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 1uzn_1_A DATA FIRST_RESID 9 DATA SEQUENCE AKPPFVSRSV LVTGGNRGIG LAIAQRLAAD GHKVAVTHRG SGAPKGLFGV DATA SEQUENCE EVDVTDSDAV DRAFTAVEEH QGPVEVLVSN AGLSADAFLM RMTEEKFEKV DATA SEQUENCE INANLTGAFR VAQRASRSMQ RNKFGRMIFI GSVSGLWGIG NQANYAASKA DATA SEQUENCE GVIGMARSIA RELSKANVTA NVVAPGYIDT DMTRALDERI QQGALQFIPA DATA SEQUENCE KRVGTPAEVA GVVSFLASED ASYISGAVIP VDGGMGMGH 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.605 177.584 0.035 0.000 1.274 9 A CA 0.000 52.052 52.037 0.024 0.000 0.836 9 A CB 0.000 19.011 19.000 0.019 0.000 0.831 10 K N 2.395 122.819 120.400 0.040 0.000 2.349 10 K HA 0.365 4.500 4.320 -0.308 0.000 0.289 10 K C -2.247 174.386 176.600 0.055 0.000 1.064 10 K CA -1.221 55.099 56.287 0.056 0.000 0.947 10 K CB 0.241 32.777 32.500 0.059 0.000 1.007 10 K HN 0.478 nan 8.250 nan 0.000 0.478 11 P HA 0.085 nan 4.420 nan 0.000 0.265 11 P C -2.484 174.853 177.300 0.062 0.000 1.193 11 P CA -0.824 62.306 63.100 0.050 0.000 0.765 11 P CB -0.191 31.538 31.700 0.048 0.000 0.823 12 P HA -0.010 nan 4.420 nan 0.000 0.264 12 P C -0.363 176.988 177.300 0.085 0.000 1.183 12 P CA 0.050 63.190 63.100 0.066 0.000 0.763 12 P CB 0.160 31.880 31.700 0.034 0.000 0.807 13 F N 4.113 124.055 119.950 -0.014 0.000 2.518 13 F HA 0.227 4.569 4.527 -0.309 0.000 0.359 13 F C -0.306 175.472 175.800 -0.036 0.000 1.118 13 F CA 0.219 58.205 58.000 -0.024 0.000 1.287 13 F CB 0.547 39.517 39.000 -0.049 0.000 1.132 13 F HN 0.009 nan 8.300 nan 0.000 0.587 14 V N 5.376 124.751 119.914 -0.899 0.000 2.487 14 V HA 0.219 4.154 4.120 -0.308 0.000 0.298 14 V C -0.312 175.195 176.094 -0.978 0.000 1.028 14 V CA -0.950 60.959 62.300 -0.653 0.000 0.860 14 V CB 1.541 33.094 31.823 -0.449 0.000 0.991 14 V HN 0.810 nan 8.190 nan 0.000 0.427 15 S N 5.922 121.440 115.700 -0.304 0.000 2.430 15 S HA 0.358 4.643 4.470 -0.308 0.000 0.282 15 S C 0.015 174.619 174.600 0.008 0.000 1.186 15 S CA -0.578 57.648 58.200 0.044 0.000 1.060 15 S CB -0.244 63.067 63.200 0.185 0.000 0.966 15 S HN 0.576 nan 8.310 nan 0.000 0.501 16 R N 2.732 123.337 120.500 0.175 0.000 2.598 16 R HA 0.322 4.477 4.340 -0.308 0.000 0.279 16 R C 0.004 176.317 176.300 0.021 0.000 0.984 16 R CA -0.533 55.560 56.100 -0.012 0.000 0.999 16 R CB 1.462 31.676 30.300 -0.142 0.000 1.114 16 R HN 0.616 nan 8.270 nan 0.000 0.493 17 S N 1.220 116.911 115.700 -0.015 0.000 2.455 17 S HA 0.247 4.532 4.470 -0.308 0.000 0.278 17 S C -0.297 174.288 174.600 -0.026 0.000 1.216 17 S CA -0.496 57.703 58.200 -0.000 0.000 1.055 17 S CB 0.162 63.360 63.200 -0.003 0.000 0.939 17 S HN 0.272 nan 8.310 nan 0.000 0.494 18 V N 6.472 126.372 119.914 -0.023 0.000 2.495 18 V HA 0.564 4.499 4.120 -0.308 0.000 0.298 18 V C -0.499 175.560 176.094 -0.060 0.000 1.031 18 V CA -0.882 61.381 62.300 -0.061 0.000 0.871 18 V CB 1.584 33.370 31.823 -0.062 0.000 0.988 18 V HN 0.816 nan 8.190 nan 0.000 0.432 19 L N 6.380 127.537 121.223 -0.110 0.000 2.333 19 