363 4.340 0.001 0.000 0.214 73 L C 2.262 178.599 176.870 -0.888 0.000 1.119 73 L CA 0.654 55.116 54.840 -0.630 0.000 0.809 73 L CB -0.195 41.372 42.059 -0.820 0.000 0.933 73 L HN 0.563 nan 8.230 nan 0.000 0.449 74 G N -0.505 107.838 108.800 -0.762 0.000 2.404 74 G HA2 -0.220 3.741 3.960 0.001 0.000 0.215 74 G HA3 -0.220 3.741 3.960 0.001 0.000 0.215 74 G C 1.563 176.343 174.900 -0.200 0.000 1.174 74 G CA 0.772 45.617 45.100 -0.425 0.000 0.780 74 G HN 0.177 nan 8.290 nan 0.000 0.537 75 V N 0.827 120.646 119.914 -0.158 0.000 2.871 75 V HA -0.041 4.080 4.120 0.001 0.000 0.256 75 V C 2.363 178.406 176.094 -0.084 0.000 1.082 75 V CA 1.806 64.055 62.300 -0.085 0.000 1.105 75 V CB -0.307 31.483 31.823 -0.055 0.000 0.713 75 V HN 0.467 nan 8.190 nan 0.000 0.473 76 N N -0.027 118.596 118.700 -0.129 0.000 2.381 76 N HA -0.050 4.690 4.740 0.001 0.000 0.182 76 N C 1.636 177.105 175.510 -0.069 0.000 1.025 76 N CA 1.256 54.246 53.050 -0.099 0.000 0.888 76 N CB -0.116 38.293 38.487 -0.129 0.000 0.965 76 N HN 0.488 nan 8.380 nan 0.000 0.438 77 A N -0.870 121.903 122.820 -0.078 0.000 2.030 77 A HA -0.001 4.319 4.320 0.001 0.000 0.215 77 A C 2.011 179.601 177.584 0.010 0.000 1.164 77 A CA 1.362 53.392 52.037 -0.011 0.000 0.697 77 A CB -0.664 18.354 19.000 0.031 0.000 0.827 77 A HN 0.460 nan 8.150 nan 0.000 0.457 78 T N -0.939 113.612 114.554 -0.005 0.000 3.129 78 T HA 0.114 4.465 4.350 0.001 0.000 0.251 78 T C 0.807 175.511 174.700 0.005 0.000 1.117 78 T CA 0.192 62.298 62.100 0.009 0.000 1.034 78 T CB -0.518 68.355 68.868 0.008 0.000 0.968 78 T HN 0.674 nan 8.240 nan 0.000 0.526 79 Q N 1.440 121.239 119.800 -0.003 0.000 2.340 79 Q HA 0.370 4.710 4.340 0.001 0.000 0.249 79 Q C -2.705 173.300 176.000 0.007 0.000 0.957 79 Q CA -2.161 53.641 55.803 -0.002 0.000 0.882 79 Q CB -0.048 28.684 28.738 -0.010 0.000 1.235 79 Q HN 0.046 nan 8.270 nan 0.000 0.439 80 P HA -0.100 nan 4.420 nan 0.000 0.263 80 P C -0.074 177.233 177.300 0.012 0.000 1.175 80 P CA 0.163 63.269 63.100 0.010 0.000 0.761 80 P CB 0.473 32.176 31.700 0.005 0.000 0.794 81 N N 3.050 121.761 118.700 0.019 0.000 2.018 81 N HA -0.182 4.558 4.740 0.001 0.000 0.196 81 N C 1.521 177.040 175.510 0.016 0.000 1.043 81 N CA 1.207 54.272 53.050 0.024 0.000 0.856 81 N CB -0.761 37.743 38.487 0.029 0.000 1.042 81 N HN 0.451 nan 8.380 nan 0.000 0.423 82 I N 0.858 121.434 120.570 0.010 0.000 2.315 82 I HA -0.140 4.030 4.170 0.001 0.000 0.248 82 I C 1.912 178.029 176.117 -0.000 0.000 1.117 82 I CA 0.984 62.287 61.300 0.005 0.000 1.404 82 I CB -0.609 37.393 38.000 0.003 0.000 1.071 82 I HN 0.123 nan 8.210 nan 0.000 0.419 83 L N 1.190 122.412 121.223 -0.001 0.000 2.079 83 L HA -0.202 4.139 4.340 0.001 0.000 0.210 83 L C 2.875 179.740 176.870 -0.009 0.000 1.081 83 L CA 1.509 56.345 54.840 -0.006 0.000 0.752 83 L CB -0.561 41.495 42.059 -0.006 0.000 0.896 83 L HN 0.347 nan 8.230 nan 0.000 0.433 84 A N -0.295 122.522 122.820 -0.004 0.000 1.877 84 A HA -0.221 4.099 4.320 0.001 0.000 0.216 84 A C 2.465 180.044 177.584 -0.009 0.000 1.186 84 A CA 1.797 53.831 52.037 -0.005 0.000 0.620 84 A CB -0.746 18.256 19.000 0.005 0.000 0.822 84 A HN 0.467 nan 8.150 nan 0.000 0.443 85 A N -0.180 122.637 122.820 -0.004 0.000 1.933 85 A HA -0.057 4.264 4.320 0.001 0.000 0.218 85 A C 1.996 179.569 177.584 -0.019 0.000 1.175 85 A CA 1.620 53.651 52.037 -0.009 0.000 0.628 85 A CB -0.496 18.503 19.000 -0.001 0.000 0.814 85 A HN 0.403 nan 8.150 nan 0.000 0.444 86 I N -0.069 120.490 120.570 -0.018 0.000 2.163 86 I HA -0.213 3.957 4.170 0.001 0.000 0.243 86 I C 2.466 178.564 176.117 -0.032 0.000 1.085 86 I CA 1.546 62.833 61.300 -0.023 0.000 1.347 86 I CB -1.331 36.658 38.000 -0.019 0.000 1.044 86 I HN 0.348 nan 8.210 nan 0.000 0.408 87 R N 0.575 121.056 120.500 -0.033 0.000 2.237 87 R HA -0.091 4.249 4.340 0.001 0.000 0.219 87 R C 2.304 178.567 176.300 -0.062 0.000 1.080 87 R CA 1.309 57.383 56.100 -0.044 0.000 0.995 87 R CB -0.252 30.026 30.300 -0.037 0.000 0.875 87 R HN 0.493 nan 8.270 nan 0.000 0.462 88 S N 0.351 116.017 115.700 -0.057 0.000 2.481 88 S HA -0.006 4.464 4.470 0.001 0.000 0.231 88 S C 1.877 176.427 174.600 -0.083 0.000 0.996 88 S CA 0.486 58.640 58.200 -0.076 0.000 0.942 88 S CB -0.117 63.052 63.200 -0.052 0.000 0.768 88 S HN 0.224 nan 8.310 nan 0.000 0.520 89 L N 0.886 122.070 121.223 -0.065 0.000 2.095 89 L HA 0.119 4.460 4.340 0.001 0.000 0.204 89 L C -0.708 176.125 176.870 -0.061 0.000 1.080 89 L CA 0.671 55.476 54.840 -0.058 0.000 0.759 89 L CB -1.645 40.387 42.059 -0.044 0.000 0.914 89 L HN 0.249 nan 8.230 nan 0.000 0.439 90 P HA -0.082 nan 4.420 nan 0.000 0.221 90 P C 1.771 179.020 177.300 -0.085 0.000 1.150 90 P CA 1.207 64.269 63.100 -0.064 0.000 0.800 90 P CB 0.108 31.771 31.700 -0.060 0.000 0.787 91 I N -1.265 119.226 120.570 -0.131 0.000 2.202 91 I HA -0.210 3.960 4.170 0.001 0.000 0.242 91 I C 2.195 178.230 176.117 -0.137 0.000 1.091 91 I CA 1.308 62.483 61.300 -0.209 0.000 1.368 91 I CB -0.624 37.148 38.000 -0.379 0.000 1.058 91 I HN -0.118 nan 8.210 nan 0.000 0.410 92 L N 0.278 121.440 121.223 -0.102 0.000 2.131 92 L HA -0.240 4.100 4.340 0.001 0.000 0.210 92 L C 2.130 178.982 176.870 -0.030 0.000 1.092 92 L CA 1.287 56.090 54.840 -0.062 0.000 0.759 92 L CB -0.472 41.551 42.059 -0.060 0.000 0.903 92 L HN 0.260 nan 8.230 nan 0.000 0.435 93 D N -0.280 120.101 120.400 -0.033 0.000 2.103 93 D HA -0.134 4.506 4.640 0.001 0.000 0.199 93 D C 2.180 178.485 176.300 0.007 0.000 0.978 93 D CA 1.306 55.297 54.000 -0.015 0.000 0.829 93 D CB 0.130 40.916 40.800 -0.023 0.000 0.981 93 D HN 0.227 nan 8.370 nan 0.000 0.464 94 A N 0.016 122.839 122.820 0.005 0.000 1.969 94 A HA -0.108 4.212 4.320 0.001 0.000 0.218 94 A C 2.305 179.944 177.584 0.091 0.000 1.169 94 A CA 1.124 53.181 52.037 0.034 0.000 0.635 94 A CB -0.548 18.462 19.000 0.017 0.000 0.810 94 A HN 0.260 nan 8.150 nan 0.000 0.445 95 M N -1.333 118.319 119.600 0.087 0.000 2.108 95 M HA -0.148 4.333 4.480 0.001 0.000 0.261 95 M C 2.123 178.582 176.300 0.265 0.000 1.066 95 M CA 1.389 56.792 55.300 0.171 0.000 1.107 95 M CB -0.368 32.276 32.600 0.072 0.000 1.356 95 M HN 0.451 nan 8.290 nan 0.000 0.406 96 L N 0.213 121.523 121.223 0.144 0.000 2.156 96 L HA -0.093 4.247 4.340 0.001 0.000 0.208 96 L C 2.591 179.511 176.870 0.083 0.000 1.095 96 L CA 1.906 56.810 54.840 0.107 0.000 0.770 96 L CB -0.593 41.493 42.059 0.046 0.000 0.914 96 L HN 0.328 nan 8.230 nan 0.000 0.439 97 S N -1.662 114.087 115.700 0.081 0.000 2.461 97 S HA -0.069 4.402 4.470 0.001 0.000 0.228 97 S C 1.952 176.609 174.600 0.095 0.000 1.005 97 S CA 0.187 58.422 58.200 0.058 0.000 0.942 97 S CB -0.452 62.769 63.200 0.036 0.000 0.776 97 S HN 0.459 nan 8.310 nan 0.000 0.514 98 R N 0.782 121.397 120.500 0.191 0.000 2.313 98 R HA 0.213 4.553 4.340 0.001 0.000 0.199 98 R C 1.386 177.843 176.300 0.262 0.000 0.958 98 R CA 0.474 56.744 56.100 0.284 0.000 1.047 98 R CB -0.229 30.349 30.300 0.463 0.000 0.955 98 R HN 0.647 nan 8.270 nan 0.000 0.481 99 G N 0.286 109.154 108.800 0.113 0.000 2.175 99 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 99 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 99 G C -0.081 174.655 174.900 -0.274 0.000 0.982 99 G CA -0.513 44.485 45.100 -0.170 0.000 0.641 99 G HN 0.217 nan 8.290 nan 0.000 0.527 100 F N 2.177 122.208 119.950 0.135 0.000 2.404 100 F HA 0.465 4.992 4.527 0.001 0.000 0.359 100 F C 1.799 177.621 175.800 0.037 0.000 1.134 100 F CA 0.536 58.614 58.000 0.130 0.000 1.160 100 F CB 1.441 40.546 39.000 0.174 0.000 1.186 100 F HN 0.106 nan 8.300 nan 0.000 0.526 101 T N -2.392 112.234 114.554 0.120 0.000 3.015 101 T HA 0.198 4.548 4.350 0.001 0.000 0.250 101 T C 0.560 175.298 174.700 0.063 0.000 1.057 101 T CA -0.019 62.108 62.100 0.046 0.000 1.066 101 T CB 0.161 69.011 68.868 -0.029 0.000 0.959 101 T HN 0.303 nan 8.240 nan 0.000 0.488 102 S N 0.945 116.730 115.700 0.141 0.000 2.547 102 S HA 0.706 5.176 4.470 0.001 0.000 0.281 102 S C -0.767 173.971 174.600 0.228 0.000 1.118 102 S CA -0.771 57.514 58.200 0.143 0.000 0.947 102 S CB 2.166 65.524 63.200 0.264 0.000 1.053 102 S HN 0.592 nan 8.310 nan 0.000 0.482 103 V N 1.135 121.137 119.914 0.147 0.000 2.914 103 V HA 0.755 4.876 4.120 0.001 0.000 0.314 103 V C -0.598 175.623 176.094 0.212 0.000 1.084 103 V CA -1.215 61.184 62.300 0.164 0.000 0.963 103 V CB 1.884 33.742 31.823 0.058 0.000 1.025 103 V HN 0.862 nan 8.190 nan 0.000 0.432 104 R N 1.635 122.245 120.500 0.183 0.000 2.288 104 R HA 0.460 4.800 4.340 0.001 0.000 0.326 104 R C -0.965 175.324 176.300 -0.019 0.000 0.959 104 R CA -0.358 55.837 56.100 0.158 0.000 0.834 104 R CB 1.083 31.472 30.300 0.148 0.000 1.157 104 R HN 1.027 nan 8.270 nan 0.000 0.470 105 D N 2.359 122.727 120.400 -0.053 0.000 2.304 105 D HA 0.254 4.894 4.640 0.001 0.000 0.247 105 D C 0.248 176.386 176.300 -0.270 0.000 1.089 105 D CA 0.171 54.061 54.000 -0.184 0.000 0.910 105 D CB 1.545 42.278 40.800 -0.112 0.000 1.199 105 D HN 0.611 nan 8.370 nan 0.000 0.426 106 A N 2.500 124.998 122.820 -0.537 0.000 2.470 106 A HA 0.595 4.915 4.320 0.001 0.000 0.251 106 A C 0.533 178.016 177.584 -0.167 0.000 1.245 106 A CA 0.355 52.091 52.037 -0.501 0.000 0.932 106 A CB -0.004 18.372 19.000 -1.040 0.000 1.037 106 A HN 0.646 nan 8.150 nan 0.000 0.522 107 G N -2.339 106.411 108.800 -0.085 0.000 2.026 107 G HA2 0.542 4.502 3.960 0.001 0.000 0.208 107 G HA3 0.542 4.502 3.960 0.001 0.000 0.208 107 G C 0.309 175.329 174.900 0.199 0.000 1.640 107 G CA 0.486 45.671 45.100 0.142 0.000 0.946 107 G HN 1.700 nan 8.290 nan 0.000 0.709 108 G N 0.672 109.536 108.800 0.108 0.000 2.906 108 G HA2 0.430 4.391 3.960 0.001 0.000 0.196 108 G HA3 0.430 4.391 3.960 0.001 0.000 0.196 108 G C 1.013 175.946 174.900 0.054 0.000 2.215 108 G CA 1.223 46.378 45.100 0.092 0.000 1.518 108 G HN 2.436 nan 8.290 nan 0.000 0.495 109 A N 1.635 124.473 122.820 0.030 0.000 2.445 109 A HA 0.551 4.872 4.320 0.001 0.000 0.242 109 A C 0.481 178.082 177.584 0.028 0.000 1.075 109 A CA 1.373 53.419 52.037 0.014 0.000 0.777 109 A CB 0.048 19.038 19.000 -0.016 0.000 1.013 109 A HN 1.151 nan 8.150 nan 0.000 0.493 110 D N 0.017 120.442 120.400 0.042 0.000 2.808 110 D HA 0.101 4.741 4.640 0.001 0.000 0.249 110 D C 0.606 176.978 176.300 0.121 0.000 1.151 110 D CA -0.604 53.451 54.000 0.092 0.000 1.089 110 D CB -0.345 40.525 40.800 0.117 0.000 1.295 110 D HN 0.504 nan 8.370 nan 0.000 0.631 111 W N 0.527 121.821 121.300 -0.010 0.000 2.425 111 W HA -0.038 4.622 4.660 0.001 0.000 0.277 111 W C 1.974 178.483 176.519 -0.017 0.000 1.231 111 W CA 1.899 59.237 57.345 -0.013 0.000 1.248 111 W CB 0.024 29.481 29.460 -0.005 0.000 1.117 111 W HN 0.266 nan 8.180 nan 0.000 0.568 112 S N 0.664 116.485 115.700 0.202 0.000 2.355 112 S HA -0.184 4.286 4.470 0.001 0.000 0.222 112 S C 1.849 176.397 174.600 -0.087 0.000 1.031 112 S CA 1.413 59.657 58.200 0.073 0.000 0.993 112 S CB -0.792 62.486 63.200 0.130 0.000 0.859 112 S HN 0.244 nan 8.310 nan 0.000 0.453 113 L N 1.028 122.214 121.223 -0.061 0.000 2.201 113 L HA -0.001 4.339 4.340 0.001 0.000 0.212 113 L C 2.563 179.336 176.870 -0.161 0.000 1.105 113 L CA 0.851 55.635 54.840 -0.093 0.000 0.775 113 L CB -0.368 41.656 42.059 -0.058 0.000 0.913 113 L HN 0.397 nan 8.230 nan 0.000 0.440 114 M N -0.802 118.670 119.600 -0.213 0.000 2.159 114 M HA -0.226 4.254 4.480 0.001 0.000 0.263 114 M C 2.140 178.212 176.300 -0.381 0.000 1.063 114 M CA 1.706 56.827 55.300 -0.298 0.000 1.110 114 M CB -0.027 32.379 32.600 -0.323 0.000 1.374 114 M HN 0.287 nan 8.290 nan 0.000 0.411 115 Q N -0.485 119.012 119.800 -0.506 0.000 2.212 115 Q HA 0.042 4.383 4.340 0.001 0.000 0.199 115 Q C 2.076 177.909 176.000 -0.280 0.000 0.950 115 Q CA 