L HA 0.700 4.855 4.340 -0.308 0.000 0.280 19 L C -0.624 176.183 176.870 -0.105 0.000 1.004 19 L CA -0.080 54.675 54.840 -0.143 0.000 0.820 19 L CB 1.858 43.728 42.059 -0.315 0.000 1.247 19 L HN 0.433 nan 8.230 nan 0.000 0.416 20 V N 3.778 123.651 119.914 -0.068 0.000 2.334 20 V HA 0.409 4.344 4.120 -0.308 0.000 0.281 20 V C 0.354 176.429 176.094 -0.032 0.000 1.016 20 V CA -0.477 61.796 62.300 -0.045 0.000 0.832 20 V CB 1.357 33.167 31.823 -0.022 0.000 0.999 20 V HN 0.876 nan 8.190 nan 0.000 0.439 21 T N 1.176 115.717 114.554 -0.022 0.000 2.907 21 T HA 0.480 4.645 4.350 -0.308 0.000 0.298 21 T C 1.123 175.832 174.700 0.015 0.000 1.017 21 T CA 0.445 62.547 62.100 0.003 0.000 1.118 21 T CB 1.208 70.092 68.868 0.027 0.000 0.948 21 T HN 1.871 nan 8.240 nan 0.000 0.531 22 G N 1.825 110.639 108.800 0.024 0.000 2.305 22 G HA2 -0.135 3.640 3.960 -0.308 0.000 0.287 22 G HA3 -0.135 3.640 3.960 -0.308 0.000 0.287 22 G C 0.731 175.644 174.900 0.022 0.000 1.036 22 G CA 0.031 45.149 45.100 0.029 0.000 0.887 22 G HN 1.496 nan 8.290 nan 0.000 0.505 23 G N -0.080 108.729 108.800 0.015 0.000 3.233 23 G HA2 0.210 3.985 3.960 -0.308 0.000 0.227 23 G HA3 0.210 3.985 3.960 -0.308 0.000 0.227 23 G C 1.212 176.110 174.900 -0.004 0.000 1.175 23 G CA 0.721 45.824 45.100 0.005 0.000 0.781 23 G HN 0.761 nan 8.290 nan 0.000 0.542 24 N N 0.638 119.338 118.700 0.000 0.000 2.325 24 N HA 0.033 4.588 4.740 -0.308 0.000 0.182 24 N C 0.757 176.260 175.510 -0.011 0.000 1.088 24 N CA -0.157 52.881 53.050 -0.021 0.000 0.879 24 N CB 0.487 38.961 38.487 -0.021 0.000 0.983 24 N HN 0.523 nan 8.380 nan 0.000 0.471 25 R N -1.970 118.532 120.500 0.003 0.000 2.733 25 R HA 0.500 4.655 4.340 -0.308 0.000 0.272 25 R C 0.282 176.590 176.300 0.012 0.000 1.029 25 R CA -0.208 55.895 56.100 0.006 0.000 0.888 25 R CB 0.428 30.733 30.300 0.008 0.000 1.251 25 R HN -0.077 nan 8.270 nan 0.000 0.464 26 G N 1.194 110.001 108.800 0.013 0.000 2.596 26 G HA2 -0.363 3.412 3.960 -0.308 0.000 0.295 26 G HA3 -0.363 3.412 3.960 -0.308 0.000 0.295 26 G C 0.785 175.697 174.900 0.019 0.000 1.240 26 G CA 0.533 45.643 45.100 0.017 0.000 0.985 26 G HN 0.633 nan 8.290 nan 0.000 0.555 27 I N 1.737 122.321 120.570 0.024 0.000 2.226 27 I HA -0.061 3.924 4.170 -0.308 0.000 0.245 27 I C 3.126 179.257 176.117 0.025 0.000 1.100 27 I CA 1.953 63.269 61.300 0.026 0.000 1.374 27 I CB -0.741 37.278 38.000 0.031 0.000 1.057 27 I HN 0.658 nan 8.210 nan 0.000 0.413 28 G N 1.023 109.837 108.800 0.023 0.000 2.440 28 G HA2 -0.278 3.497 3.960 -0.308 0.000 0.218 28 G HA3 -0.278 3.497 3.960 -0.308 0.000 0.218 28 G C 1.636 176.545 174.900 0.015 0.000 1.154 28 G CA 0.790 45.901 45.100 0.019 0.000 0.767 28 G HN 0.266 nan 8.290 nan 0.000 0.552 29 L N 1.387 122.618 121.223 0.012 0.000 2.056 29 L HA 0.221 4.376 4.340 -0.308 0.000 0.207 29 L C 3.047 179.925 176.870 0.014 0.000 1.078 29 L CA 2.057 56.902 54.840 0.008 0.000 0.749 29 L CB -0.916 41.145 42.059 0.003 0.000 0.901 29 L