1.312 56.820 55.803 -0.492 0.000 0.863 115 Q CB -0.314 27.974 28.738 -0.751 0.000 0.944 115 Q HN 0.645 nan 8.270 nan 0.000 0.465 116 A N 1.208 123.899 122.820 -0.216 0.000 1.933 116 A HA -0.141 4.180 4.320 0.001 0.000 0.218 116 A C 2.315 179.828 177.584 -0.120 0.000 1.175 116 A CA 1.895 53.852 52.037 -0.135 0.000 0.628 116 A CB -0.709 18.231 19.000 -0.099 0.000 0.814 116 A HN 0.274 nan 8.150 nan 0.000 0.444 117 V N -2.587 117.246 119.914 -0.136 0.000 2.488 117 V HA -0.120 4.000 4.120 0.001 0.000 0.246 117 V C 1.861 177.884 176.094 -0.120 0.000 1.046 117 V CA 1.962 64.192 62.300 -0.117 0.000 1.053 117 V CB -0.977 30.774 31.823 -0.121 0.000 0.679 117 V HN 0.545 nan 8.190 nan 0.000 0.458 118 E N 1.171 121.280 120.200 -0.152 0.000 2.274 118 E HA -0.099 4.252 4.350 0.001 0.000 0.194 118 E C 2.208 178.742 176.600 -0.111 0.000 0.996 118 E CA 1.539 57.854 56.400 -0.141 0.000 0.840 118 E CB -0.093 29.500 29.700 -0.179 0.000 0.772 118 E HN 0.899 nan 8.360 nan 0.000 0.491 119 T N -3.598 110.890 114.554 -0.110 0.000 3.081 119 T HA 0.223 4.573 4.350 0.001 0.000 0.250 119 T C 1.468 176.131 174.700 -0.061 0.000 1.100 119 T CA 0.451 62.503 62.100 -0.080 0.000 1.038 119 T CB 0.692 69.513 68.868 -0.078 0.000 0.962 119 T HN 0.202 nan 8.240 nan 0.000 0.516 120 G N 0.904 109.665 108.800 -0.066 0.000 2.141 120 G HA2 -0.215 3.745 3.960 0.001 0.000 0.242 120 G HA3 -0.215 3.745 3.960 0.001 0.000 0.242 120 G C 0.448 175.321 174.900 -0.046 0.000 0.982 120 G CA 0.238 45.307 45.100 -0.051 0.000 0.662 120 G HN 0.486 nan 8.290 nan 0.000 0.527 121 L N -0.035 121.156 121.223 -0.052 0.000 2.341 121 L HA 0.515 4.855 4.340 0.001 0.000 0.214 121 L C 0.988 177.832 176.870 -0.044 0.000 1.115 121 L CA 0.936 55.749 54.840 -0.044 0.000 0.820 121 L CB 0.477 42.509 42.059 -0.046 0.000 0.944 121 L HN 0.191 nan 8.230 nan 0.000 0.452 122 V N -0.995 118.887 119.914 -0.053 0.000 2.638 122 V HA 0.309 4.429 4.120 0.001 0.000 0.306 122 V C -0.179 175.885 176.094 -0.050 0.000 1.052 122 V CA -0.780 61.490 62.300 -0.051 0.000 0.885 122 V CB 1.848 33.636 31.823 -0.058 0.000 0.999 122 V HN 0.031 nan 8.190 nan 0.000 0.424 123 S N 3.237 118.913 115.700 -0.040 0.000 2.430 123 S HA 0.706 5.176 4.470 0.001 0.000 0.282 123 S C 0.207 174.785 174.600 -0.036 0.000 1.186 123 S CA 0.571 58.750 58.200 -0.034 0.000 1.060 123 S CB -0.249 62.935 63.200 -0.026 0.000 0.966 123 S HN 1.408 nan 8.310 nan 0.000 0.501 124 G N 4.886 113.664 108.800 -0.036 0.000 2.328 124 G HA2 0.404 4.364 3.960 0.001 0.000 0.295 124 G HA3 0.404 4.364 3.960 0.001 0.000 0.295 124 G C -3.554 171.325 174.900 -0.036 0.000 1.413 124 G CA -0.886 44.194 45.100 -0.033 0.000 0.817 124 G HN 0.474 nan 8.290 nan 0.000 0.546 125 P HA 0.288 nan 4.420 nan 0.000 0.274 125 P C -0.400 176.841 177.300 -0.098 0.000 1.246 125 P CA -0.506 62.580 63.100 -0.023 0.000 0.795 125 P CB 0.890 32.614 31.700 0.040 0.000 1.006 126 R N 2.108 122.521 120.500 -0.145 0.000 2.343 126 R HA 0.213 4.554 4.340 0.001 0.000 0.326 126 R C -0.208 175.818 176.300 -0.457 0.000 1.055 126 R CA -0.175 55.749 56.100 -0.294 0.000 0.961 126 R CB -0.889 29.219 30.300 -0.320 0.000 0.978 126 R HN 0.390 nan 8.270 nan 0.000 0.443 127 I N 5.799 126.131 120.570 -0.397 0.000 2.395 127 I HA 0.125 4.295 4.170 0.001 0.000 0.289 127 I C -0.358 175.485 176.117 -0.457 0.000 1.023 127 I CA -0.263 60.844 61.300 -0.323 0.000 1.350 127 I CB 0.790 38.685 38.000 -0.174 0.000 1.409 127 I HN 0.526 nan 8.210 nan 0.000 0.507 128 F N 7.767 127.705 119.950 -0.021 0.000 2.309 128 F HA 0.336 4.863 4.527 0.000 0.000 0.366 128 F C -2.034 173.746 175.800 -0.034 0.000 1.104 128 F CA -2.250 55.740 58.000 -0.016 0.000 1.179 128 F CB 0.417 39.420 39.000 0.006 0.000 1.437 128 F HN 0.242 nan 8.300 nan 0.000 0.528 129 P HA 0.190 nan 4.420 nan 0.000 0.282 129 P C -0.074 177.242 177.300 0.025 0.000 1.249 129 P CA -0.399 62.724 63.100 0.037 0.000 0.806 129 P CB 2.016 33.736 31.700 0.033 0.000 0.984 130 S N 0.778 116.472 115.700 -0.010 0.000 2.524 130 S HA 0.290 4.761 4.470 0.001 0.000 0.215 130 S C 1.309 175.907 174.600 -0.002 0.000 0.986 130 S CA 0.487 58.670 58.200 -0.029 0.000 0.911 130 S CB -0.430 62.738 63.200 -0.054 0.000 0.805 130 S HN 0.879 nan 8.310 nan 0.000 0.501 131 G N 2.387 111.198 108.800 0.019 0.000 2.720 131 G HA2 -0.244 3.716 3.960 0.001 0.000 0.293 131 G HA3 -0.244 3.716 3.960 0.001 0.000 0.293 131 G C -0.494 174.429 174.900 0.037 0.000 1.256 131 G CA 0.031 45.153 45.100 0.036 0.000 0.974 131 G HN 0.355 nan 8.290 nan 0.000 0.551 132 K N 1.565 121.984 120.400 0.031 0.000 2.207 132 K HA 0.758 5.078 4.320 0.001 0.000 0.255 132 K C 0.493 177.115 176.600 0.036 0.000 0.941 132 K CA 0.091 56.401 56.287 0.038 0.000 0.825 132 K CB 1.751 34.266 32.500 0.025 0.000 1.119 132 K HN 1.054 nan 8.250 nan 0.000 0.430 133 A N 3.180 126.034 122.820 0.057 0.000 2.386 133 A HA 0.390 4.710 4.320 0.001 0.000 0.248 133 A C -0.036 177.585 177.584 0.060 0.000 1.082 133 A CA -0.354 51.722 52.037 0.065 0.000 0.789 133 A CB 0.158 19.216 19.000 0.097 0.000 1.025 133 A HN 0.631 nan 8.150 nan 0.000 0.490 134 L N 1.642 122.916 121.223 0.085 0.000 2.282 134 L HA 0.538 4.879 4.340 0.001 0.000 0.288 134 L C 0.379 177.403 176.870 0.257 0.000 1.033 134 L CA -0.173 54.748 54.840 0.135 0.000 0.807 134 L CB 1.409 43.519 42.059 0.085 0.000 1.209 134 L HN 0.706 nan 8.230 nan 0.000 0.423 135 S N 2.100 117.912 115.700 0.186 0.000 2.548 135 S HA 0.459 4.930 4.470 0.001 0.000 0.286 135 S C -0.675 173.839 174.600 -0.142 0.000 1.098 135 S CA -0.761 57.463 58.200 0.039 0.000 0.930 135 S CB 1.894 65.039 63.200 -0.092 0.000 1.070 135 S HN 0.655 nan 8.310 nan 0.000 0.480 136 Q N 1.605 121.101 119.800 -0.507 0.000 2.407 136 Q HA 0.455 4.795 4.340 0.001 0.000 0.214 136 Q C -0.393 175.456 176.000 -0.251 0.000 1.043 136 Q CA -0.574 54.929 55.803 -0.500 0.000 0.983 136 Q CB -0.262 28.060 28.738 -0.694 0.000 1.211 136 Q HN 0.472 nan 8.270 nan 0.000 0.564 137 T N 1.060 115.504 114.554 -0.182 0.000 2.829 137 T HA 0.315 4.666 4.350 0.001 0.000 0.293 137 T C 1.041 175.667 174.700 -0.123 0.000 0.970 137 T CA 0.892 62.917 62.100 -0.125 0.000 1.168 137 T CB -0.128 68.689 68.868 -0.086 0.000 0.911 137 T HN 0.953 nan 8.240 nan 0.000 0.535 138 G N 2.858 111.589 108.800 -0.116 0.000 2.162 138 G HA2 -0.191 3.769 3.960 0.001 0.000 0.260 138 G HA3 -0.191 3.769 3.960 0.001 0.000 0.260 138 G C 0.607 175.441 174.900 -0.109 0.000 0.976 138 G CA 0.025 45.066 45.100 -0.098 0.000 0.655 138 G HN 1.116 nan 8.290 nan 0.000 0.533 139 G N -1.401 107.309 108.800 -0.150 0.000 2.489 139 G HA2 0.384 4.344 3.960 0.001 0.000 0.271 139 G HA3 0.384 4.344 3.960 0.001 0.000 0.271 139 G C 0.740 175.576 174.900 -0.106 0.000 1.427 139 G CA 0.660 45.682 45.100 -0.130 0.000 1.057 139 G HN 0.511 nan 8.290 nan 0.000 0.532 140 H N -0.786 118.174 119.070 -0.183 0.000 2.462 140 H HA 0.026 4.582 4.556 0.000 0.000 0.292 140 H C 2.364 177.457 175.328 -0.390 0.000 1.049 140 H CA 1.662 57.583 56.048 -0.211 0.000 1.334 140 H CB -0.230 29.408 29.762 -0.208 0.000 1.404 140 H HN 0.398 nan 8.280 nan 0.000 0.544 141 G N -0.913 107.584 108.800 -0.505 0.000 3.088 141 G HA2 -0.037 3.924 3.960 0.001 0.000 0.217 141 G HA3 -0.037 3.924 3.960 0.001 0.000 0.217 141 G C -0.107 174.182 174.900 -1.018 0.000 1.159 141 G CA -0.099 44.533 45.100 -0.780 0.000 0.760 141 G HN 0.281 nan 8.290 nan 0.000 0.550 142 D N 0.352 120.295 120.400 -0.761 0.000 2.396 142 D HA 0.266 4.906 4.640 0.001 0.000 0.225 142 D C -0.092 175.895 176.300 -0.521 0.000 1.121 142 D CA -0.616 53.071 54.000 -0.521 0.000 0.853 142 D CB 0.667 41.312 40.800 -0.259 0.000 1.043 142 D HN 0.083 nan 8.370 nan 0.000 0.500 143 F N 1.791 121.714 119.950 -0.044 0.000 2.727 143 F HA 0.244 4.772 4.527 0.001 0.000 0.302 143 F C 1.339 177.127 175.800 -0.020 0.000 1.097 143 F CA -0.426 57.554 58.000 -0.034 0.000 1.330 143 F CB 0.000 38.975 39.000 -0.042 0.000 1.084 143 F HN -0.032 nan 8.300 nan 0.000 0.578 144 R N 2.886 123.438 120.500 0.087 0.000 2.538 144 R HA 0.079 4.419 4.340 0.001 0.000 0.282 144 R C -2.064 174.263 176.300 0.045 0.000 1.009 144 R CA -1.249 54.884 56.100 0.055 0.000 1.063 144 R CB -0.334 29.976 30.300 0.017 0.000 0.945 144 R HN 0.004 nan 8.270 nan 0.000 0.414 145 P HA 0.015 nan 4.420 nan 0.000 0.275 145 P C -0.110 177.202 177.300 0.020 0.000 1.270 145 P CA -0.314 62.807 63.100 0.036 0.000 0.791 145 P CB 0.607 32.327 31.700 0.033 0.000 1.089 146 R N -0.209 120.301 120.500 0.017 0.000 2.285 146 R HA -0.045 4.295 4.340 0.001 0.000 0.213 146 R C 2.105 178.409 176.300 0.006 0.000 1.068 146 R CA 1.554 57.659 56.100 0.009 0.000 1.004 146 R CB -1.114 29.191 30.300 0.009 0.000 0.873 146 R HN 0.672 nan 8.270 nan 0.000 0.467 147 G N -0.229 108.576 108.800 0.009 0.000 2.705 147 G HA2 -0.160 3.800 3.960 0.001 0.000 0.214 147 G HA3 -0.160 3.800 3.960 0.001 0.000 0.214 147 G C 0.037 174.940 174.900 0.005 0.000 1.321 147 G CA 0.937 46.041 45.100 0.007 0.000 0.826 147 G HN 0.337 nan 8.290 nan 0.000 0.595 148 D N -1.825 118.579 120.400 0.006 0.000 2.596 148 D HA 0.533 5.173 4.640 0.001 0.000 0.262 148 D C -1.117 175.184 176.300 0.002 0.000 1.210 148 D CA -0.453 53.549 54.000 0.003 0.000 0.873 148 D CB 1.819 42.622 40.800 0.004 0.000 1.408 148 D HN 0.045 nan 8.370 nan 0.000 0.441 149 L N 1.453 122.676 121.223 -0.001 0.000 2.372 149 L HA 0.544 4.884 4.340 0.001 0.000 0.274 149 L C -0.719 176.151 176.870 -0.001 0.000 0.988 149 L CA -0.536 54.302 54.840 -0.003 0.000 0.833 149 L CB 1.621 43.674 42.059 -0.010 0.000 1.236 149 L HN 0.093 nan 8.230 nan 0.000 0.410 150 L N 2.280 123.505 121.223 0.002 0.000 2.354 150 L HA 0.451 4.791 4.340 0.001 0.000 0.269 150 L C 0.060 176.932 176.870 0.002 0.000 1.005 150 L CA -0.763 54.079 54.840 0.004 0.000 0.819 150 L CB 2.433 44.498 42.059 0.010 0.000 1.311 150 L HN 0.540 nan 8.230 nan 0.000 0.423 151 E N 3.419 123.620 120.200 0.001 0.000 2.292 151 E HA 0.098 4.448 4.350 0.001 0.000 0.265 151 E C -2.094 174.506 176.600 -0.001 0.000 1.093 151 E CA -1.348 55.049 56.400 -0.005 0.000 0.922 151 E CB 0.257 29.953 29.700 -0.006 0.000 1.001 151 E HN 0.240 nan 8.360 nan 0.000 0.444 152 P HA 0.072 nan 4.420 nan 0.000 0.274 152 P C 0.583 177.860 177.300 -0.039 0.000 1.504 152 P CA -0.399 62.699 63.100 -0.003 0.000 1.011 152 P CB 0.044 31.744 31.700 0.001 0.000 1.366 153 C N 0.807 120.094 119.300 -0.023 0.000 2.419 153 C HA -0.117 4.343 4.460 0.001 0.000 0.283 153 C C 2.406 177.226 174.990 -0.284 0.000 1.373 153 C CA 0.733 59.675 59.018 -0.126 0.000 1.781 153 C CB -1.898 25.881 27.740 0.065 0.000 1.886 153 C HN 0.527 nan 8.230 nan 0.000 0.520 154 S N 0.549 116.253 115.700 0.006 0.000 2.440 154 S HA -0.246 4.224 4.470 0.001 0.000 0.240 154 S C 1.668 176.246 174.600 -0.037 0.000 1.014 154 S CA 1.669 59.917 58.200 0.080 0.000 0.980 154 S CB -1.601 61.664 63.200 0.108 0.000 0.775 154 S HN 0.804 nan 8.310 nan 0.000 0.499 155 C N 1.141 120.372 119.300 -0.114 0.000 2.385 155 C HA -0.172 4.288 4.460 0.001 0.000 0.275 155 C C 2.923 177.849 174.990 -0.106 0.000 1.207 155 C CA 1.050 60.014 59.018 -0.091 0.000 1.760 155 C CB -1.720 25.957 27.740 -0.105 0.000 2.051 155 C HN 0.813 nan 8.230 nan 0.000 0.467 156 C N -1.627 117.522 119.300 -0.251 0.000 2.735 156 C HA 0.234 4.694 4.460 0.001 0.000 0.271 156 C C 2.161 177.138 174.990 -0.023 0.000 1.281 156 C CA -0.238 58.672 59.018 -0.179 0.000 1.719 156 C CB -1.642 25.939 27.740 -0.264 0.000 2.024 156 C HN 0.581 nan 8.230 nan 0.000 0.566 157 F N 0.795 120.757 119.950 0.021 0.000 2.317 157 F HA 0.100 4.627 4.527 0.000 0.000 0.293 157 F C 1.458 177.270 175.800 0.020 0.000 1.085 157 F CA 0.008 58.019 58.000 0.018 0.000 1.390 157 F CB -0.016 38.992 39.000 0.014 0.000 1.077 157 F HN -0.024 nan 8.300 nan 0.000 0.517 158 R N 1.404 122.015 120.500 0.185 0.000 2.442 158 R HA 0.050 4.391 4.340 0.001 0.000 0.291 158 R C 1.195 177.549 176.300 0.090 0.000 1.069 158 R CA 0.286 56.455 56.100 0.114 0.000 1.022 158 R CB 0.118 30.468 30.300 0.084 0.000 0.976 158 R HN 0.192 nan 8.270 nan 0.000 0.443 159 T N -1.493 113.107 114.554 0.076 0.000 3.043 159 T HA -0.016 4.334 4.350 0.001 0.000 0.263 159 T C 1.567 176.297 174.700 0.051 0.000 1.094 159 T CA 0.840 62.978 62.100 0.064 0.000 1.127 159 T CB 0.203 69.103 68.868 0.055 0.000 0.905 159 T HN 0.583 nan 8.240 nan 0.000 0.490 160 G N 0.832 109.658 108.800 0.043 0.000 2.985 160 G HA2 0.496 4.457 3.960 0.001 0.000 0.209 160 G HA3 0.496 4.457 3.960 0.001 0.000 0.209 160 G C 0.525 175.444 174.900 0.032 0.000 1.165 160 G CA -0.021 45.096 45.100 0.029 0.000 0.776 160 G HN 0.797 nan 8.290 nan 0.000 0.541 161 A N 0.856 123.709 122.820 0.054 0.000 2.409 161 A HA 0.519 4.839 4.320 0.001 0.000 0.267 161 A C 1.387 179.027 177.584 0.094 0.000 1.127 161 A CA -0.494 51.592 52.037 0.080 0.000 0.795 161 A CB 0.434 19.484 19.000 0.082 0.000 1.061 161 A HN 0.067 nan 8.150 nan 0.000 0.502 162 I N 1.433 122.076 120.570 0.122 0.000 2.202 162 I HA -0.098 4.073 4.170 0.001 0.000 0.242 162 I C 1.522 177.713 176.117 0.124 0.000 1.091 162 I CA 1.954 63.337 61.300 0.137 0.000 1.368 162 I CB -1.546 36.518 38.000 0.107 0.000 1.058 162 I HN 0.659 nan 8.210 nan 0.000 0.410 163 A N 1.120 124.008 122.820 0.114 0.000 2.387 163 A HA 0.743 5.063 4.320 0.001 0.000 0.303 163 A C -0.026 177.569 177.584 0.019 0.000 1.145 163 A CA -0.641 51.422 52.037 0.045 0.000 0.801 163 A CB 1.461 20.446 19.000 -0.025 0.000 1.342 163 A HN 0.338 nan 8.150 nan 0.000 0.440 164 R N -0.263 120.236 120.500 -0.002 0.000 2.740 164 R HA 0.711 5.051 4.340 0.001 0.000 0.282 164 R C -1.752 174.531 176.300 -0.027 0.000 0.969 164 R CA -0.709 55.376 56.100 -0.026 0.000 0.918 164 R CB 1.511 31.789 30.300 -0.036 0.000 1.175 164 R HN 0.268 nan 8.270 nan 0.000 0.464 165 V N 3.090 122.975 119.914 -0.048 0.000 2.348 165 V HA 0.359 4.479 4.120 0.001 0.000 0.270 165 V C -0.068 176.016 176.094 -0.018 0.000 1.037 165 V CA -0.539 61.733 62.300 -0.047 0.000 0.872 165 V CB 0.882 32.659 31.823 -0.077 0.000 1.002 165 V HN 0.637 nan 8.190 nan 0.000 0.464 166 V N 1.631 121.565 119.914 0.035 0.000 2.709 166 V HA 0.794 4.914 4.120 0.001 0.000 0.308 166 V C -1.116 175.049 176.094 0.118 0.000 1.062 166 V CA -0.838 61.501 62.300 0.064 0.000 0.901 166 V CB 2.034 33.901 31.823 0.074 0.000 1.003 166 V HN 0.763 nan 8.190 nan 0.000 0.425 167 D N 1.721 122.165 120.400 0.074 0.000 2.527 167 D HA 0.845 5.485 4.640 0.001 0.000 0.233 167 D C 0.126 176.474 176.300 0.079 0.000 1.063 167 D CA 0.409 54.460 54.000 0.085 0.000 0.880 167 D CB 1.868 42.674 40.800 0.010 0.000 1.457 167 D HN 1.450 nan 8.370 nan 0.000 0.475 168 G N -0.746 108.110 108.800 0.094 0.000 2.788 168 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 168 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 168 G C 0.531 175.467 174.900 0.059 0.000 1.147 168 G CA -0.530 44.607 45.100 0.062 0.000 0.755 168 G HN 0.420 nan 8.290 nan 0.000 0.634 169 V N 1.743 121.682 119.914 0.042 0.000 2.287 169 V HA -0.158 3.962 4.120 0.001 0.000 0.248 169 V C 2.636 178.737 176.094 0.011 0.000 1.053 169 V CA 2.767 65.081 62.300 0.023 0.000 1.027 169 V CB -0.334 31.500 31.823 0.019 0.000 0.646 169 V HN 0.798 nan 8.190 nan 0.000 0.447 170 E N 0.362 120.569 120.200 0.012 0.000 2.208 170 E HA -0.072 4.279 4.350 0.001 0.000 0.193 170 E C 2.310 178.913 176.600 0.006 0.000 0.988 170 E CA 1.165 57.569 56.400 0.006 0.000 0.828 170 E CB -0.577 29.126 29.700 0.006 0.000 0.763 170 E HN 0.623 nan 8.360 nan 0.000 0.478 171 G N 1.627 110.437 108.800 0.015 0.000 2.422 171 G HA2 -0.178 3.782 3.960 0.001 0.000 0.218 171 G HA3 -0.178 3.782 3.960 0.001 0.000 0.218 171 G C 1.778 176.687 174.900 0.016 0.000 1.140 171 G CA 1.227 46.338 45.100 0.018 0.000 0.775 171 G HN 0.311 nan 8.290 nan 0.000 0.545 172 V N -2.160 117.762 119.914 0.014 0.000 3.052 172 V HA 0.263 4.383 4.120 0.001 0.000 0.254 172 V C 2.372 178.445 176.094 -0.035 0.000 1.100 172 V CA 1.160 63.452 62.300 -0.015 0.000 1.112 172 V CB -0.310 31.474 31.823 -0.064 0.000 0.738 172 V HN 0.250 nan 8.190 nan 0.000 0.469 173 R N -0.038 120.448 120.500 -0.024 0.000 2.070 173 R HA -0.075 4.265 4.340 0.001 0.000 0.233 173 R C 2.316 178.604 176.300 -0.020 0.000 1.137 173 R CA 2.077 58.163 56.100 -0.023 0.000 0.945 173 R CB -0.418 29.874 30.300 -0.014 0.000 0.845 173 R HN 0.542 nan 8.270 nan 0.000 0.430 174 L N 0.568 121.783 121.223 -0.013 0.000 2.083 174 L HA -0.094 4.246 4.340 0.001 0.000 0.209 174 L C 2.230 179.091 176.870 -0.016 0.000 1.083 174 L CA 2.032 56.864 54.840 -0.012 0.000 0.752 174 L CB -0.423 41.632 42.059 -0.008 0.000 0.899 174 L HN 0.207 nan 8.230 nan 0.000 0.433 175 A N -1.297 121.513 122.820 -0.016 0.000 1.933 175 A HA -0.130 4.190 4.320 0.001 0.000 0.218 175 A C 2.229 179.799 177.584 -0.024 0.000 1.175 175 A CA 1.894 53.920 52.037 -0.019 0.000 0.628 175 A CB -0.960 18.034 19.000 -0.010 0.000 0.814 175 A HN 0.309 nan 8.150 nan 0.000 0.444 176 V N -0.234 119.661 119.914 -0.031 0.000 2.323 176 V HA -0.225 3.895 4.120 0.001 0.000 0.244 176 V C 2.591 178.668 176.094 -0.029 0.000 1.041 176 V CA 2.128 64.406 62.300 -0.036 0.000 1.025 176 V CB -0.770 31.026 31.823 -0.045 0.000 0.656 176 V HN 0.523 nan 8.190 nan 0.000 0.451 177 R N -0.190 120.295 120.500 -0.025 0.000 2.105 177 R HA -0.187 4.153 4.340 0.001 0.000 0.239 177 R C 2.303 178.588 176.300 -0.023 0.000 1.135 177 R CA 1.707 57.794 56.100 -0.022 0.000 0.967 177 R CB -0.273 30.016 30.300 -0.019 0.000 0.861 177 R HN 0.626 nan 8.270 nan 0.000 0.442 178 E N 0.248 120.435 120.200 -0.022 0.000 2.017 178 E HA -0.188 4.163 4.350 0.001 0.000 0.193 178 E C 1.964 178.551 176.600 -0.022 0.000 0.997 178 E CA 1.013 57.400 56.400 -0.021 0.000 0.804 178 E CB 0.065 29.754 29.700 -0.017 0.000 0.757 178 E HN 0.243 nan 8.360 nan 0.000 0.448 179 E N 0.493 120.682 120.200 -0.019 0.000 2.110 179 E HA -0.169 4.181 4.350 0.001 0.000 0.193 179 E C 2.139 178.731 176.600 -0.013 0.000 0.988 179 E CA 0.713 57.105 56.400 -0.013 0.000 0.804 179 E CB -0.173 29.518 29.700 -0.014 0.000 0.745 179 E HN 0.326 nan 8.360 nan 0.000 0.458 180 I N 1.216 121.773 120.570 -0.021 0.000 2.252 180 I HA -0.318 3.852 4.170 0.001 0.000 0.245 180 I C 2.640 178.739 176.117 -0.031 0.000 1.102 180 I CA 1.441 62.730 61.300 -0.018 0.000 1.385 180 I CB -0.057 37.931 38.000 -0.020 0.000 1.064 180 I HN 0.082 nan 8.210 nan 0.000 0.414 181 Q N 0.980 120.752 119.800 -0.046 0.000 2.230 181 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 181 Q C 1.841 177.766 176.000 -0.126 0.000 0.963 181 Q CA 1.484 57.239 55.803 -0.080 0.000 0.866 181 Q CB -0.365 28.332 28.738 -0.067 0.000 0.931 181 Q HN 0.269 nan 8.270 nan 0.000 0.452 182 K N -0.015 120.335 120.400 -0.085 0.000 2.283 182 K HA 0.060 4.381 4.320 0.001 0.000 0.202 182 K C 0.110 176.654 176.600 -0.093 0.000 1.048 182 K CA 0.721 56.957 56.287 -0.085 0.000 0.948 182 K CB -0.090 32.401 32.500 -0.014 0.000 0.742 182 K HN 0.463 nan 8.250 nan 0.000 0.458 183 G N 0.535 109.309 108.800 -0.044 0.000 3.035 183 G HA2 0.024 3.985 3.960 0.001 0.000 0.214 183 G HA3 0.024 3.985 3.960 0.001 0.000 0.214 183 G C -0.678 174.343 174.900 0.203 0.000 1.063 183 G CA -0.304 44.857 45.100 0.101 0.000 1.109 183 G HN 0.333 nan 8.290 nan 0.000 0.563 184 A N 0.626 123.510 122.820 0.106 0.000 2.350 184 A HA 0.925 5.245 4.320 0.001 0.000 0.324 184 A C 1.224 178.844 177.584 0.060 0.000 1.118 184 A CA 0.570 52.651 52.037 0.073 0.000 0.783 184 A CB 1.161 20.171 19.000 0.016 0.000 1.236 184 A HN 1.527 nan 8.150 nan 0.000 0.457 185 T N -0.983 113.607 114.554 0.059 0.000 3.009 185 T HA 0.161 4.511 4.350 0.001 0.000 0.258 185 T C 0.589 175.231 174.700 -0.097 0.000 1.063 185 T CA 0.982 63.115 62.100 0.054 0.000 1.139 185 T CB -0.123 68.852 68.868 0.179 0.000 0.890 185 T HN 0.899 nan 8.240 nan 0.000 0.471 186 Q N 0.111 119.798 119.800 -0.189 0.000 2.462 186 Q HA 0.496 4.836 4.340 0.001 0.000 0.285 186 Q C -1.473 174.359 176.000 -0.281 0.000 1.035 186 Q CA -1.053 54.482 55.803 -0.447 0.000 0.799 186 Q CB 1.317 29.479 28.738 -0.960 0.000 1.452 186 Q HN 0.141 nan 8.270 nan 0.000 0.404 190 M N 2.760 122.539 119.600 0.298 0.000 2.066 190 M HA 0.515 4.996 4.480 0.001 0.000 0.340 190 M C 0.517 177.026 176.300 0.348 0.000 1.053 190 M CA -0.352 55.140 55.300 0.320 0.000 0.983 190 M CB 0.791 33.525 32.600 0.224 0.000 1.520 190 M HN 0.919 nan 8.290 nan 0.000 0.428 191 A N 2.452 125.452 122.820 0.300 0.000 2.303 191 A HA 0.359 4.679 4.320 0.001 0.000 0.217 191 A C 0.879 178.561 177.584 0.163 0.000 1.205 191 A CA 0.676 52.845 52.037 0.221 0.000 0.875 191 A CB 0.277 19.363 19.000 0.143 0.000 0.910 191 A HN 0.800 nan 8.150 nan 0.000 0.501 192 S N -2.412 113.404 115.700 0.194 0.000 2.790 192 S HA 0.643 5.113 4.470 0.001 0.000 0.292 192 S C 0.365 175.071 174.600 0.176 0.000 1.197 192 S CA -0.157 58.123 58.200 0.134 0.000 0.851 192 S CB 0.377 63.618 63.200 0.069 0.000 1.217 192 S HN 0.940 nan 8.310 nan 0.000 0.526 193 G N -0.905 107.964 108.800 0.115 0.000 2.651 193 G HA2 0.567 4.528 3.960 0.001 0.000 0.260 193 G HA3 0.567 4.528 3.960 0.001 0.000 0.260 193 G C 0.350 175.323 174.900 0.121 0.000 1.216 193 G CA -0.092 45.054 45.100 0.077 0.000 0.913 193 G HN 1.251 nan 8.290 nan 0.000 0.535 194 G N -2.313 106.428 108.800 -0.099 0.000 3.107 194 G HA2 0.451 4.411 3.960 0.001 0.000 0.233 194 G HA3 0.451 4.411 3.960 0.001 0.000 0.233 194 G C 0.034 174.941 174.900 0.011 0.000 1.168 194 G CA 0.508 45.528 45.100 -0.133 0.000 0.801 194 G HN 0.712 nan 8.290 nan 0.000 0.605 195 V N 0.088 120.092 119.914 0.151 0.000 2.996 195 V HA 0.361 4.482 4.120 0.001 0.000 0.235 195 V C 2.107 178.322 176.094 0.202 0.000 1.205 195 V CA 1.219 63.605 62.300 0.144 0.000 1.225 195 V CB 0.631 32.555 31.823 0.170 0.000 0.995 195 V HN 0.801 nan 8.190 nan 0.000 0.484 196 A N 1.291 124.296 122.820 0.308 0.000 2.734 196 A HA 0.541 4.862 4.320 0.001 0.000 0.279 196 A C 0.596 178.366 177.584 0.311 0.000 1.386 196 A CA 0.383 52.559 52.037 0.233 0.000 0.987 196 A CB -0.657 18.433 19.000 0.149 0.000 1.041 196 A HN 0.544 nan 8.150 nan 0.000 0.569 197 S N -1.378 114.518 115.700 0.326 0.000 2.599 197 S HA 0.730 5.200 4.470 0.001 0.000 0.287 197 S C -2.395 172.318 174.600 0.190 0.000 1.105 197 S CA -1.198 57.188 58.200 0.309 0.000 0.899 197 S CB 2.034 65.417 63.200 0.304 0.000 1.100 197 S HN 0.072 nan 8.310 nan 0.000 0.482 198 P HA 0.119 nan 4.420 nan 0.000 0.216 198 P C 1.141 178.474 177.300 0.055 0.000 1.151 198 P CA 1.147 64.303 63.100 0.094 0.000 0.863 198 P CB -0.346 31.410 31.700 0.093 0.000 0.790 199 T N -2.453 112.122 114.554 0.034 0.000 3.163 199 T HA 0.130 4.480 4.350 0.001 0.000 0.252 199 T C 0.022 174.726 174.700 0.007 0.000 1.056 199 T CA -0.440 61.668 62.100 0.012 0.000 0.947 199 T CB -0.808 68.058 68.868 -0.004 0.000 1.016 199 T HN 0.136 nan 8.240 nan 0.000 0.554 200 D N 0.738 121.151 120.400 0.021 0.000 2.629 200 D HA 0.398 5.038 4.640 0.001 0.000 0.250 200 D C -3.316 172.994 176.300 0.017 0.000 1.126 200 D CA -2.042 51.968 54.000 0.016 0.000 0.852 200 D CB 2.289 43.102 40.800 0.022 0.000 1.335 200 D HN 0.023 nan 8.370 nan 0.000 0.518 201 P HA 0.140 nan 4.420 nan 0.000 0.272 201 P C 1.274 178.564 177.300 -0.017 0.000 1.230 201 P CA -0.658 62.435 63.100 -0.013 0.000 0.788 201 P CB 1.284 32.974 31.700 -0.018 0.000 0.949 202 I N 0.723 121.264 120.570 -0.049 0.000 2.315 202 I HA -0.234 3.936 4.170 0.001 0.000 0.248 202 I C 1.543 177.640 176.117 -0.033 0.000 1.117 202 I CA 1.864 63.118 61.300 -0.077 0.000 1.404 202 I CB -0.424 37.447 38.000 -0.215 