HN 0.234 nan 8.230 nan 0.000 0.433 30 A N -0.155 122.676 122.820 0.018 0.000 1.908 30 A HA -0.223 3.912 4.320 -0.308 0.000 0.218 30 A C 2.300 179.901 177.584 0.029 0.000 1.181 30 A CA 2.272 54.323 52.037 0.022 0.000 0.627 30 A CB -0.916 18.099 19.000 0.024 0.000 0.818 30 A HN 0.523 nan 8.150 nan 0.000 0.445 31 I N -0.420 120.167 120.570 0.029 0.000 2.179 31 I HA -0.283 3.702 4.170 -0.308 0.000 0.242 31 I C 2.979 179.120 176.117 0.040 0.000 1.088 31 I CA 1.138 62.459 61.300 0.035 0.000 1.357 31 I CB -0.316 37.699 38.000 0.026 0.000 1.051 31 I HN 0.362 nan 8.210 nan 0.000 0.409 32 A N -0.025 122.813 122.820 0.030 0.000 1.933 32 A HA -0.245 3.890 4.320 -0.308 0.000 0.218 32 A C 2.235 179.846 177.584 0.044 0.000 1.175 32 A CA 1.513 53.570 52.037 0.033 0.000 0.628 32 A CB -0.556 18.454 19.000 0.018 0.000 0.814 32 A HN 0.478 nan 8.150 nan 0.000 0.444 33 Q N -1.248 118.573 119.800 0.034 0.000 2.079 33 Q HA -0.169 3.986 4.340 -0.308 0.000 0.200 33 Q C 2.341 178.366 176.000 0.042 0.000 0.974 33 Q CA 1.485 57.308 55.803 0.032 0.000 0.840 33 Q CB -0.153 28.597 28.738 0.021 0.000 0.898 33 Q HN 0.548 nan 8.270 nan 0.000 0.430 34 R N 1.223 121.753 120.500 0.049 0.000 2.081 34 R HA -0.087 4.068 4.340 -0.308 0.000 0.235 34 R C 1.854 178.210 176.300 0.093 0.000 1.131 34 R CA 1.414 57.550 56.100 0.059 0.000 0.960 34 R CB -0.611 29.726 30.300 0.063 0.000 0.856 34 R HN 0.241 nan 8.270 nan 0.000 0.436 35 L N -0.172 121.128 121.223 0.128 0.000 2.131 35 L HA -0.048 4.107 4.340 -0.308 0.000 0.210 35 L C 2.390 179.394 176.870 0.222 0.000 1.092 35 L CA 1.237 56.221 54.840 0.239 0.000 0.759 35 L CB -0.563 41.614 42.059 0.197 0.000 0.903 35 L HN 0.338 nan 8.230 nan 0.000 0.435 36 A N -0.105 122.789 122.820 0.124 0.000 1.930 36 A HA -0.004 4.131 4.320 -0.308 0.000 0.215 36 A C 2.509 180.111 177.584 0.030 0.000 1.176 36 A CA 1.241 53.332 52.037 0.091 0.000 0.632 36 A CB -0.480 18.561 19.000 0.069 0.000 0.819 36 A HN 0.348 nan 8.150 nan 0.000 0.445 37 A N 0.035 122.863 122.820 0.013 0.000 2.015 37 A HA -0.134 4.001 4.320 -0.308 0.000 0.219 37 A C 1.603 179.131 177.584 -0.093 0.000 1.163 37 A CA 1.743 53.761 52.037 -0.031 0.000 0.646 37 A CB -0.477 18.513 19.000 -0.016 0.000 0.806 37 A HN 0.414 nan 8.150 nan 0.000 0.448 38 D N -1.220 119.130 120.400 -0.084 0.000 2.264 38 D HA 0.124 4.579 4.640 -0.308 0.000 0.208 38 D C 1.509 177.496 176.300 -0.522 0.000 0.966 38 D CA 1.594 55.465 54.000 -0.215 0.000 0.864 38 D CB -0.038 40.730 40.800 -0.054 0.000 0.933 38 D HN 0.633 nan 8.370 nan 0.000 0.499 39 G N -0.682 107.933 108.800 -0.309 0.000 2.205 39 G HA2 -0.176 3.599 3.960 -0.308 0.000 0.180 39 G HA3 -0.176 3.599 3.960 -0.308 0.000 0.180 39 G C 0.201 175.140 174.900 0.064 0.000 1.004 39 G CA -0.451 44.482 45.100 -0.279 0.000 0.670 39 G HN 0.297 nan 8.290 nan 0.000 0.496 40 H N 0.703 119.939 119.070 0.277 0.000 2.546 40 H HA 0.404 4.775 4.556 -0.308 0.000 0.365 40 H C 0.387 175.782 175.328 0.112 0.000 1.220 40 H CA 