0.000 1.071 202 I HN 0.290 nan 8.210 nan 0.000 0.419 203 A N 1.993 124.790 122.820 -0.037 0.000 1.930 203 A HA -0.141 4.180 4.320 0.001 0.000 0.217 203 A C 1.141 178.727 177.584 0.002 0.000 1.175 203 A CA 1.242 53.266 52.037 -0.022 0.000 0.627 203 A CB -0.840 18.141 19.000 -0.030 0.000 0.815 203 A HN 0.762 nan 8.150 nan 0.000 0.443 204 N N 0.761 119.465 118.700 0.005 0.000 2.515 204 N HA 0.233 4.974 4.740 0.001 0.000 0.279 204 N C -0.257 175.268 175.510 0.025 0.000 1.164 204 N CA 0.464 53.521 53.050 0.011 0.000 0.982 204 N CB 0.447 38.936 38.487 0.002 0.000 1.170 204 N HN 0.229 nan 8.380 nan 0.000 0.474 205 T N -1.729 112.840 114.554 0.025 0.000 2.889 205 T HA 0.297 4.648 4.350 0.001 0.000 0.291 205 T C -0.073 174.650 174.700 0.038 0.000 0.995 205 T CA -0.677 61.447 62.100 0.040 0.000 1.092 205 T CB 1.072 69.963 68.868 0.039 0.000 0.954 205 T HN 0.546 nan 8.240 nan 0.000 0.506 206 Q N 0.977 120.815 119.800 0.063 0.000 2.348 206 Q HA 0.513 4.854 4.340 0.001 0.000 0.271 206 Q C -1.342 174.732 176.000 0.124 0.000 1.067 206 Q CA -0.982 54.839 55.803 0.031 0.000 0.839 206 Q CB 1.788 30.531 28.738 0.007 0.000 1.354 206 Q HN 0.832 nan 8.270 nan 0.000 0.447 207 Y N -0.661 119.654 120.300 0.026 0.000 2.526 207 Y HA -0.307 4.244 4.550 0.000 0.000 0.022 207 Y C 0.200 176.110 175.900 0.017 0.000 1.721 207 Y CA 0.345 58.457 58.100 0.020 0.000 1.405 207 Y CB -0.395 38.079 38.460 0.024 0.000 2.052 207 Y HN 0.757 nan 8.280 nan 0.000 0.257 208 S N 1.377 117.211 115.700 0.224 0.000 2.603 208 S HA 0.229 4.699 4.470 0.001 0.000 0.268 208 S C 0.801 175.463 174.600 0.102 0.000 1.317 208 S CA -0.167 58.106 58.200 0.123 0.000 1.012 208 S CB 1.645 64.901 63.200 0.092 0.000 0.926 208 S HN 0.707 nan 8.310 nan 0.000 0.539 209 E N 0.656 120.894 120.200 0.063 0.000 2.110 209 E HA -0.157 4.193 4.350 0.001 0.000 0.193 209 E C 1.027 177.643 176.600 0.028 0.000 0.988 209 E CA 1.375 57.799 56.400 0.041 0.000 0.804 209 E CB -0.174 29.545 29.700 0.032 0.000 0.745 209 E HN 0.687 nan 8.360 nan 0.000 0.458 210 D N 0.679 121.098 120.400 0.032 0.000 2.144 210 D HA -0.146 4.494 4.640 0.001 0.000 0.199 210 D C 1.652 177.959 176.300 0.012 0.000 0.984 210 D CA 1.006 55.020 54.000 0.022 0.000 0.834 210 D CB -0.069 40.747 40.800 0.026 0.000 0.955 210 D HN 0.207 nan 8.370 nan 0.000 0.465 211 E N -0.181 120.034 120.200 0.025 0.000 2.047 211 E HA -0.092 4.258 4.350 0.001 0.000 0.191 211 E C 2.232 178.770 176.600 -0.104 0.000 0.987 211 E CA 0.554 56.946 56.400 -0.015 0.000 0.799 211 E CB -0.029 29.714 29.700 0.072 0.000 0.752 211 E HN 0.288 nan 8.360 nan 0.000 0.449 212 I N 0.705 121.221 120.570 -0.090 0.000 2.286 212 I HA -0.267 3.903 4.170 0.001 0.000 0.248 212 I C 2.450 178.529 176.117 -0.063 0.000 1.115 212 I CA 1.027 62.261 61.300 -0.110 0.000 1.392 212 I CB -0.241 37.730 38.000 -0.048 0.000 1.065 212 I HN 0.008 nan 8.210 nan 0.000 0.418 213 R N 0.799 121.281 120.500 -0.029 0.000 2.091 213 R HA -0.158 4.182 4.340 0.001 0.000 0.238 213 R C 2.448 178.736 176.300 -0.021 0.000 1.136 213 R CA 1.596 57.688 56.100 -0.013 0.000 0.959 213 R CB -0.479 29.822 30.300 0.001 0.000 0.856 213 R HN 0.400 nan 8.270 nan 0.000 0.437 214 A N 0.724 123.525 122.820 -0.032 0.000 1.969 214 A HA -0.097 4.223 4.320 0.001 0.000 0.218 214 A C 2.065 179.620 177.584 -0.049 0.000 1.169 214 A CA 1.069 53.086 52.037 -0.033 0.000 0.635 214 A CB -0.302 18.679 19.000 -0.031 0.000 0.810 214 A HN 0.183 nan 8.150 nan 0.000 0.445 215 I N -0.978 119.545 120.570 -0.079 0.000 2.286 215 I HA -0.146 4.024 4.170 0.001 0.000 0.245 215 I C 2.299 178.384 176.117 -0.055 0.000 1.104 215 I CA 0.693 61.938 61.300 -0.091 0.000 1.397 215 I CB -0.204 37.699 38.000 -0.162 0.000 1.072 215 I HN 0.124 nan 8.210 nan 0.000 0.417 216 V N 0.789 120.681 119.914 -0.037 0.000 2.343 216 V HA -0.285 3.835 4.120 0.001 0.000 0.247 216 V C 1.788 177.885 176.094 0.005 0.000 1.051 216 V CA 1.962 64.259 62.300 -0.004 0.000 1.036 216 V CB -0.554 31.274 31.823 0.009 0.000 0.654 216 V HN 0.400 nan 8.190 nan 0.000 0.451 217 D N -0.783 119.616 120.400 -0.002 0.000 2.347 217 D HA -0.061 4.580 4.640 0.001 0.000 0.215 217 D C 2.089 178.388 176.300 -0.002 0.000 0.976 217 D CA 0.488 54.490 54.000 0.004 0.000 0.884 217 D CB 0.057 40.858 40.800 0.003 0.000 0.915 217 D HN 0.423 nan 8.370 nan 0.000 0.526 218 E N 0.074 120.266 120.200 -0.013 0.000 2.340 218 E HA 0.117 4.468 4.350 0.001 0.000 0.194 218 E C 1.818 178.408 176.600 -0.016 0.000 0.996 218 E CA 0.077 56.467 56.400 -0.016 0.000 0.869 218 E CB 0.391 30.076 29.700 -0.026 0.000 0.835 218 E HN 0.157 nan 8.360 nan 0.000 0.493 219 A N 1.269 124.079 122.820 -0.017 0.000 1.874 219 A HA -0.104 4.217 4.320 0.001 0.000 0.214 219 A C 1.990 179.580 177.584 0.010 0.000 1.189 219 A CA 0.960 52.986 52.037 -0.018 0.000 0.615 219 A CB -0.272 18.711 19.000 -0.028 0.000 0.830 219 A HN 0.100 nan 8.150 nan 0.000 0.443 220 E N -0.128 120.087 120.200 0.025 0.000 2.110 220 E HA -0.083 4.268 4.350 0.001 0.000 0.193 220 E C 2.059 178.674 176.600 0.025 0.000 0.988 220 E CA 0.877 57.299 56.400 0.037 0.000 0.804 220 E CB -0.220 29.504 29.700 0.040 0.000 0.745 220 E HN 0.593 nan 8.360 nan 0.000 0.458 221 A N 0.692 123.521 122.820 0.015 0.000 2.168 221 A HA 0.122 4.442 4.320 0.001 0.000 0.215 221 A C 1.935 179.525 177.584 0.010 0.000 1.152 221 A CA 1.079 53.123 52.037 0.011 0.000 0.716 221 A CB 0.017 19.021 19.000 0.006 0.000 0.794 221 A HN 0.213 nan 8.150 nan 0.000 0.465 222 A N -0.528 122.297 122.820 0.009 0.000 2.500 222 A HA 0.346 4.666 4.320 0.001 0.000 0.267 222 A C 0.496 178.091 177.584 0.019 0.000 1.290 222 A CA 0.009 52.051 52.037 0.009 0.000 0.928 222 A CB -0.307 18.692 19.000 -0.000 0.000 1.066 222 A HN 0.406 nan 8.150 nan 0.000 0.516 223 N N 0.067 118.783 118.700 0.027 0.000 2.735 223 N HA -0.146 4.595 4.740 0.001 0.000 0.248 223 N C 0.211 175.756 175.510 0.057 0.000 1.083 223 N CA 1.609 54.683 53.050 0.040 0.000 0.703 223 N CB -1.555 36.953 38.487 0.035 0.000 1.005 223 N HN 0.647 nan 8.380 nan 0.000 0.550 224 T N -1.523 113.065 114.554 0.056 0.000 2.598 224 T HA 0.734 5.084 4.350 0.001 0.000 0.254 224 T C -1.017 173.768 174.700 0.141 0.000 0.889 224 T CA -0.226 61.923 62.100 0.082 0.000 1.091 224 T CB 1.228 70.076 68.868 -0.033 0.000 1.437 224 T HN 0.235 nan 8.240 nan 0.000 0.542 225 Y N -1.620 118.672 120.300 -0.013 0.000 2.818 225 Y HA 0.821 5.372 4.550 0.000 0.000 0.322 225 Y C -1.688 174.207 175.900 -0.008 0.000 1.323 225 Y CA -1.286 56.808 58.100 -0.010 0.000 1.090 225 Y CB 0.809 39.258 38.460 -0.017 0.000 1.328 225 Y HN 0.316 nan 8.280 nan 0.000 0.482 226 V N 3.709 123.724 119.914 0.170 0.000 2.444 226 V HA 0.377 4.497 4.120 0.001 0.000 0.294 226 V C -0.141 176.073 176.094 0.200 0.000 1.022 226 V CA -0.878 61.460 62.300 0.063 0.000 0.850 226 V CB 1.290 33.138 31.823 0.041 0.000 0.992 226 V HN 0.807 nan 8.190 nan 0.000 0.426 227 M N 3.684 123.360 119.600 0.127 0.000 2.249 227 M HA 0.910 5.390 4.480 0.001 0.000 0.351 227 M C -0.261 176.121 176.300 0.137 0.000 1.180 227 M CA -0.176 55.228 55.300 0.173 0.000 1.127 227 M CB 1.404 34.111 32.600 0.179 0.000 1.546 227 M HN 0.562 nan 8.290 nan 0.000 0.461 228 A N 1.391 124.300 122.820 0.147 0.000 2.414 228 A HA 0.549 4.869 4.320 0.001 0.000 0.306 228 A C -1.557 176.142 177.584 0.191 0.000 1.054 228 A CA -0.698 51.432 52.037 0.156 0.000 0.724 228 A CB 0.907 19.971 19.000 0.107 0.000 1.267 228 A HN 0.976 nan 8.150 nan 0.000 0.418 229 H N 1.309 120.467 119.070 0.146 0.000 2.652 229 H HA 0.676 5.232 4.556 0.000 0.000 0.298 229 H C -0.201 175.133 175.328 0.009 0.000 1.076 229 H CA 0.648 56.776 56.048 0.134 0.000 1.360 229 H CB 0.672 30.564 29.762 0.217 0.000 1.421 229 H HN 0.931 nan 8.280 nan 0.000 0.464 230 A N 4.487 127.029 122.820 -0.464 0.000 2.594 230 A HA 0.417 4.737 4.320 0.001 0.000 0.295 230 A C -1.468 175.809 177.584 -0.511 0.000 1.071 230 A CA -0.672 51.132 52.037 -0.389 0.000 0.685 230 A CB 0.695 19.629 19.000 -0.111 0.000 1.285 230 A HN 0.698 nan 8.150 nan 0.000 0.405 231 Y N 0.401 120.584 120.300 -0.195 0.000 2.740 231 Y HA 0.166 4.717 4.550 0.001 0.000 0.257 231 Y C 1.926 177.782 175.900 -0.074 0.000 1.064 231 Y CA 1.260 59.275 58.100 -0.141 0.000 1.351 231 Y CB -0.303 38.047 38.460 -0.183 0.000 1.439 231 Y HN 0.718 nan 8.280 nan 0.000 0.488 232 T N -0.609 114.011 114.554 0.110 0.000 2.930 232 T HA 0.207 4.558 4.350 0.001 0.000 0.306 232 T C 1.588 176.306 174.700 0.030 0.000 1.045 232 T CA 0.124 62.252 62.100 0.045 0.000 1.134 232 T CB 1.280 70.162 68.868 0.023 0.000 0.961 232 T HN 0.477 nan 8.240 nan 0.000 0.545 233 G N 1.085 109.895 108.800 0.016 0.000 2.448 233 G HA2 -0.230 3.730 3.960 0.001 0.000 0.219 233 G HA3 -0.230 3.730 3.960 0.001 0.000 0.219 233 G C 1.495 176.401 174.900 0.011 0.000 1.127 233 G CA 0.667 45.775 45.100 0.013 0.000 0.766 233 G HN 0.861 nan 8.290 nan 0.000 0.552 234 R N 0.524 121.029 120.500 0.008 0.000 2.073 234 R HA 0.063 4.404 4.340 0.001 0.000 0.234 234 R C 2.774 179.082 176.300 0.012 0.000 1.134 234 R CA 1.559 57.664 56.100 0.008 0.000 0.952 234 R CB -0.450 29.854 30.300 0.006 0.000 0.850 234 R HN 0.230 nan 8.270 nan 0.000 0.433 235 A N 0.957 123.787 122.820 0.017 0.000 1.930 235 A HA -0.079 4.241 4.320 0.001 0.000 0.217 235 A C 2.156 179.749 177.584 0.015 0.000 1.175 235 A CA 1.253 53.302 52.037 0.021 0.000 0.627 235 A CB -0.410 18.605 19.000 0.024 0.000 0.815 235 A HN 0.386 nan 8.150 nan 0.000 0.443 236 I N -0.251 120.327 120.570 0.012 0.000 2.202 236 I HA -0.256 3.914 4.170 0.001 0.000 0.242 236 I C 2.976 179.088 176.117 -0.007 0.000 1.091 236 I CA 1.023 62.329 61.300 0.010 0.000 1.368 236 I CB -0.335 37.685 38.000 0.034 0.000 1.058 236 I HN 0.339 nan 8.210 nan 0.000 0.410 237 A N 1.850 124.666 122.820 -0.007 0.000 1.883 237 A HA -0.252 4.068 4.320 0.001 0.000 0.217 237 A C 2.310 179.869 177.584 -0.041 0.000 1.186 237 A CA 2.275 54.296 52.037 -0.026 0.000 0.624 237 A CB -0.678 18.318 19.000 -0.008 0.000 0.822 237 A HN 0.518 nan 8.150 nan 0.000 0.444 238 R N -0.191 120.300 120.500 -0.015 0.000 2.148 238 R HA 0.261 4.601 4.340 0.001 0.000 0.223 238 R C 2.046 178.339 176.300 -0.012 0.000 1.088 238 R CA 1.393 57.488 56.100 -0.008 0.000 0.985 238 R CB -0.759 29.549 30.300 0.012 0.000 0.880 238 R HN 0.314 nan 8.270 nan 0.000 0.451 239 A N 1.263 124.077 122.820 -0.008 0.000 1.873 239 A HA -0.017 4.303 4.320 0.001 0.000 0.215 239 A C 2.367 179.928 177.584 -0.037 0.000 1.186 239 A CA 1.423 53.458 52.037 -0.003 0.000 0.616 239 A CB -0.598 18.411 19.000 0.016 0.000 0.823 239 A HN 0.148 nan 8.150 nan 0.000 0.442 240 V N -0.178 119.685 119.914 -0.085 0.000 2.427 240 V HA -0.196 3.924 4.120 0.001 0.000 0.248 240 V C 2.568 178.481 176.094 -0.302 0.000 1.051 240 V CA 2.048 64.238 62.300 -0.183 0.000 1.048 240 V CB -0.750 30.937 31.823 -0.227 0.000 0.666 240 V HN 0.514 nan 8.190 nan 0.000 0.456 241 R N -1.183 119.175 120.500 -0.237 0.000 2.189 241 R HA -0.131 4.209 4.340 0.001 0.000 0.223 241 R C 2.120 178.410 176.300 -0.017 0.000 1.092 241 R CA 1.478 57.504 56.100 -0.123 0.000 0.989 241 R CB -0.373 29.902 30.300 -0.042 0.000 0.876 241 R HN 0.488 nan 8.270 nan 0.000 0.457 242 C N -1.281 118.006 119.300 -0.021 0.000 2.495 242 C HA 0.217 4.677 4.460 0.001 0.000 0.275 242 C C 1.362 176.363 174.990 0.018 0.000 1.392 242 C CA 0.738 59.759 59.018 0.006 0.000 1.766 242 C CB 0.018 27.760 27.740 0.003 0.000 1.933 242 C HN 0.774 nan 8.230 nan 0.000 0.519 243 G N 0.660 109.467 108.800 0.012 0.000 2.186 243 G HA2 -0.102 3.858 3.960 0.001 0.000 0.130 243 G HA3 -0.102 3.858 3.960 0.001 0.000 0.130 243 G C -0.005 174.927 174.900 0.053 0.000 1.031 243 G CA 0.120 45.248 45.100 0.047 0.000 0.697 243 G HN 0.846 nan 8.290 nan 0.000 0.494 244 V N -1.675 118.261 119.914 0.038 0.000 2.811 244 V HA 0.639 4.759 4.120 0.001 0.000 0.302 244 V C 1.450 177.600 176.094 0.093 0.000 1.063 244 V CA 0.483 62.824 62.300 0.069 0.000 1.088 244 V CB 1.522 33.380 31.823 0.059 0.000 0.982 244 V HN 0.352 nan 8.190 nan 0.000 0.485 245 R N 1.811 122.399 120.500 0.145 0.000 2.128 245 R HA 0.152 4.493 4.340 0.001 0.000 0.211 245 R C 0.724 177.121 176.300 0.162 0.000 1.067 245 R CA 1.045 57.230 56.100 0.142 0.000 1.010 245 R CB 0.258 30.611 30.300 0.088 0.000 0.922 245 R HN 1.005 nan 8.270 nan 0.000 0.457 246 T N -1.359 113.285 114.554 0.150 0.000 2.861 246 T HA 0.467 4.817 4.350 0.001 0.000 0.287 246 T C -0.380 174.378 174.700 0.097 0.000 1.003 246 T CA -0.874 61.302 62.100 0.127 0.000 0.977 246 T CB 1.861 70.772 68.868 0.072 0.000 0.996 246 T HN -0.123 nan 8.240 nan 0.000 0.448 247 I N 3.315 123.913 120.570 0.046 0.000 2.330 247 I HA 0.345 4.515 4.170 0.001 0.000 0.289 247 I C 0.227 176.322 176.117 -0.037 0.000 1.001 247 I CA -0.649 60.658 61.300 0.011 0.000 1.193 247 I CB 1.471 39.466 38.000 -0.008 0.000 1.345 247 I HN 0.741 nan 8.210 nan 0.000 0.461 248 E N 6.425 126.609 120.200 -0.026 0.000 2.313 248 E HA 0.291 4.641 4.350 0.001 0.000 0.272 248 E C 0.613 177.081 176.600 -0.220 0.000 1.038 248 E CA -0.328 55.969 56.400 -0.172 0.000 0.863 248 E CB 1.024 30.653 29.700 -0.118 0.000 1.060 248 E HN 0.528 nan 8.360 nan 0.000 0.402 249 H N 1.561 120.489 119.070 -0.236 0.000 1.472 249 H HA -0.298 4.258 4.556 0.000 0.000 0.090 249 H C 0.974 176.246 175.328 -0.093 0.000 0.607 249 H CA 1.501 57.436 56.048 -0.187 0.000 1.899 249 H CB -1.429 28.067 29.762 -0.444 0.000 2.254 249 H HN 0.871 nan 8.280 nan 0.000 0.961 250 G N 1.975 110.773 108.800 -0.004 0.000 2.272 250 G HA2 -0.319 3.641 3.960 0.001 0.000 0.280 250 G HA3 -0.319 3.641 3.960 0.001 0.000 0.280 250 G C 0.588 175.626 174.900 0.228 0.000 1.067 250 G CA 0.905 46.076 45.100 0.119 0.000 0.902 250 G HN 0.604 nan 8.290 nan 0.000 0.500 251 N N -0.425 118.421 118.700 0.245 0.000 2.459 251 N HA 0.028 4.769 4.740 0.001 0.000 0.181 251 N C 1.521 177.068 175.510 0.061 0.000 1.046 251 N CA 0.944 54.093 53.050 0.165 0.000 0.904 251 N CB -0.026 38.532 38.487 0.118 0.000 0.964 251 N HN 0.630 nan 8.380 nan 0.000 0.444 252 L N 0.832 122.100 121.223 0.076 0.000 2.999 252 L HA 0.341 4.682 4.340 0.001 0.000 0.263 252 L C -0.349 176.515 176.870 -0.010 0.000 1.320 252 L CA -0.557 54.285 54.840 0.003 0.000 0.913 252 L CB 0.393 42.447 42.059 -0.007 0.000 1.296 252 L HN -0.213 nan 8.230 nan 0.000 0.546 253 V N -2.461 117.427 119.914 -0.043 0.000 2.775 253 V HA 0.299 4.419 4.120 0.001 0.000 0.299 253 V C 0.117 176.154 176.094 -0.096 0.000 1.062 253 V CA -0.791 61.467 62.300 -0.071 0.000 1.063 253 V CB 0.710 32.432 31.823 -0.168 0.000 0.994 253 V HN 0.454 nan 8.190 nan 0.000 0.483 254 D N 2.032 122.392 120.400 -0.066 0.000 2.388 254 D HA 0.250 4.891 4.640 0.001 0.000 0.254 254 D C 0.993 177.247 176.300 -0.076 0.000 1.111 254 D CA -0.397 53.563 54.000 -0.068 0.000 0.993 254 D CB 0.654 41.429 40.800 -0.042 0.000 1.118 254 D HN 0.684 nan 8.370 nan 0.000 0.502 255 E N 0.009 120.168 120.200 -0.069 0.000 2.274 255 E HA -0.180 4.171 4.350 0.001 0.000 0.194 255 E C 1.669 178.252 176.600 -0.029 0.000 0.996 255 E CA 0.840 57.203 56.400 -0.061 0.000 0.840 255 E CB -0.351 29.314 29.700 -0.057 0.000 0.772 255 E HN 0.489 nan 8.360 nan 0.000 0.491 256 A N 1.930 124.738 122.820 -0.020 0.000 1.930 256 A HA 0.095 4.415 4.320 0.001 0.000 0.217 256 A C 2.482 180.074 177.584 0.013 0.000 1.175 256 A CA 1.743 53.778 52.037 -0.003 0.000 0.627 256 A CB -0.539 18.459 19.000 -0.004 0.000 0.815 256 A HN 0.386 nan 8.150 nan 0.000 0.443 257 A N -0.257 122.569 122.820 0.010 0.000 1.929 257 A HA 0.274 4.595 4.320 0.001 0.000 0.216 257 A C 2.439 180.059 177.584 0.060 0.000 1.176 257 A CA 1.696 53.749 52.037 0.028 0.000 0.628 257 A CB -0.847 18.166 19.000 0.022 0.000 0.816 257 A HN 0.975 nan 8.150 nan 0.000 0.444 258 A N -0.208 122.646 122.820 0.057 0.000 1.969 258 A HA -0.118 4.202 4.320 0.001 0.000 0.218 258 A C 2.119 179.769 177.584 0.111 0.000 1.169 258 A CA 1.761 53.867 52.037 0.114 0.000 0.635 258 A CB -0.391 18.638 19.000 0.048 0.000 0.810 258 A HN 0.490 nan 8.150 nan 0.000 0.445 259 K N -0.627 119.812 120.400 0.065 0.000 2.057 259 K HA -0.118 4.202 4.320 0.001 0.000 0.207 259 K C 1.760 178.431 176.600 0.118 0.000 1.049 259 K CA 1.476 57.800 56.287 0.063 0.000 0.931 259 K CB -0.254 32.259 32.500 0.022 0.000 0.714 259 K HN 0.365 nan 8.250 nan 0.000 0.440 260 L N 1.035 122.324 121.223 0.110 0.000 2.291 260 L HA -0.011 4.329 4.340 0.001 0.000 0.214 260 L C 2.145 179.129 176.870 0.191 0.000 1.120 260 L CA 1.173 56.106 54.840 0.154 0.000 0.799 260 L CB -0.117 41.996 42.059 0.090 0.000 0.925 260 L HN 0.225 nan 8.230 nan 0.000 0.446 261 M N -2.187 117.491 119.600 0.130 0.000 2.288 261 M HA -0.172 4.308 4.480 0.001 0.000 0.266 261 M C 2.143 178.499 176.300 0.093 0.000 1.072 261 M CA 1.248 56.606 55.300 0.097 0.000 1.132 261 M CB -0.312 32.335 32.600 0.079 0.000 1.386 261 M HN 0.341 nan 8.290 nan 0.000 0.432 262 H N 0.439 119.527 119.070 0.031 0.000 2.389 262 H HA -0.103 4.453 4.556 0.001 0.000 0.299 262 H C 1.593 176.920 175.328 -0.002 0.000 1.081 262 H CA 1.739 57.782 56.048 -0.008 0.000 1.345 262 H CB 0.267 30.028 29.762 -0.001 0.000 1.393 262 H HN 0.374 nan 8.280 nan 0.000 0.520 263 E N -1.267 119.040 120.200 0.179 0.000 2.347 263 E HA -0.106 4.244 4.350 0.001 0.000 0.196 263 E C 0.947 177.500 176.600 -0.079 0.000 1.008 263 E CA 0.676 57.121 56.400 0.075 0.000 0.852 263 E CB 0.239 29.996 29.700 0.094 0.000 0.783 263 E HN 0.697 nan 8.360 nan 0.000 0.505 264 H N -1.538 117.509 119.070 -0.037 0.000 2.740 264 H HA 0.230 4.786 4.556 0.000 0.000 0.265 264 H C 0.970 176.244 175.328 -0.089 0.000 0.978 264 H CA 0.536 56.558 56.048 -0.043 0.000 1.198 264 H CB 1.395 31.148 29.762 -0.015 0.000 1.467 264 H HN 0.188 nan 8.280 nan 0.000 0.511 265 G N 0.609 109.366 108.800 -0.072 0.000 2.198 265 G HA2 -0.191 3.769 3.960 0.001 0.000 0.257 265 G HA3 -0.191 3.769 3.960 0.001 0.000 0.257 265 G C 0.130 174.883 174.900 -0.245 0.000 1.042 265 G CA 0.231 45.198 45.100 -0.221 0.000 0.791 265 G HN 0.658 nan 8.290 nan 0.000 0.502 266 A N -0.293 122.443 122.820 -0.140 0.000 2.274 266 A HA 0.830 5.150 4.320 0.001 0.000 0.309 266 A C 0.202 177.712 177.584 -0.124 0.000 1.226 266 A CA -0.570 51.439 52.037 -0.047 0.000 0.853 266 A CB 0.591 19.606 19.000 0.025 0.000 1.146 266 A HN 0.492 nan 8.150 nan 0.000 0.518 267 F N 1.268 121.165 119.950 -0.087 0.000 2.375 267 F HA 0.498 5.025 4.527 0.000 0.000 0.313 267 F C 0.503 176.211 175.800 -0.153 0.000 1.176 267 F CA -0.221 57.709 58.000 -0.116 0.000 1.142 267 F CB 1.112 40.038 39.000 -0.123 0.000 1.275 267 F HN 0.260 nan 8.300 nan 0.000 0.544 268 V N 1.382 121.281 119.914 -0.025 0.000 2.638 268 V HA 0.368 4.489 4.120 0.001 0.000 0.306 268 V C -0.881 175.119 176.094 -0.157 0.000 1.052 268 V CA -0.840 61.332 62.300 -0.214 0.000 0.885 268 V CB 1.839 33.253 31.823 -0.681 0.000 0.999 268 V HN 0.455 nan 8.190 nan 0.000 0.424 269 V N 6.249 126.080 119.914 -0.138 0.000 2.266 269 V HA 0.343 4.463 4.120 0.001 0.000 0.271 269 V C -2.432 173.536 176.094 -0.210 0.000 1.032 269 V CA -1.780 60.439 62.300 -0.136 0.000 0.806 269 V CB 1.074 32.852 31.823 -0.075 0.000 1.052 269 V HN 0.698 nan 8.190 nan 0.000 0.449 270 P HA 0.275 nan 4.420 nan 0.000 0.272 270 P C 0.389 177.586 177.300 -0.172 0.000 1.230 270 P CA 0.040 63.077 63.100 -0.105 0.000 0.788 270 P CB 0.547 32.241 31.700 -0.009 0.000 0.949 271 T N -2.048 112.459 114.554 -0.078 0.000 3.624 271 T HA 0.281 4.631 4.350 0.001 0.000 0.244 271 T C 0.920 175.603 174.700 -0.027 0.000 1.063 271 T CA -0.386 61.623 62.100 -0.152 0.000 1.252 271 T CB -1.103 67.596 68.868 -0.282 0.000 1.021 271 T HN 0.090 nan 8.240 nan 0.000 0.590 272 L N 0.023 121.278 121.223 0.054 0.000 2.265 272 L HA 0.020 4.360 4.340 0.001 0.000 0.215 272 L C 2.574 179.503 176.870 0.097 0.000 1.117 272 L CA 0.589 55.558 54.840 0.216 0.000 0.782 272 L CB -0.456 41.679 42.059 0.128 0.000 0.914 272 L HN 0.385 nan 8.230 nan 0.000 0.441 273 V N -0.695 119.180 119.914 -0.066 0.000 2.809 273 V HA -0.229 3.891 4.120 0.001 0.000 0.256 273 V C 2.490 178.495 176.094 -0.148 0.000 1.080 273 V CA 2.146 64.402 62.300 -0.072 0.000 1.102 273 V CB 0.081 31.874 31.823 -0.049 0.000 0.705 273 V HN 0.468 nan 8.190 nan 0.000 0.475 274 T N -1.052 113.324 114.554 -0.297 0.000 2.995 274 T HA -0.113 4.237 4.350 0.001 0.000 0.269 274 T C 1.464 175.945 174.700 -0.364 0.000 1.091 274 T CA 1.618 63.494 62.100 -0.374 0.000 1.128 274 T CB -0.209 68.392 68.868 -0.444 0.000 0.891 274 T HN 0.702 nan 8.240 nan 0.000 0.492 275 Y N 0.850 121.147 120.300 -0.005 0.000 2.365 275 Y HA 0.181 4.731 4.550 0.000 0.000 0.293 275 Y C 2.288 178.153 175.900 -0.058 0.000 1.119 275 Y CA 0.152 58.242 58.100 -0.018 0.000 1.203 275 Y CB -0.487 37.973 38.460 -0.001 0.000 1.026 275 Y HN 0.172 nan 8.280 nan 0.000 0.549 276 D N 0.318 120.747 120.400 0.049 0.000 2.144 276 D HA -0.160 4.480 4.640 0.001 0.000 0.199 276 D C 2.251 178.466 176.300 -0.143 0.000 0.984 276 D CA 1.497 55.471 54.000 -0.044 0.000 0.834 276 D CB -0.329 40.442 40.800 -0.048 0.000 0.955 276 D HN 0.318 nan 8.370 nan 0.000 0.465 277 A N 0.134 122.834 122.820 -0.201 0.000 1.873 277 A HA -0.053 4.267 4.320 0.001 0.000 0.215 277 A C 2.122 179.668 177.584 -0.065 0.000 1.186 277 A CA 0.804 52.691 52.037 -0.250 0.000 0.616 277 A CB -0.669 18.156 19.000 -0.292 0.000 0.823 277 A HN 0.235 nan 8.150 nan 0.000 0.442 278 L N -0.575 120.617 121.223 -0.050 0.000 2.610 278 L HA 0.028 4.369 4.340 0.001 0.000 0.232 278 L C 2.666 179.507 176.870 -0.048 0.000 1.149 278 L CA 0.321 55.153 54.840 -0.013 0.000 0.872 278 L CB -0.335 41.739 42.059 0.024 0.000 0.992 278 L HN 0.446 nan 8.230 nan 0.000 0.447 279 A N 0.783 123.552 122.820 -0.085 0.000 1.832 279 A HA -0.154 4.167 4.320 0.001 0.000 0.214 279 A C 2.267 179.722 177.584 -0.215 0.000 1.204 279 A CA 1.410 53.377 52.037 -0.116 0.000 0.606 279 A CB -0.175 18.766 19.000 -0.099 0.000 0.849 279 A HN 0.221 nan 8.150 nan 0.000 0.445 280 K N -0.757 119.405 120.400 -0.397 0.000 2.186 280 K HA 0.029 4.349 4.320 0.001 0.000 0.202 280 K C 1.122 177.297 176.600 -0.708 0.000 1.052 280 K CA 1.277 57.178 56.287 -0.643 0.000 0.965 280 K CB 0.031 31.938 32.500 -0.989 0.000 0.746 280 K HN 0.673 nan 8.250 nan 0.000 0.457 281 H N -1.835 117.107 119.070 -0.214 0.000 2.784 281 H HA 0.284 4.841 4.556 0.001 0.000 0.273 281 H C 1.504 176.682 175.328 -0.251 0.000 1.112 281 H CA 0.296 56.116 56.048 -0.380 0.000 1.162 281 H CB 0.539 30.039 29.762 -0.437 0.000 1.586 281 H HN 0.217 nan 8.280 nan 0.000 0.548 282 G N 1.492 110.254 108.800 -0.064 0.000 2.604 282 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 282 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 282 G C 1.755 176.663 174.900 0.014 0.000 1.265 282 G CA 1.377 46.477 45.100 0.001 0.000 0.804 282 G HN 0.416 nan 8.290 nan 0.000 0.579 283 A N -0.090 122.719 122.820 -0.018 0.000 2.119 283 A HA 0.120 4.440 4.320 0.001 0.000 0.217 283 A C 2.099 179.680 177.584 -0.005 0.000 1.153 283 A CA 1.791 53.826 52.037 -0.003 0.000 0.692 283 A CB -0.312 18.680 19.000 -0.014 0.000 0.799 283 A HN 0.536 nan 8.150 nan 0.000 0.458 284 E N -1.164 118.995 120.200 -0.068 0.000 2.106 284 E HA -0.122 4.229 4.350 0.001 0.000 0.192 284 E C 0.146 176.745 176.600 -0.002 0.000 0.984 284 E CA 0.858 57.184 56.400 -0.122 0.000 0.806 284 E CB -0.048 29.467 29.700 -0.309 0.000 0.750 284 E HN 0.565 nan 8.360 nan 0.000 0.458 285 F N -0.578 119.412 119.950 0.068 0.000 2.668 285 F HA 0.349 4.876 4.527 0.001 0.000 0.297 285 F C 1.168 176.985 175.800 0.030 