0.115 56.290 56.048 0.211 0.000 1.386 40 H CB 0.666 30.526 29.762 0.163 0.000 1.510 40 H HN 0.196 nan 8.280 nan 0.000 0.591 41 K N 1.554 122.087 120.400 0.222 0.000 2.267 41 K HA 0.333 4.468 4.320 -0.308 0.000 0.282 41 K C -0.780 175.900 176.600 0.134 0.000 1.078 41 K CA -0.363 56.006 56.287 0.138 0.000 0.903 41 K CB 0.861 33.410 32.500 0.082 0.000 1.111 41 K HN 0.145 nan 8.250 nan 0.000 0.475 42 V N 2.547 122.542 119.914 0.136 0.000 2.384 42 V HA 0.525 4.460 4.120 -0.308 0.000 0.287 42 V C -0.123 176.042 176.094 0.118 0.000 1.020 42 V CA -0.888 61.476 62.300 0.107 0.000 0.850 42 V CB 1.335 33.216 31.823 0.097 0.000 0.987 42 V HN 0.854 nan 8.190 nan 0.000 0.436 43 A N 4.613 127.489 122.820 0.094 0.000 2.337 43 A HA 0.966 5.101 4.320 -0.308 0.000 0.331 43 A C -0.472 177.115 177.584 0.005 0.000 1.137 43 A CA -0.591 51.506 52.037 0.099 0.000 0.807 43 A CB 1.923 21.025 19.000 0.170 0.000 1.250 43 A HN 1.458 nan 8.150 nan 0.000 0.468 44 V N -0.431 119.463 119.914 -0.034 0.000 2.823 44 V HA 0.888 4.823 4.120 -0.308 0.000 0.312 44 V C 0.024 176.109 176.094 -0.015 0.000 1.072 44 V CA 0.003 62.283 62.300 -0.034 0.000 0.937 44 V CB 1.229 33.032 31.823 -0.032 0.000 1.013 44 V HN 1.315 nan 8.190 nan 0.000 0.430 45 T N 1.199 115.756 114.554 0.006 0.000 2.918 45 T HA 0.832 4.997 4.350 -0.308 0.000 0.283 45 T C -0.344 174.434 174.700 0.130 0.000 1.001 45 T CA 0.212 62.336 62.100 0.041 0.000 1.041 45 T CB 1.012 69.871 68.868 -0.015 0.000 1.028 45 T HN 1.583 nan 8.240 nan 0.000 0.511 46 H N -0.903 118.126 119.070 -0.069 0.000 2.981 46 H HA 0.600 4.971 4.556 -0.309 0.000 0.327 46 H C -0.437 174.867 175.328 -0.041 0.000 1.342 46 H CA -1.364 54.653 56.048 -0.052 0.000 1.123 46 H CB 1.304 31.026 29.762 -0.066 0.000 1.851 46 H HN 0.502 nan 8.280 nan 0.000 0.531 47 R N 0.401 120.877 120.500 -0.040 0.000 2.696 47 R HA 0.348 4.503 4.340 -0.308 0.000 0.355 47 R C 0.162 176.433 176.300 -0.047 0.000 1.138 47 R CA 0.395 56.437 56.100 -0.097 0.000 1.059 47 R CB 0.971 31.249 30.300 -0.036 0.000 1.380 47 R HN 0.997 nan 8.270 nan 0.000 0.578 48 G N 0.080 108.897 108.800 0.028 0.000 3.033 48 G HA2 -0.319 3.456 3.960 -0.308 0.000 0.196 48 G HA3 -0.319 3.456 3.960 -0.308 0.000 0.196 48 G C 1.017 176.027 174.900 0.183 0.000 1.078 48 G CA 0.160 45.315 45.100 0.092 0.000 0.805 48 G HN 0.300 nan 8.290 nan 0.000 0.472 49 S N 0.902 116.693 115.700 0.152 0.000 2.420 49 S HA 0.368 4.653 4.470 -0.308 0.000 0.237 49 S C 1.841 176.438 174.600 -0.005 0.000 1.023 49 S CA 1.893 60.131 58.200 0.063 0.000 0.991 49 S CB -0.321 62.901 63.200 0.036 0.000 0.792 49 S HN 2.629 nan 8.310 nan 0.000 0.488 50 G N 0.040 108.800 108.800 -0.067 0.000 2.541 50 G HA2 0.416 4.191 3.960 -0.308 0.000 0.686 50 G HA3 0.416 4.191 3.960 -0.308 0.000 0.686 50 G C -0.484 174.019 174.900 -0.661 0.000 1.286 50 G CA -0.494 44.297 45.100 -0.515 0.000 0.894 50 G HN 1.291 nan 8.290 nan 0.000 0.575 51 A N 0.948 123.380 122.820 -0.646 0.000 2.312 51 A HA 0.960 