0.000 1.124 285 F CA 0.326 58.358 58.000 0.054 0.000 1.353 285 F CB 0.885 39.926 39.000 0.069 0.000 0.992 285 F HN 0.124 nan 8.300 nan 0.000 0.524 286 G N 0.344 109.252 108.800 0.180 0.000 2.144 286 G HA2 -0.282 3.678 3.960 0.001 0.000 0.218 286 G HA3 -0.282 3.678 3.960 0.001 0.000 0.218 286 G C 0.293 175.229 174.900 0.060 0.000 0.988 286 G CA -0.236 44.925 45.100 0.100 0.000 0.659 286 G HN 0.288 nan 8.290 nan 0.000 0.522 287 M N 2.201 121.838 119.600 0.062 0.000 2.146 287 M HA 0.428 4.908 4.480 0.001 0.000 0.357 287 M C -1.830 174.486 176.300 0.028 0.000 1.261 287 M CA -1.989 53.333 55.300 0.036 0.000 1.106 287 M CB 0.867 33.492 32.600 0.042 0.000 1.612 287 M HN -0.072 nan 8.290 nan 0.000 0.470 288 P HA -0.032 nan 4.420 nan 0.000 0.263 288 P C -2.416 174.896 177.300 0.019 0.000 1.168 288 P CA -0.625 62.488 63.100 0.022 0.000 0.759 288 P CB -0.275 31.442 31.700 0.027 0.000 0.782 289 P HA -0.179 nan 4.420 nan 0.000 0.219 289 P C 1.331 178.634 177.300 0.005 0.000 1.146 289 P CA 1.417 64.520 63.100 0.005 0.000 0.808 289 P CB -0.067 31.635 31.700 0.002 0.000 0.779 290 E N -0.870 119.337 120.200 0.011 0.000 2.371 290 E HA 0.002 4.353 4.350 0.001 0.000 0.194 290 E C 1.379 177.989 176.600 0.017 0.000 1.012 290 E CA 0.959 57.365 56.400 0.010 0.000 0.860 290 E CB -0.793 28.914 29.700 0.013 0.000 0.811 290 E HN 0.101 nan 8.360 nan 0.000 0.502 291 S N 0.392 116.110 115.700 0.029 0.000 2.446 291 S HA 0.031 4.501 4.470 0.001 0.000 0.225 291 S C 1.946 176.566 174.600 0.034 0.000 1.016 291 S CA 0.626 58.852 58.200 0.044 0.000 0.943 291 S CB 0.208 63.446 63.200 0.063 0.000 0.786 291 S HN 0.151 nan 8.310 nan 0.000 0.508 292 V N 1.903 121.829 119.914 0.020 0.000 2.871 292 V HA -0.000 4.120 4.120 0.001 0.000 0.256 292 V C 2.496 178.585 176.094 -0.007 0.000 1.082 292 V CA 1.224 63.530 62.300 0.009 0.000 1.105 292 V CB -1.026 30.796 31.823 -0.001 0.000 0.713 292 V HN 0.490 nan 8.190 nan 0.000 0.473 293 A N 0.068 122.881 122.820 -0.011 0.000 1.933 293 A HA -0.217 4.103 4.320 0.001 0.000 0.218 293 A C 2.281 179.842 177.584 -0.038 0.000 1.175 293 A CA 1.766 53.788 52.037 -0.024 0.000 0.628 293 A CB -0.357 18.631 19.000 -0.021 0.000 0.814 293 A HN 0.508 nan 8.150 nan 0.000 0.444 294 K N -0.847 119.532 120.400 -0.035 0.000 2.366 294 K HA 0.083 4.403 4.320 0.001 0.000 0.198 294 K C 1.537 178.083 176.600 -0.090 0.000 1.044 294 K CA 0.665 56.910 56.287 -0.069 0.000 0.973 294 K CB -0.026 32.438 32.500 -0.060 0.000 0.767 294 K HN 0.270 nan 8.250 nan 0.000 0.475 295 V N 0.715 120.607 119.914 -0.036 0.000 3.041 295 V HA -0.092 4.028 4.120 0.001 0.000 0.260 295 V C 1.892 177.956 176.094 -0.050 0.000 1.105 295 V CA 1.401 63.700 62.300 -0.002 0.000 1.125 295 V CB -0.034 31.839 31.823 0.083 0.000 0.730 295 V HN 0.301 nan 8.190 nan 0.000 0.479 296 A N 0.116 122.896 122.820 -0.065 0.000 1.969 296 A HA -0.146 4.175 4.320 0.001 0.000 0.218 296 A C 2.507 180.027 177.584 -0.108 0.000 1.169 296 A CA 2.014 54.007 52.037 -0.073 0.000 0.635 296 A CB -0.534 18.430 19.000 -0.062 0.000 0.810 296 A HN 0.735 nan 8.150 nan 0.000 0.445 297 S N -0.054 115.561 115.700 -0.143 0.000 2.406 297 S HA -0.078 4.392 4.470 0.001 0.000 0.224 297 S C 1.716 176.179 174.600 -0.227 0.000 1.030 297 S CA 1.183 59.283 58.200 -0.166 0.000 0.958 297 S CB -1.023 62.077 63.200 -0.168 0.000 0.811 297 S HN 0.834 nan 8.310 nan 0.000 0.489 298 V N 1.205 120.918 119.914 -0.335 0.000 2.871 298 V HA -0.033 4.087 4.120 0.001 0.000 0.256 298 V C 2.469 178.292 176.094 -0.451 0.000 1.082 298 V CA 1.115 63.130 62.300 -0.474 0.000 1.105 298 V CB -1.557 29.799 31.823 -0.779 0.000 0.713 298 V HN 0.684 nan 8.190 nan 0.000 0.473 299 Q N -0.009 119.585 119.800 -0.344 0.000 2.311 299 Q HA -0.059 4.281 4.340 0.001 0.000 0.203 299 Q C 2.047 177.980 176.000 -0.111 0.000 0.954 299 Q CA 0.947 56.634 55.803 -0.194 0.000 0.885 299 Q CB -0.396 28.309 28.738 -0.054 0.000 0.963 299 Q HN 0.594 nan 8.270 nan 0.000 0.471 300 Q N 1.618 121.347 119.800 -0.119 0.000 1.965 300 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 300 Q C 1.527 177.482 176.000 -0.076 0.000 0.981 300 Q CA 1.450 57.203 55.803 -0.084 0.000 0.834 300 Q CB -0.251 28.436 28.738 -0.086 0.000 0.900 300 Q HN 0.271 nan 8.270 nan 0.000 0.426 301 K N 0.515 120.859 120.400 -0.093 0.000 2.551 301 K HA 0.023 4.343 4.320 0.001 0.000 0.192 301 K C 1.688 178.252 176.600 -0.061 0.000 1.027 301 K CA 0.483 56.724 56.287 -0.077 0.000 1.059 301 K CB -0.356 32.093 32.500 -0.084 0.000 0.831 301 K HN 0.355 nan 8.250 nan 0.000 0.508 302 G N 0.241 109.005 108.800 -0.059 0.000 2.394 302 G HA2 -0.202 3.758 3.960 0.001 0.000 0.214 302 G HA3 -0.202 3.758 3.960 0.001 0.000 0.214 302 G C 1.431 176.344 174.900 0.022 0.000 1.176 302 G CA 0.184 45.276 45.100 -0.014 0.000 0.786 302 G HN 0.222 nan 8.290 nan 0.000 0.533 303 R N 0.051 120.557 120.500 0.010 0.000 2.115 303 R HA 0.047 4.387 4.340 0.001 0.000 0.226 303 R C 2.410 178.713 176.300 0.005 0.000 1.100 303 R CA 1.046 57.158 56.100 0.020 0.000 0.980 303 R CB -0.189 30.120 30.300 0.016 0.000 0.875 303 R HN 0.459 nan 8.270 nan 0.000 0.445 304 E N 0.517 120.706 120.200 -0.019 0.000 2.077 304 E HA -0.177 4.174 4.350 0.001 0.000 0.193 304 E C 1.833 178.392 176.600 -0.069 0.000 0.989 304 E CA 1.685 58.061 56.400 -0.040 0.000 0.800 304 E CB 0.125 29.794 29.700 -0.052 0.000 0.746 304 E HN 0.321 nan 8.360 nan 0.000 0.452 305 S N 0.235 115.885 115.700 -0.085 0.000 2.399 305 S HA -0.154 4.316 4.470 0.001 0.000 0.231 305 S C 1.954 176.451 174.600 -0.171 0.000 1.022 305 S CA 0.617 58.694 58.200 -0.205 0.000 0.983 305 S CB -0.314 62.790 63.200 -0.160 0.000 0.803 305 S HN 0.141 nan 8.310 nan 0.000 0.480 306 L N 1.982 123.232 121.223 0.046 0.000 2.079 306 L HA -0.047 4.293 4.340 0.001 0.000 0.210 306 L C 2.699 179.623 176.870 0.089 0.000 1.081 306 L CA 1.763 56.692 54.840 0.148 0.000 0.752 306 L CB -0.863 41.262 42.059 0.110 0.000 0.896 306 L HN 0.396 nan 8.230 nan 0.000 0.433 307 E N -0.893 119.316 120.200 0.016 0.000 2.107 307 E HA -0.150 4.200 4.350 0.001 0.000 0.191 307 E C 2.326 178.910 176.600 -0.027 0.000 0.982 307 E CA 0.858 57.260 56.400 0.003 0.000 0.809 307 E CB -0.060 29.634 29.700 -0.010 0.000 0.756 307 E HN 0.469 nan 8.360 nan 0.000 0.459 308 I N 0.253 120.758 120.570 -0.108 0.000 2.315 308 I HA -0.264 3.907 4.170 0.001 0.000 0.248 308 I C 1.828 177.876 176.117 -0.115 0.000 1.117 308 I CA 1.020 62.221 61.300 -0.165 0.000 1.404 308 I CB -0.175 37.650 38.000 -0.292 0.000 1.071 308 I HN 0.129 nan 8.210 nan 0.000 0.419 309 Y N 0.748 121.053 120.300 0.009 0.000 2.263 309 Y HA -0.104 4.446 4.550 0.001 0.000 0.292 309 Y C 2.628 178.540 175.900 0.020 0.000 1.130 309 Y CA 0.774 58.883 58.100 0.016 0.000 1.179 309 Y CB -0.995 37.476 38.460 0.018 0.000 0.998 309 Y HN 0.093 nan 8.280 nan 0.000 0.532 310 A N 0.406 123.325 122.820 0.166 0.000 1.898 310 A HA -0.189 4.131 4.320 0.001 0.000 0.216 310 A C 2.093 179.716 177.584 0.066 0.000 1.181 310 A CA 1.870 53.968 52.037 0.103 0.000 0.620 310 A CB -0.654 18.392 19.000 0.078 0.000 0.819 310 A HN 0.389 nan 8.150 nan 0.000 0.442 311 N N 0.380 119.103 118.700 0.038 0.000 2.188 311 N HA -0.043 4.698 4.740 0.001 0.000 0.184 311 N C 1.518 177.025 175.510 -0.004 0.000 1.018 311 N CA 1.474 54.529 53.050 0.007 0.000 0.858 311 N CB -0.449 38.030 38.487 -0.014 0.000 0.989 311 N HN 0.456 nan 8.380 nan 0.000 0.426 312 A N -0.227 122.604 122.820 0.019 0.000 2.251 312 A HA 0.427 4.748 4.320 0.001 0.000 0.209 312 A C 1.195 178.813 177.584 0.058 0.000 1.187 312 A CA 0.509 52.549 52.037 0.005 0.000 0.823 312 A CB -0.441 18.584 19.000 0.040 0.000 0.846 312 A HN 0.265 nan 8.150 nan 0.000 0.486 313 G N -0.443 108.419 108.800 0.104 0.000 2.272 313 G HA2 -0.151 3.809 3.960 0.001 0.000 0.280 313 G HA3 -0.151 3.809 3.960 0.001 0.000 0.280 313 G C -0.079 174.950 174.900 0.216 0.000 1.067 313 G CA 0.230 45.440 45.100 0.183 0.000 0.902 313 G HN 0.965 nan 8.290 nan 0.000 0.500 314 V N -0.546 119.455 119.914 0.145 0.000 2.394 314 V HA 0.472 4.593 4.120 0.001 0.000 0.282 314 V C 0.658 176.738 176.094 -0.024 0.000 1.031 314 V CA -1.256 61.071 62.300 0.045 0.000 0.881 314 V CB 1.586 33.475 31.823 0.110 0.000 0.982 314 V HN 0.339 nan 8.190 nan 0.000 0.451 315 K N 4.510 124.838 120.400 -0.119 0.000 2.416 315 K HA 0.362 4.682 4.320 0.001 0.000 0.283 315 K C -0.330 176.285 176.600 0.026 0.000 1.037 315 K CA 0.518 56.786 56.287 -0.033 0.000 0.995 315 K CB 0.356 32.831 32.500 -0.042 0.000 0.938 315 K HN 0.622 nan 8.250 nan 0.000 0.475 316 M N 2.437 122.064 119.600 0.045 0.000 2.101 316 M HA 0.290 4.770 4.480 0.001 0.000 0.340 316 M C 0.387 176.728 176.300 0.068 0.000 1.057 316 M CA -0.457 54.852 55.300 0.016 0.000 0.984 316 M CB 1.801 34.410 32.600 0.015 0.000 1.560 316 M HN 0.750 nan 8.290 nan 0.000 0.435 317 G N 2.030 110.861 108.800 0.050 0.000 2.477 317 G HA2 0.529 4.489 3.960 0.001 0.000 0.304 317 G HA3 0.529 4.489 3.960 0.001 0.000 0.304 317 G C -1.487 173.462 174.900 0.082 0.000 1.175 317 G CA -0.448 44.699 45.100 0.079 0.000 0.907 317 G HN 0.582 nan 8.290 nan 0.000 0.509 318 F N 0.272 120.211 119.950 -0.019 0.000 2.385 318 F HA 0.619 5.146 4.527 0.000 0.000 0.336 318 F C 0.557 176.338 175.800 -0.031 0.000 1.100 318 F CA 0.200 58.164 58.000 -0.061 0.000 1.116 318 F CB 1.712 40.660 39.000 -0.086 0.000 1.166 318 F HN 0.613 nan 8.300 nan 0.000 0.511 319 G N 2.264 110.782 108.800 -0.469 0.000 2.760 319 G HA2 0.374 4.334 3.960 0.001 0.000 0.296 319 G HA3 0.374 4.334 3.960 0.001 0.000 0.296 319 G C -0.586 174.088 174.900 -0.377 0.000 1.427 319 G CA -0.081 44.876 45.100 -0.239 0.000 1.109 319 G HN 0.830 nan 8.290 nan 0.000 0.553 320 S N 1.013 116.609 115.700 -0.173 0.000 2.452 320 S HA 0.142 4.612 4.470 0.001 0.000 0.225 320 S C 0.908 175.455 174.600 -0.089 0.000 1.057 320 S CA 1.361 59.476 58.200 -0.142 0.000 0.949 320 S CB -0.037 63.131 63.200 -0.053 0.000 0.836 320 S HN 1.328 nan 8.310 nan 0.000 0.518 321 D N 0.535 120.948 120.400 0.021 0.000 2.705 321 D HA -0.133 4.508 4.640 0.001 0.000 0.240 321 D C -0.805 175.506 176.300 0.019 0.000 1.137 321 D CA 0.413 54.505 54.000 0.153 0.000 0.677 321 D CB -1.948 38.965 40.800 0.188 0.000 1.049 321 D HN 0.567 nan 8.370 nan 0.000 0.427 322 L N 0.102 121.260 121.223 -0.108 0.000 2.360 322 L HA 0.612 4.953 4.340 0.001 0.000 0.271 322 L C 0.483 177.045 176.870 -0.512 0.000 1.057 322 L CA -1.012 53.645 54.840 -0.306 0.000 0.803 322 L CB 1.289 43.149 42.059 -0.331 0.000 1.207 322 L HN 0.079 nan 8.230 nan 0.000 0.445 323 L N 1.746 122.780 121.223 -0.316 0.000 2.356 323 L HA 0.725 5.065 4.340 0.001 0.000 0.277 323 L C 0.608 177.450 176.870 -0.047 0.000 0.996 323 L CA -0.464 54.288 54.840 -0.147 0.000 0.822 323 L CB 1.377 43.407 42.059 -0.049 0.000 1.256 323 L HN 0.869 nan 8.230 nan 0.000 0.413 324 G N 2.455 111.316 108.800 0.101 0.000 2.525 324 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 324 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 324 G C 0.644 175.628 174.900 0.139 0.000 1.238 324 G CA 0.293 45.452 45.100 0.098 0.000 0.926 324 G HN 0.854 nan 8.290 nan 0.000 0.574 325 E N 0.568 120.720 120.200 -0.081 0.000 2.472 325 E HA 0.005 4.355 4.350 0.001 0.000 0.200 325 E C 2.336 178.934 176.600 -0.003 0.000 1.046 325 E CA 1.250 57.576 56.400 -0.123 0.000 0.871 325 E CB -0.192 29.288 29.700 -0.367 0.000 0.806 325 E HN 0.670 nan 8.360 nan 0.000 0.533 326 M N 0.389 120.059 119.600 0.116 0.000 2.659 326 M HA 0.011 4.492 4.480 0.001 0.000 0.243 326 M C 1.049 177.508 176.300 0.266 0.000 1.111 326 M CA 0.544 56.054 55.300 0.350 0.000 1.070 326 M CB -0.367 32.407 32.600 0.290 0.000 1.525 326 M HN 0.140 nan 8.290 nan 0.000 0.517 327 H N -0.038 119.105 119.070 0.122 0.000 2.489 327 H HA -0.038 4.518 4.556 0.000 0.000 0.293 327 H C 2.135 177.499 175.328 0.060 0.000 1.066 327 H CA 1.426 57.521 56.048 0.079 0.000 1.305 327 H CB 0.118 29.892 29.762 0.022 0.000 1.386 327 H HN 0.451 nan 8.280 nan 0.000 0.551 328 A N 0.195 123.067 122.820 0.087 0.000 2.019 328 A HA -0.152 4.168 4.320 0.001 0.000 0.219 328 A C 1.460 178.988 177.584 -0.095 0.000 1.164 328 A CA 1.046 53.034 52.037 -0.081 0.000 0.644 328 A CB -0.775 18.059 19.000 -0.276 0.000 0.805 328 A HN 0.391 nan 8.150 nan 0.000 0.449 329 F N 0.047 120.046 119.950 0.082 0.000 2.802 329 F HA -0.014 4.514 4.527 0.001 0.000 0.300 329 F C 2.187 178.061 175.800 0.125 0.000 1.168 329 F CA 0.844 58.900 58.000 0.092 0.000 1.433 329 F CB -0.301 38.740 39.000 0.068 0.000 1.115 329 F HN 0.370 nan 8.300 nan 0.000 0.582 330 Q N 0.253 120.216 119.800 0.272 0.000 2.112 330 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 330 Q C 2.066 178.322 176.000 0.427 0.000 0.987 330 Q CA 2.104 58.065 55.803 0.263 0.000 0.858 330 Q CB -0.106 28.730 28.738 0.164 0.000 0.905 330 Q HN 0.299 nan 8.270 nan 0.000 0.420 331 S N -0.556 115.424 115.700 0.467 0.000 2.522 331 S HA -0.006 4.464 4.470 0.001 0.000 0.227 331 S C 1.549 176.461 174.600 0.520 0.000 0.986 331 S CA 0.582 59.127 58.200 0.575 0.000 0.929 331 S CB 0.053 63.495 63.200 0.403 0.000 0.769 331 S HN 0.628 nan 8.310 nan 0.000 0.529 332 G N 1.300 110.323 108.800 0.372 0.000 2.559 332 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 332 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 332 G C 1.159 176.205 174.900 0.243 0.000 1.126 332 G CA 0.639 45.915 45.100 0.293 0.000 0.778 332 G HN 0.529 nan 8.290 nan 0.000 0.543 333 E N -0.178 120.152 120.200 0.216 0.000 2.347 333 E HA 0.011 4.361 4.350 0.001 0.000 0.196 333 E C 1.718 178.383 176.600 0.109 0.000 1.008 333 E CA 0.313 56.703 56.400 -0.015 0.000 0.852 333 E CB -0.294 29.128 29.700 -0.464 0.000 0.783 333 E HN 0.421 nan 8.360 nan 0.000 0.505 334 F N 0.488 120.702 119.950 0.439 0.000 2.113 334 F HA -0.009 4.519 4.527 0.001 0.000 0.297 334 F C 2.545 178.436 175.800 0.151 0.000 1.103 334 F CA 1.428 59.613 58.000 0.309 0.000 1.248 334 F CB -0.357 38.698 39.000 0.091 0.000 0.999 334 F HN 0.000 nan 8.300 nan 0.000 0.475 335 R N 0.479 121.174 120.500 0.324 0.000 2.081 335 R HA -0.134 4.206 4.340 0.001 0.000 0.235 335 R C 2.173 178.560 176.300 0.145 0.000 1.131 335 R CA 1.471 57.688 56.100 0.194 0.000 0.960 335 R CB -0.491 29.908 30.300 0.165 0.000 0.856 335 R HN 0.293 nan 8.270 nan 0.000 0.436 336 I N -0.170 120.478 120.570 0.131 0.000 2.493 336 I HA -0.215 3.955 4.170 0.001 0.000 0.254 336 I C 2.178 178.342 176.117 0.078 0.000 1.160 336 I CA 1.113 62.464 61.300 0.085 0.000 1.445 336 I CB -0.095 37.940 38.000 0.059 0.000 1.086 336 I HN 0.127 nan 8.210 nan 0.000 0.433 337 R N 0.340 120.899 120.500 0.099 0.000 2.173 337 R HA 0.128 4.469 4.340 0.001 0.000 0.208 337 R C 2.412 178.781 176.300 0.114 0.000 1.035 337 R CA 0.908 57.067 56.100 0.098 0.000 1.004 337 R CB -0.132 30.231 30.300 0.105 0.000 0.917 337 R HN 0.270 nan 8.270 nan 0.000 0.462 338 A N 1.222 124.122 122.820 0.134 0.000 1.929 338 A HA -0.142 4.179 4.320 0.001 0.000 0.216 338 A C 1.694 179.326 177.584 0.081 0.000 1.176 338 A CA 1.141 53.245 52.037 0.111 0.000 0.628 338 A CB -0.174 18.895 19.000 0.116 0.000 0.816 338 A HN 0.246 nan 8.150 nan 0.000 0.444 339 E N -0.571 119.675 120.200 0.077 0.000 2.338 339 E HA -0.066 4.284 4.350 0.001 0.000 0.197 339 E C 1.543 178.174 176.600 0.050 0.000 1.007 339 E CA 1.090 57.525 56.400 0.059 0.000 0.849 339 E CB 0.021 29.755 29.700 0.057 0.000 0.774 339 E HN 0.475 nan 8.360 nan 0.000 0.506 340 V N -0.332 119.616 119.914 0.056 0.000 3.048 340 V HA 0.016 4.136 4.120 0.001 0.000 0.241 340 V C 1.418 177.543 176.094 0.051 0.000 1.129 340 V CA 0.752 63.081 62.300 0.049 0.000 1.128 340 V CB 0.256 32.109 31.823 0.050 0.000 0.849 340 V HN 0.181 nan 8.190 nan 0.000 0.475 341 L N -0.019 121.241 121.223 0.062 0.000 3.086 341 L HA 0.687 5.027 4.340 0.001 0.000 0.274 341 L C 0.794 177.702 176.870 0.064 0.000 1.184 341 L CA 0.377 55.255 54.840 0.064 0.000 1.002 341 L CB 0.602 42.706 42.059 0.075 0.000 1.383 341 L HN 0.386 nan 8.230 nan 0.000 0.582 342 G N 1.545 110.383 108.800 0.064 0.000 2.721 342 G HA2 -0.231 3.729 3.960 0.001 0.000 0.686 342 G HA3 -0.231 3.729 3.960 0.001 0.000 0.686 342 G C 0.260 175.205 174.900 0.074 0.000 1.236 342 G CA -0.071 45.065 45.100 0.060 0.000 0.786 342 G HN 0.384 nan 8.290 nan 0.000 0.616 343 N N 0.697 119.435 118.700 0.065 0.000 2.512 343 N HA -0.061 4.679 4.740 0.001 0.000 0.183 343 N C 2.157 177.705 175.510 0.063 0.000 1.073 343 N CA 0.791 53.882 53.050 0.069 0.000 0.911 343 N CB 0.527 39.039 38.487 0.041 0.000 0.964 343 N HN 0.502 nan 8.380 nan 0.000 0.447 344 L N 0.949 122.205 121.223 0.055 0.000 2.072 344 L HA -0.079 4.261 4.340 0.001 0.000 0.205 344 L C 2.414 179.328 176.870 0.073 0.000 1.079 344 L CA 1.383 56.254 54.840 0.051 0.000 0.752 344 L CB -0.071 42.011 42.059 0.039 0.000 0.906 344 L HN 0.055 nan 8.230 nan 0.000 0.436 345 E N -0.034 120.215 120.200 0.081 0.000 2.208 345 E HA -0.114 4.236 4.350 0.001 0.000 0.193 345 E C 1.930 178.610 176.600 0.132 0.000 0.988 345 E CA 1.109 57.566 56.400 0.095 0.000 0.828 345 E CB 0.055 29.806 29.700 0.084 0.000 0.763 345 E HN 0.457 nan 8.360 nan 0.000 0.478 346 A N -0.054 122.860 122.820 0.157 0.000 1.968 346 A HA -0.053 4.267 4.320 0.001 0.000 0.217 346 A C 2.046 179.829 177.584 0.332 0.000 1.169 346 A CA 0.900 53.084 52.037 0.244 0.000 0.638 346 A CB -0.377 18.784 19.000 0.268 0.000 0.812 346 A HN 0.310 nan 8.150 nan 0.000 0.446 347 L N -1.470 119.890 121.223 0.228 0.000 2.341 347 L HA 0.026 4.366 4.340 0.001 0.000 0.214 347 L C 2.611 179.589 176.870 0.181 0.000 1.115 347 L CA 0.383 55.344 54.840 0.201 0.000 0.820 347 L CB -0.266 41.829 42.059 0.060 0.000 0.944 347 L HN 0.296 nan 8.230 nan 0.000 0.452 348 R N -0.437 120.153 120.500 0.149 0.000 2.148 348 R HA -0.069 4.271 4.340 0.001 0.000 0.227 348 R C 2.409 178.795 176.300 0.144 0.000 1.103 348 R CA 1.226 57.402 56.100 0.126 0.000 0.983 348 R CB -0.177 30.183 30.300 0.101 0.000 0.874 348 R HN 0.297 nan 8.270 nan 0.000 0.451 349 S N 0.869 116.675 115.700 0.177 0.000 2.383 349 S HA -0.144 4.327 4.470 0.001 0.000 0.229 349 S C 1.797 176.524 174.600 0.213 0.000 1.030 349 S CA 1.424 59.745 58.200 0.201 0.000 1.002 349 S CB 0.016 63.380 63.200 0.272 0.000 0.829 349 S HN 0.442 nan 8.310 nan 0.000 0.467 350 A N 0.763 123.683 122.820 0.168 0.000 2.387 350 A HA 0.357 4.677 4.320 0.001 0.000 0.234 350 A C 1.625 179.316 177.584 0.179 0.000 1.253 350 A CA 0.719 52.833 52.037 0.129 0.000 0.894 350 A CB -0.207 18.730 19.000 -0.106 0.000 0.963 350 A HN 0.569 nan 8.150 nan 0.000 0.508 351 T N -4.606 110.039 114.554 0.151 0.000 3.349 351 T HA 0.022 4.373 4.350 0.001 0.000 0.169 351 T C 1.864 176.613 174.700 0.081 0.000 0.938 351 T CA 1.129 63.299 62.100 0.117 0.000 1.017 351 T CB -0.863 68.073 68.868 0.113 0.000 1.476 351 T HN 0.249 nan 8.240 nan 0.000 0.327 352 T N 1.210 115.808 114.554 0.074 0.000 2.821 352 T HA -0.009 4.342 4.350 0.001 0.000 0.267 352 T C 2.047 176.782 174.700 0.058 0.000 1.046 352 T CA 1.347 63.480 62.100 0.056 0.000 1.139 352 T CB -1.040 67.860 68.868 0.053 0.000 0.871 352 T HN 0.211 nan 8.240 nan 0.000 0.454 353 V N 2.111 122.073 119.914 0.080 0.000 2.379 353 V HA 0.050 4.170 4.120 0.001 0.000 0.245 353 V C 3.252 179.362 176.094 0.027 0.000 1.044 353 V CA 1.305 63.663 62.300 0.097 0.000 1.036 353 V CB -1.400 30.502 31.823 0.132 0.000 0.664 353 V HN 0.643 nan 8.190 nan 0.000 0.453 354 A N 0.268 123.111 122.820 0.039 0.000 1.933 354 A HA -0.117 4.203 4.320 0.001 0.000 0.218 354 A C 2.364 179.911 177.584 -0.061 0.000 1.175 354 A CA 2.110 54.153 52.037 0.010 0.000 0.628 354 A CB -0.676 18.381 19.000 0.095 0.000 0.814 354 A HN 0.569 nan 8.150 nan 0.000 0.444 355 A N -0.824 121.974 122.820 -0.036 0.000 2.014 355 A HA -0.066 4.254 4.320 0.001 0.000 0.218 355 A C 1.963 179.472 177.584 -0.124 0.000 1.163 355 A CA 1.464 53.461 52.037 -0.067 0.000 0.652 355 A CB -0.378 18.613 19.000 -0.015 0.000 0.808 355 A HN 0.647 nan 8.150 nan 0.000 0.449 356 E N -0.094 120.036 120.200 -0.117 0.000 2.152 356 E HA -0.117 4.233 4.350 0.001 0.000 0.192 356 E C 1.755 178.129 176.600 -0.376 0.000 0.983 356 E CA 0.854 57.170 56.400 -0.139 0.000 0.818 356 E CB -0.155 29.552 29.700 0.012 0.000 0.758 356 E HN 0.693 nan 8.360 nan 0.000 0.467 357 I N 0.804 121.039 120.570 -0.557 0.000 2.142 357 I HA -0.215 3.955 4.170 0.001 0.000 0.240 357 I C 2.202 177.962 176.117 -0.595 0.000 1.078 357 I CA 1.025 61.830 61.300 -0.824 0.000 1.343 357 I CB -0.152 37.457 38.000 -0.653 0.000 1.046 357 I HN 0.104 nan 8.210 nan 0.000 0.405 358 V N -1.538 118.133 119.914 -0.405 0.000 3.636 358 V HA 0.181 4.301 4.120 0.001 0.000 0.279 358 V C 0.356 176.263 176.094 -0.312 0.000 1.263 358 V CA 0.188 62.249 62.300 -0.398 0.000 1.182 358 V CB -1.621 29.770 31.823 -0.721 0.000 0.955 358 V HN 0.609 nan 8.190 nan 0.000 0.443 359 N N 0.402 118.957 118.700 -0.243 0.000 2.725 359 N HA -0.179 4.562 4.740 0.001 0.000 0.249 359 N C 0.263 175.713 175.510 -0.100 0.000 1.103 359 N CA 1.364 54.329 53.050 -0.141 0.000 0.707 359 N CB -0.865 37.575 38.487 -0.079 0.000 1.043 359 N HN 0.544 nan 8.380 nan 0.000 0.553 360 M N 0.403 119.933 119.600 -0.117 0.000 2.972 360 M HA 0.073 4.554 4.480 0.001 0.000 0.323 360 M C 0.202 176.482 176.300 -0.034 0.000 1.213 360 M CA -0.052 55.215 55.300 -0.054 0.000 0.935 360 M CB 0.166 32.745 32.600 -0.036 0.000 1.289 360 M HN 0.165 nan 8.290 nan 0.000 0.525 361 Q N 0.327 120.105 119.800 -0.036 0.000 2.262 361 Q HA 0.338 4.678 4.340 0.001 0.000 0.272 361 Q C 0.638 176.637 176.000 -0.003 0.000 1.076 361 Q CA 0.818 56.611 55.803 -0.017 0.000 0.905 361 Q CB 0.261 28.992 28.738 -0.012 0.000 1.182 361 Q HN 0.703 nan 8.270 nan 0.000 0.390 362 G N 2.460 111.262 108.800 0.003 0.000 2.176 362 G HA2 -0.328 3.633 3.960 0.001 0.000 0.252 362 G HA3 -0.328 3.633 3.960 0.001 0.000 0.252 362 G C 0.289 175.195 174.900 0.009 0.000 1.024 362 G CA 0.674 45.778 45.100 0.007 0.000 0.755 362 G HN 0.637 nan 8.290 nan 0.000 0.507 363 Q N -1.828 117.979 119.800 0.012 0.000 2.330 363 Q HA 0.591 4.931 4.340 0.001 0.000 0.254 363 Q C 0.771 176.788 176.000 0.029 0.000 0.777 363 Q CA 0.339 56.155 55.803 0.021 0.000 0.972 363 Q CB 0.640 29.393 28.738 0.025 0.000 1.236 363 Q HN 0.540 nan 8.270 nan 0.000 0.508 364 L N -1.883 119.357 121.223 0.028 0.000 2.303 364 L HA 0.653 4.993 4.340 0.001 0.000 0.256 364 L C 0.482 177.368 176.870 0.026 0.000 1.034 364 L CA -0.183 54.679 54.840 0.037 0.000 0.832 364 L CB 2.254 44.355 42.059 0.069 0.000 1.403 364 L HN 0.241 nan 8.230 nan 0.000 0.419 365 G N 0.593 109.411 108.800 0.029 0.000 2.189 365 G HA2 -0.227 3.734 3.960 0.001 0.000 0.267 365 G HA3 -0.227 3.734 3.960 0.001 0.000 0.267 365 G C -0.351 174.562 174.900 0.022 0.000 0.975 365 G CA 0.455 45.575 45.100 0.034 0.000 0.644 365 G HN 0.662 nan 8.290 nan 0.000 0.537 366 V N 1.171 121.091 119.914 0.010 0.000 2.655 366 V HA 0.592 4.712 4.120 0.001 0.000 0.301 366 V C 0.076 176.167 176.094 -0.006 0.000 1.082 366 V CA -1.156 61.146 62.300 0.003 0.000 0.899 366 V CB 1.338 33.165 31.823 0.007 0.000 1.014 366 V HN 0.380 nan 8.190 nan 0.000 0.429 367 I N 7.331 127.892 120.570 -0.015 0.000 2.453 367 I HA 0.473 4.644 4.170 0.001 0.000 0.300 367 I C 0.739 176.848 176.117 -0.013 0.000 1.159 367 I CA 0.777 62.066 61.300 -0.018 0.000 1.379 367 I CB -0.019 37.965 38.000 -0.027 0.000 1.460 367 I HN 0.757 nan 8.210 nan 0.000 0.601 368 A N 5.662 128.479 122.820 -0.005 0.000 2.389 368 A HA 0.752 5.073 4.320 0.001 0.000 0.293 368 A C -0.369 177.218 177.584 0.004 0.000 1.186 368 A CA -0.563 51.473 52.037 -0.001 0.000 0.828 368 A CB 1.386 20.387 19.000 0.001 0.000 1.369 368 A HN 0.250 nan 8.150 nan 0.000 0.446 369 V N 1.274 121.192 119.914 0.007 0.000 2.313 369 V HA 0.515 4.636 4.120 0.001 0.000 0.252 369 V C 1.220 177.319 176.094 0.008 0.000 1.112 369 V CA 1.140 63.446 62.300 0.010 0.000 0.984 369 V CB -0.718 31.112 31.823 0.012 0.000 1.157 369 V HN 1.880 nan 8.190 nan 0.000 0.493 370 G N 3.502 112.306 108.800 0.008 0.000 2.380 370 G HA2 -0.039 3.922 3.960 0.001 0.000 0.197 370 G HA3 -0.039 3.922 3.960 0.001 0.000 0.197 370 G C 0.481 175.386 174.900 0.008 0.000 1.001 370 G CA 0.038 45.143 45.100 0.007 0.000 0.668 370 G HN 1.165 nan 8.290 nan 0.000 0.483 371 A N 0.564 123.388 122.820 0.007 0.000 2.386 371 A HA 0.682 5.002 4.320 0.001 0.000 0.246 371 A C 0.832 178.421 177.584 0.007 0.000 1.089 371 A CA 0.144 52.186 52.037 0.009 0.000 0.790 371 A CB 0.043 19.047 19.000 0.008 0.000 1.042 371 A HN 0.899 nan 8.150 nan 0.000 0.497 372 I N 0.070 120.647 120.570 0.011 0.000 2.754 372 I HA 0.210 4.380 4.170 0.001 0.000 0.285 372 I C 1.079 177.195 176.117 -0.002 0.000 1.166 372 I CA 0.335 61.640 61.300 0.008 0.000 1.417 372 I CB 0.720 38.731 38.000 0.018 0.000 1.382 372 I HN 0.610 nan 8.210 nan 0.000 0.588 373 A N 3.873 126.688 122.820 -0.009 0.000 3.260 373 A HA 0.255 4.575 4.320 0.001 0.000 0.268 373 A C -0.410 177.155 177.584 -0.030 0.000 1.491 373 A CA -0.475 51.550 52.037 -0.020 0.000 1.181 373 A CB -1.027 17.961 19.000 -0.021 0.000 1.137 373 A HN 0.693 nan 8.150 nan 0.000 0.642 374 D N 1.176 121.558 120.400 -0.031 0.000 2.435 374 D HA 0.438 5.079 4.640 0.001 0.000 0.230 374 D C -0.297 175.951 176.300 -0.087 0.000 1.215 374 D CA 0.641 54.612 54.000 -0.048 0.000 0.947 374 D CB 0.334 41.118 40.800 -0.026 0.000 1.048 374 D HN 0.410 nan 8.370 nan 0.000 0.512 375 L N 1.466 122.630 121.223 -0.099 0.000 2.354 375 L HA 0.638 4.978 4.340 0.001 0.000 0.269 375 L C -0.549 176.220 176.870 -0.168 0.000 1.005 375 L CA -1.229 53.536 54.840 -0.124 0.000 0.819 375 L CB 2.171 44.182 42.059 -0.079 0.000 1.311 375 L HN -0.055 nan 8.230 nan 0.000 0.423 376 V N 2.785 122.563 119.914 -0.227 0.000 2.444 376 V HA 0.361 4.481 4.120 0.001 0.000 0.294 376 V C -0.215 175.797 176.094 -0.137 0.000 1.022 376 V CA -0.639 61.507 62.300 -0.258 0.000 0.850 376 V CB 2.213 33.695 31.823 -0.569 0.000 0.992 376 V HN 0.395 nan 8.190 nan 0.000 0.426 377 V N 6.510 126.396 119.914 -0.047 0.000 2.407 377 V HA 0.500 4.620 4.120 0.001 0.000 0.278 377 V C -0.300 175.787 176.094 -0.011 0.000 1.037 377 V CA -0.350 61.961 62.300 0.018 0.000 0.900 377 V CB 1.486 33.410 31.823 0.169 0.000 0.983 377 V HN 0.636 nan 8.190 nan 0.000 0.459 378 L N 4.103 125.315 121.223 -0.018 0.000 2.386 378 L HA 0.566 4.906 4.340 0.001 0.000 0.271 378 L C -0.456 176.399 176.870 -0.025 0.000 0.993 378 L CA -0.283 54.541 54.840 -0.027 0.000 0.819 378 L CB 2.165 44.211 42.059 -0.021 0.000 1.294 378 L HN 0.654 nan 8.230 nan 0.000 0.414 379 D N 3.357 123.738 120.400 -0.031 0.000 2.522 379 D HA 0.579 5.220 4.640 0.001 0.000 0.218 379 D C 0.077 176.362 176.300 -0.026 0.000 1.149 379 D CA 1.065 55.048 54.000 -0.028 0.000 0.981 379 D CB 0.046 40.825 40.800 -0.034 0.000 1.041 379 D HN 0.853 nan 8.370 nan 0.000 0.518 380 G N 2.176 110.960 108.800 -0.026 0.000 2.361 380 G HA2 0.005 3.966 3.960 0.001 0.000 0.331 380 G HA3 0.005 3.966 3.960 0.001 0.000 0.331 380 G C -1.325 173.556 174.900 -0.032 0.000 1.324 380 G CA -1.199 43.886 45.100 -0.026 0.000 0.984 380 G HN 0.398 nan 8.290 nan 0.000 0.586 381 N N 1.045 119.727 118.700 -0.030 0.000 2.476 381 N HA 0.589 5.329 4.740 0.001 0.000 0.257 381 N C -0.824 174.663 175.510 -0.038 0.000 0.970 381 N CA -2.227 50.803 53.050 -0.033 0.000 0.938 381 N CB 2.362 40.833 38.487 -0.026 0.000 1.144 381 N HN 0.166 nan 8.380 nan 0.000 0.500 382 P HA -0.108 nan 4.420 nan 0.000 0.223 382 P C 1.261 178.534 177.300 -0.046 0.000 1.151 382 P CA 0.419 63.474 63.100 -0.074 0.000 0.787 382 P CB 0.619 32.247 31.700 -0.120 0.000 0.788 383 L N 0.496 121.701 121.223 -0.029 0.000 2.005 383 L HA -0.107 4.234 4.340 0.001 0.000 0.207 383 L C 2.553 179.420 176.870 -0.005 0.000 1.072 383 L CA 1.918 56.751 54.840 -0.012 0.000 0.744 383 L CB -1.515 40.538 42.059 -0.010 0.000 0.895 383 L HN -0.078 nan 8.230 nan 0.000 0.433 384 E N -0.875 119.320 120.200 -0.008 0.000 2.112 384 E HA -0.062 4.289 4.350 0.001 0.000 0.190 384 E C 0.108 176.708 176.600 -0.001 0.000 0.979 384 E CA 0.647 57.046 56.400 -0.002 0.000 0.814 384 E CB 0.004 29.702 29.700 -0.003 0.000 0.762 384 E HN 0.385 nan 8.360 nan 0.000 0.460 385 D N -0.711 119.684 120.400 -0.008 0.000 2.616 385 D HA 0.123 4.764 4.640 0.001 0.000 0.238 385 D C -0.053 176.235 176.300 -0.020 0.000 1.354 385 D CA -0.366 53.631 54.000 -0.006 0.000 0.970 385 D CB 0.921 41.719 40.800 -0.003 0.000 1.369 385 D HN -0.219 nan 8.370 nan 0.000 0.585 386 I N 3.380 123.943 120.570 -0.012 0.000 3.334 386 I HA 0.192 4.362 4.170 0.001 0.000 0.282 386 I C 1.948 178.044 176.117 -0.037 0.000 1.313 386 I CA 0.879 62.159 61.300 -0.034 0.000 1.396 386 I CB -0.209 37.800 38.000 0.016 0.000 1.054 386 I HN 0.653 nan 8.210 nan 0.000 0.495 387 G N -0.062 108.732 108.800 -0.011 0.000 2.471 387 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 387 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 387 G C 1.539 176.426 174.900 -0.022 0.000 1.125 387 G CA 0.972 46.072 45.100 -0.000 0.000 0.775 387 G HN 0.449 nan 8.290 nan 0.000 0.548 388 V N -1.657 118.229 119.914 -0.046 0.000 3.510 388 V HA 0.161 4.281 4.120 0.001 0.000 0.270 388 V C 1.848 177.889 176.094 -0.087 0.000 1.201 388 V CA 0.948 63.217 62.300 -0.052 0.000 1.166 388 V CB -0.016 31.780 31.823 -0.046 0.000 0.825 388 V HN 0.123 nan 8.190 nan 0.000 0.484 389 V N -0.030 119.792 119.914 -0.154 0.000 2.996 389 V HA 0.388 4.508 4.120 0.001 0.000 0.235 389 V C 2.671 178.673 176.094 -0.152 0.000 1.205 389 V CA 1.035 63.166 62.300 -0.282 0.000 1.225 389 V CB -0.148 31.224 31.823 -0.751 0.000 0.995 389 V HN 0.446 nan 8.190 nan 0.000 0.484 390 A N -0.124 122.660 122.820 -0.060 0.000 2.119 390 A HA -0.098 4.222 4.320 0.001 0.000 0.217 390 A C 1.233 178.893 177.584 0.127 0.000 1.153 390 A CA 1.308 53.413 52.037 0.113 0.000 0.692 390 A CB -0.423 18.673 19.000 0.160 0.000 0.799 390 A HN 0.498 nan 8.150 nan 0.000 0.458 391 D N 0.136 120.580 120.400 0.072 0.000 2.896 391 D HA 0.220 4.860 4.640 0.001 0.000 0.240 391 D C 0.486 176.824 176.300 0.064 0.000 1.193 391 D CA 0.027 54.069 54.000 0.071 0.000 0.983 391 D CB -0.745 40.082 40.800 0.046 0.000 1.074 391 D HN 0.419 nan 8.370 nan 0.000 0.496 392 E N 0.902 121.161 120.200 0.097 0.000 3.065 392 E HA -0.261 4.089 4.350 0.001 0.000 0.277 392 E C 0.583 177.237 176.600 0.090 0.000 1.008 392 E CA 0.611 57.069 56.400 0.096 0.000 0.864 392 E CB -1.112 28.610 29.700 0.036 0.000 1.439 392 E HN 0.698 nan 8.360 nan 0.000 0.445 393 G N -1.460 107.386 108.800 0.076 0.000 2.368 393 G HA2 -0.160 3.801 3.960 0.001 0.000 0.290 393 G HA3 -0.160 3.801 3.960 0.001 0.000 0.290 393 G C 0.546 175.459 174.900 0.021 0.000 1.098 393 G CA 0.520 45.651 45.100 0.053 0.000 1.073 393 G HN 0.784 nan 8.290 nan 0.000 0.511 394 A N -0.201 122.626 122.820 0.011 0.000 2.119 394 A HA 0.291 4.611 4.320 0.001 0.000 0.217 394 A C 1.835 179.409 177.584 -0.016 0.000 1.153 394 A CA 1.485 53.521 52.037 -0.002 0.000 0.692 394 A CB 0.082 19.083 19.000 0.002 0.000 0.799 394 A HN 0.576 nan 8.150 nan 0.000 0.458 395 R N -0.976 119.512 120.500 -0.019 0.000 2.772 395 R HA 0.335 4.676 4.340 0.001 0.000 0.358 395 R C -1.082 175.193 176.300 -0.041 0.000 1.143 395 R CA -0.011 56.069 56.100 -0.033 0.000 1.153 395 R CB 1.327 31.610 30.300 -0.028 0.000 1.329 395 R HN 0.158 nan 8.270 nan 0.000 0.615 396 V N 1.405 121.291 119.914 -0.047 0.000 2.495 396 V HA 0.283 4.403 4.120 0.001 0.000 0.298 396 V C 0.361 176.381 176.094 -0.124 0.000 1.031 396 V CA -0.346 61.915 62.300 -0.064 0.000 0.871 396 V CB 1.516 33.322 31.823 -0.028 0.000 0.988 396 V HN 0.416 nan 8.190 nan 0.000 0.432 397 E N 5.718 125.799 120.200 -0.199 0.000 2.176 397 E HA 0.078 4.429 4.350 0.001 0.000 0.194 397 E C -0.564 175.776 176.600 -0.434 0.000 0.947 397 E CA 0.362 56.513 56.400 -0.416 0.000 0.960 397 E CB 0.079 29.368 29.700 -0.684 0.000 1.002 397 E HN 0.635 nan 8.360 nan 0.000 0.479 398 Y N 1.615 121.888 120.300 -0.045 0.000 2.335 398 Y HA 0.446 4.996 4.550 0.001 0.000 0.339 398 Y C -0.111 175.745 175.900 -0.073 0.000 0.987 398 Y CA -0.951 57.119 58.100 -0.050 0.000 1.140 398 Y CB 1.876 40.309 38.460 -0.044 0.000 1.173 398 Y HN -0.175 nan 8.280 nan 0.000 0.486 399 V N 5.888 125.839 119.914 0.062 0.000 2.384 399 V HA 0.426 4.546 4.120 0.001 0.000 0.287 399 V C -0.505 175.589 176.094 -0.001 0.000 1.020 399 V CA -0.760 61.532 62.300 -0.014 0.000 0.850 399 V CB 1.291 33.088 31.823 -0.043 0.000 0.987 399 V HN 0.516 nan 8.190 nan 0.000 0.436 400 L N 4.604 125.810 121.223 -0.029 0.000 2.346 400 L HA 0.652 4.993 4.340 0.001 0.000 0.276 400 L C -0.256 176.589 176.870 -0.042 0.000 1.006 400 L CA 0.026 54.849 54.840 -0.028 0.000 0.817 400 L CB 1.767 43.807 42.059 -0.031 0.000 1.272 400 L HN 0.668 nan 8.230 nan 0.000 0.421 401 Q N 3.127 122.907 119.800 -0.033 0.000 2.285 401 Q HA 0.444 4.785 4.340 0.001 0.000 0.269 401 Q C -0.735 175.247 176.000 -0.030 0.000 1.030 401 Q CA -0.722 55.061 55.803 -0.034 0.000 0.788 401 Q CB 1.314 30.031 28.738 -0.035 0.000 1.266 401 Q HN 0.494 nan 8.270 nan 0.000 0.438 402 R N 2.676 123.160 120.500 -0.027 0.000 3.322 402 R HA -0.303 4.037 4.340 0.001 0.000 0.253 402 R C 0.646 176.933 176.300 -0.022 0.000 0.987 402 R CA 0.836 56.923 56.100 -0.022 0.000 0.666 402 R CB -2.195 28.090 30.300 -0.026 0.000 1.072 402 R HN 1.188 nan 8.270 nan 0.000 0.447 403 G N -1.116 107.670 108.800 -0.022 0.000 2.708 403 G HA2 -0.439 3.521 3.960 0.001 0.000 0.229 403 G HA3 -0.439 3.521 3.960 0.001 0.000 0.229 403 G C 0.339 175.224 174.900 -0.025 0.000 1.236 403 G CA 0.906 45.992 45.100 -0.023 0.000 0.749 403 G HN 0.944 nan 8.290 nan 0.000 0.515 404 T N 0.578 115.118 114.554 -0.024 0.000 2.919 404 T HA 0.556 4.907 4.350 0.001 0.000 0.302 404 T C 0.534 175.222 174.700 -0.020 0.000 1.031 404 T CA 0.179 62.266 62.100 -0.022 0.000 1.127 404 T CB 1.712 70.567 68.868 -0.021 0.000 0.952 404 T HN 1.259 nan 8.240 nan 0.000 0.540 405 L N 4.195 125.408 121.223 -0.017 0.000 2.439 405 L HA 0.416 4.756 4.340 0.001 0.000 0.269 405 L C 0.658 177.531 176.870 0.005 0.000 1.179 405 L CA 0.297 55.136 54.840 -0.002 0.000 0.828 405 L CB 0.840 42.900 42.059 0.003 0.000 1.106 405 L HN 0.736 nan 8.230 nan 0.000 0.467 406 V N 1.402 121.325 119.914 0.015 0.000 3.097 406 V HA 0.293 4.413 4.120 0.001 0.000 0.223 406 V C 0.566 176.673 176.094 0.023 0.000 1.199 406 V CA 0.045 62.351 62.300 0.009 0.000 1.260 406 V CB -0.327 31.494 31.823 -0.003 0.000 1.155 406 V HN 0.612 nan 8.190 nan 0.000 0.509 407 K N 1.577 121.995 120.400 0.030 0.000 2.095 407 K HA 0.610 4.930 4.320 0.001 0.000 0.252 407 K C -0.518 176.107 176.600 0.041 0.000 0.977 407 K CA -0.459 55.839 56.287 0.019 0.000 0.900 407 K CB 2.004 34.500 32.500 -0.006 0.000 1.060 407 K HN 0.151 nan 8.250 nan 0.000 0.449 408 R N 2.160 122.653 120.500 -0.012 0.000 2.695 408 R HA 0.145 4.485 4.340 0.001 0.000 0.288 408 R C -1.101 175.127 176.300 -0.121 0.000 1.344 408 R CA -0.083 55.975 56.100 -0.070 0.000 1.005 408 R CB 0.980 31.310 30.300 0.050 0.000 1.233 408 R HN 0.704 nan 8.270 nan 0.000 0.442 409 Q N 0.000 119.676 119.800 -0.207 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 409 Q CA 0.000 55.717 55.803 -0.144 0.000 1.022 409 Q CB 0.000 28.672 28.738 -0.111 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481