5.095 4.320 -0.308 0.000 0.328 51 A C -1.350 176.109 177.584 -0.209 0.000 1.158 51 A CA -0.732 51.078 52.037 -0.379 0.000 0.821 51 A CB 0.868 19.651 19.000 -0.363 0.000 1.170 51 A HN 0.969 nan 8.150 nan 0.000 0.490 52 P HA 0.250 nan 4.420 nan 0.000 0.276 52 P C -0.824 176.444 177.300 -0.053 0.000 1.252 52 P CA -0.529 62.525 63.100 -0.077 0.000 0.802 52 P CB 0.486 32.156 31.700 -0.051 0.000 1.035 53 K N 0.240 120.620 120.400 -0.033 0.000 2.524 53 K HA 0.219 4.354 4.320 -0.308 0.000 0.279 53 K C 1.085 177.685 176.600 0.000 0.000 0.993 53 K CA 1.129 57.408 56.287 -0.013 0.000 1.030 53 K CB -0.601 31.895 32.500 -0.007 0.000 0.891 53 K HN 0.894 nan 8.250 nan 0.000 0.488 54 G N 2.135 110.947 108.800 0.019 0.000 2.137 54 G HA2 -0.245 3.530 3.960 -0.308 0.000 0.237 54 G HA3 -0.245 3.530 3.960 -0.308 0.000 0.237 54 G C -0.255 174.673 174.900 0.047 0.000 1.002 54 G CA -0.350 44.771 45.100 0.035 0.000 0.702 54 G HN 0.461 nan 8.290 nan 0.000 0.515 55 L N -0.841 120.406 121.223 0.040 0.000 2.493 55 L HA 0.540 4.695 4.340 -0.308 0.000 0.265 55 L C -0.421 176.473 176.870 0.040 0.000 0.954 55 L CA -1.207 53.660 54.840 0.045 0.000 0.844 55 L CB 1.834 43.892 42.059 -0.001 0.000 1.302 55 L HN 0.088 nan 8.230 nan 0.000 0.405 56 F N 2.216 122.107 119.950 -0.099 0.000 2.445 56 F HA 0.597 4.938 4.527 -0.309 0.000 0.359 56 F C 0.684 176.384 175.800 -0.166 0.000 1.101 56 F CA -0.387 57.479 58.000 -0.222 0.000 1.177 56 F CB 1.050 39.739 39.000 -0.519 0.000 1.110 56 F HN 0.359 nan 8.300 nan 0.000 0.522 57 G N 5.395 113.739 108.800 -0.761 0.000 2.371 57 G HA2 0.554 4.329 3.960 -0.308 0.000 0.326 57 G HA3 0.554 4.329 3.960 -0.308 0.000 0.326 57 G C -1.508 173.028 174.900 -0.606 0.000 1.127 57 G CA -0.560 44.216 45.100 -0.541 0.000 0.885 57 G HN 0.966 nan 8.290 nan 0.000 0.477 58 V N -0.300 119.483 119.914 -0.218 0.000 2.588 58 V HA 0.596 4.531 4.120 -0.308 0.000 0.304 58 V C -0.265 175.698 176.094 -0.218 0.000 1.042 58 V CA -1.241 60.944 62.300 -0.191 0.000 0.877 58 V CB 1.832 33.555 31.823 -0.167 0.000 0.996 58 V HN 0.763 nan 8.190 nan 0.000 0.425 59 E N 2.621 122.603 120.200 -0.363 0.000 2.180 59 E HA 0.562 4.727 4.350 -0.308 0.000 0.283 59 E C -1.272 175.164 176.600 -0.273 0.000 1.061 59 E CA -0.180 55.864 56.400 -0.594 0.000 0.861 59 E CB 1.716 31.135 29.700 -0.468 0.000 1.056 59 E HN 0.890 nan 8.360 nan 0.000 0.407 60 V N 4.489 124.267 119.914 -0.228 0.000 2.969 60 V HA 0.233 4.168 4.120 -0.308 0.000 0.304 60 V C -1.689 174.364 176.094 -0.067 0.000 1.192 60 V CA -0.912 61.329 62.300 -0.099 0.000 0.962 60 V CB 2.201 34.005 31.823 -0.032 0.000 1.045 60 V HN 0.713 nan 8.190 nan 0.000 0.428 61 D N 3.983 124.361 120.400 -0.036 0.000 2.274 61 D HA 0.285 4.740 4.640 -0.308 0.000 0.239 61 D C 0.959 177.265 176.300 0.010 0.000 1.104 61 D CA 0.154 54.146 54.000 -0.014 0.000 0.840 61 D CB 2.100 42.893 40.800 -0.012 0.000 1.100 61 D HN 0.722 nan 8.370 nan 0.000 0.477 62 V N 2.014 121.942 119.914 0.023 0.000 3.510 62 V HA -0.040 3.895 4.120 -0.308 0.000 0.270 62 V C 1.628 177.749 176.094 0.044 0.000 1.201 62 V CA 1.476 63.802 62.300 0.043 0.000 1.166 62 V CB -1.261 30.596 31.823 0.056 0.000 0.825 62 V HN 0.651 nan 8.190 nan 0.000 0.484 63 T N -3.492 111.082 114.554 0.032 0.000 3.113 63 T HA 0.051 4.216 4.350 -0.308 0.000 0.256 63 T C 0.582 175.302 174.700 0.032 0.000 1.131 63 T CA 0.584 62.704 62.100 0.033 0.000 1.074 63 T CB -0.253 68.629 68.868 0.023 0.000 0.944 63 T HN 0.506 nan 8.240 nan 0.000 0.516 64 D N 0.742 121.159 120.400 0.028 0.000 2.460 64 D HA 0.420 4.875 4.640 -0.308 0.000 0.232 64 D C 0.750 177.067 176.300 0.027 0.000 1.079 64 D CA -0.352 53.663 54.000 0.023 0.000 0.864 64 D CB 1.580 42.388 40.800 0.013 0.000 1.048 64 D HN 0.005 nan 8.370 nan 0.000 0.523 65 S N 2.426 118.144 115.700 0.031 0.000 2.382 65 S HA -0.131 4.154 4.470 -0.308 0.000 0.228 65 S C 1.156 175.762 174.600 0.010 0.000 1.027 65 S CA 0.784 58.998 58.200 0.024 0.000 0.991 65 S CB 0.138 63.360 63.200 0.037 0.000 0.823 65 S HN 0.552 nan 8.310 nan 0.000 0.469 66 D N 1.627 122.035 120.400 0.014 0.000 2.144 66 D HA 0.029 4.484 4.640 -0.308 0.000 0.200 66 D C 2.093 178.405 176.300 0.020 0.000 0.978 66 D CA 1.129 55.137 54.000 0.013 0.000 0.833 66 D CB -0.407 40.400 40.800 0.012 0.000 0.961 66 D HN 0.397 nan 8.370 nan 0.000 0.470 67 A N 0.619 123.451 122.820 0.020 0.000 1.969 67 A HA -0.085 4.050 4.320 -0.308 0.000 0.218 67 A C 2.489 180.103 177.584 0.049 0.000 1.169 67 A CA 0.803 52.854 52.037 0.022 0.000 0.635 67 A CB -0.547 18.456 19.000 0.006 0.000 0.810 67 A HN 0.125 nan 8.150 nan 0.000 0.445 68 V N 0.537 120.485 119.914 0.057 0.000 2.307 68 V HA -0.238 3.697 4.120 -0.308 0.000 0.245 68 V C 2.419 178.598 176.094 0.142 0.000 1.045 68 V CA 2.378 64.744 62.300 0.111 0.000 1.024 68 V CB -0.698 31.155 31.823 0.050 0.000 0.651 68 V HN 0.667 nan 8.190 nan 0.000 0.449 69 D N 0.280 120.706 120.400 0.043 0.000 2.116 69 D HA -0.210 4.245 4.640 -0.308 0.000 0.193 69 D C 2.372 178.735 176.300 0.105 0.000 0.998 69 D CA 1.657 55.675 54.000 0.031 0.000 0.836 69 D CB -0.163 40.635 40.800 -0.003 0.000 0.951 69 D HN 0.318 nan 8.370 nan 0.000 0.449 70 R N -0.192 120.360 120.500 0.087 0.000 2.115 70 R HA 0.052 4.207 4.340 -0.308 0.000 0.230 70 R C 2.319 178.686 176.300 0.112 0.000 1.111 70 R CA 0.971 57.121 56.100 0.084 0.000 0.976 70 R CB -0.210 30.120 30.300 0.051 0.000 0.870 70 R HN 0.176 nan 8.270 nan 0.000 0.445 71 A N 0.632 123.532 122.820 0.132 0.000 1.873 71 A HA -0.128 4.007 4.320 -0.308 0.000 0.215 71 A C 1.808 179.468 177.584 0.127 0.000 1.186 71 A CA 1.046 53.146 52.037 0.105 0.000 0.616 71 A CB -0.529 18.520 19.000 0.082 0.000 0.823 71 A HN 0.177 nan 8.150 nan 0.000 0.442 72 F N 0.875 120.843 119.950 0.030 0.000 2.216 72 F HA -0.121 4.220 4.527 -0.310 0.000 0.300 72 F C 2.697 178.526 175.800 0.048 0.000 1.085 72 F CA 1.868 59.889 58.000 0.035 0.000 1.326 72 F CB -0.684 38.321 39.000 0.009 0.000 1.027 72 F HN 0.157 nan 8.300 nan 0.000 0.497 73 T N -0.579 114.106 114.554 0.219 0.000 2.777 73 T HA -0.117 4.048 4.350 -0.308 0.000 0.266 73 T C 2.291 177.065 174.700 0.123 0.000 1.040 73 T CA 1.176 63.361 62.100 0.141 0.000 1.141 73 T CB -0.562 68.370 68.868 0.106 0.000 0.868 73 T HN 0.268 nan 8.240 nan 0.000 0.444 74 A N 0.917 123.822 122.820 0.141 0.000 1.930 74 A HA -0.000 4.135 4.320 -0.308 0.000 0.217 74 A C 2.543 180.266 177.584 0.231 0.000 1.175 74 A CA 1.054 53.205 52.037 0.189 0.000 0.627 74 A CB -0.872 18.255 19.000 0.212 0.000 0.815 74 A HN 0.351 nan 8.150 nan 0.000 0.443 75 V N -0.077 119.951 119.914 0.190 0.000 2.307 75 V HA -0.244 3.691 4.120 -0.308 0.000 0.245 75 V C 2.502 178.632 176.094 0.060 0.000 1.045 75 V CA 2.177 64.559 62.300 0.137 0.000 1.024 75 V CB -0.649 31.171 31.823 -0.005 0.000 0.651 75 V HN 0.745 nan 8.190 nan 0.000 0.449 76 E N 0.075 120.313 120.200 0.063 0.000 2.085 76 E HA -0.277 3.888 4.350 -0.308 0.000 0.194 76 E C 2.172 178.783 176.600 0.019 0.000 0.994 76 E CA 1.683 58.111 56.400 0.047 0.000 0.801 76 E CB -0.029 29.714 29.700 0.072 0.000 0.743 76 E HN 0.703 nan 8.360 nan 0.000 0.453 77 E N -1.100 119.118 120.200 0.029 0.000 2.150 77 E HA -0.196 3.969 4.350 -0.308 0.000 0.193 77 E C 1.954 178.525 176.600 -0.048 0.000 0.985 77 E CA 1.084 57.486 56.400 0.004 0.000 0.814 77 E CB -0.100 29.619 29.700 0.032 0.000 0.752 77 E HN 0.367 nan 8.360 nan 0.000 0.466 78 H N 0.780 119.721 119.070 -0.215 0.000 2.343 78 H HA -0.023 4.348 4.556 -0.309 0.000 0.303 78 H C 1.602 176.761 175.328 -0.281 0.000 1.068 78 H CA 1.929 57.738 56.048 -0.398 0.000 1.359 78 H CB 0.383 29.557 29.762 -0.980 0.000 1.402 78 H HN 0.077 nan 8.280 nan 0.000 0.515 79 Q N -1.057 118.641 119.800 -0.169 0.000 2.073 79 Q HA 0.302 4.457 4.340 -0.308 0.000 0.215 79 Q C 0.094 176.053 176.000 -0.068 0.000 0.776 79 Q CA -0.105 55.609 55.803 -0.147 0.000 1.008 79 Q CB 1.404 30.135 28.738 -0.012 0.000 1.196 79 Q HN 0.437 nan 8.270 nan 0.000 0.458 80 G N 2.160 110.931 108.800 -0.048 0.000 2.663 80 G HA2 -0.113 3.662 3.960 -0.308 0.000 0.686 80 G HA3 -0.113 3.662 3.960 -0.308 0.000 0.686 80 G C -2.998 171.905 174.900 0.005 0.000 1.246 80 G CA -0.616 44.471 45.100 -0.022 0.000 0.795 80 G HN 0.077 nan 8.290 nan 0.000 0.627 81 P HA 0.306 nan 4.420 nan 0.000 0.267 81 P C 0.623 177.957 177.300 0.058 0.000 1.200 81 P CA -0.144 62.992 63.100 0.060 0.000 0.772 81 P CB 0.662 32.403 31.700 0.068 0.000 0.855 82 V N 3.577 123.541 119.914 0.082 0.000 2.458 82 V HA -0.056 3.879 4.120 -0.308 0.000 0.287 82 V C 1.673 177.823 176.094 0.092 0.000 1.009 82 V CA 0.955 63.284 62.300 0.049 0.000 1.091 82 V CB -0.593 31.235 31.823 0.009 0.000 0.960 82 V HN 0.593 nan 8.190 nan 0.000 0.476 83 E N 3.195 123.442 120.200 0.078 0.000 2.201 83 E HA 0.114 4.279 4.350 -0.308 0.000 0.193 83 E C -0.138 176.544 176.600 0.137 0.000 0.957 83 E CA 0.374 56.877 56.400 0.173 0.000 0.858 83 E CB 0.787 30.593 29.700 0.177 0.000 0.816 83 E HN 0.533 nan 8.360 nan 0.000 0.475 84 V N 2.528 122.459 119.914 0.029 0.000 2.407 84 V HA 0.252 4.187 4.120 -0.308 0.000 0.291 84 V C -0.970 175.070 176.094 -0.090 0.000 1.018 84 V CA -0.723 61.545 62.300 -0.053 0.000 0.842 84 V CB 1.587 33.334 31.823 -0.125 0.000 0.996 84 V HN 0.085 nan 8.190 nan 0.000 0.426 85 L N 7.191 128.345 121.223 -0.115 0.000 2.287 85 L HA 0.695 4.850 4.340 -0.308 0.000 0.287 85 L C -0.505 176.244 176.870 -0.203 0.000 1.022 85 L CA 0.037 54.801 54.840 -0.126 0.000 0.814 85 L CB 1.730 43.747 42.059 -0.071 0.000 1.217 85 L HN 0.420 nan 8.230 nan 0.000 0.420 86 V N 4.179 123.999 119.914 -0.156 0.000 2.311 86 V HA 0.362 4.297 4.120 -0.308 0.000 0.275 86 V C 0.377 176.402 176.094 -0.114 0.000 1.022 86 V CA -0.394 61.815 62.300 -0.152 0.000 0.830 86 V CB 0.975 32.745 31.823 -0.088 0.000 1.012 86 V HN 0.844 nan 8.190 nan 0.000 0.452 87 S N 4.384 119.993 115.700 -0.152 0.000 2.473 87 S HA 0.217 4.502 4.470 -0.308 0.000 0.312 87 S C 0.971 175.596 174.600 0.042 0.000 1.087 87 S CA -0.393 57.793 58.200 -0.023 0.000 1.077 87 S CB -0.197 63.032 63.200 0.048 0.000 1.065 87 S HN 0.847 nan 8.310 nan 0.000 0.510 88 N N 3.841 122.563 118.700 0.036 0.000 2.332 88 N HA 0.102 4.657 4.740 -0.308 0.000 0.190 88 N C 0.526 176.068 175.510 0.054 0.000 1.117 88 N CA -0.004 53.073 53.050 0.044 0.000 0.883 88 N CB 0.181 38.684 38.487 0.027 0.000 1.089 88 N HN 0.628 nan 8.380 nan 0.000 0.480 89 A N 1.131 123.982 122.820 0.052 0.000 2.540 89 A HA 0.434 4.569 4.320 -0.308 0.000 0.264 89 A C 0.485 178.103 177.584 0.056 0.000 1.080 89 A CA 0.621 52.688 52.037 0.050 0.000 0.776 89 A CB -0.633 18.395 19.000 0.047 0.000 1.011 89 A HN 0.387 nan 8.150 nan 0.000 0.514 90 G N 1.249 110.088 108.800 0.064 0.000 2.660 90 G HA2 0.770 4.545 3.960 -0.308 0.000 0.294 90 G HA3 0.770 4.545 3.960 -0.308 0.000 0.294 90 G C -1.126 173.833 174.900 0.098 0.000 1.369 90 G CA -0.260 44.894 45.100 0.089 0.000 0.912 90 G HN 1.658 nan 8.290 nan 0.000 0.479 91 L N -1.450 119.853 121.223 0.132 0.000 2.671 91 L HA 0.933 5.088 4.340 -0.308 0.000 0.259 91 L C -0.251 176.713 176.870 0.157 0.000 1.021 91 L CA -1.151 53.752 54.840 0.104 0.000 0.871 91 L CB 1.537 43.629 42.059 0.055 0.000 1.472 91 L HN 0.835 nan 8.230 nan 0.000 0.410 92 S N -0.620 115.112 115.700 0.053 0.000 2.570 92 S HA 0.974 5.259 4.470 -0.308 0.000 0.286 92 S C -0.522 174.076 174.600 -0.004 0.000 1.099 92 S CA -0.169 58.042 58.200 0.019 0.000 0.913 92 S CB 1.944 64.999 63.200 -0.241 0.000 1.085 92 S HN 1.676 nan 8.310 nan 0.000 0.480 93 A N 1.619 124.443 122.820 0.007 0.000 3.082 93 A HA 0.574 4.709 4.320 -0.308 0.000 0.328 93 A C -0.994 176.594 177.584 0.006 0.000 1.089 93 A CA -0.669 51.372 52.037 0.007 0.000 0.802 93 A CB -0.140 18.873 19.000 0.022 0.000 1.138 93 A HN 0.709 nan 8.150 nan 0.000 0.474 94 D N 1.577 121.962 120.400 -0.024 0.000 2.414 94 D HA 0.607 5.062 4.640 -0.308 0.000 0.242 94 D C 0.369 176.656 176.300 -0.022 0.000 1.129 94 D CA 1.306 55.282 54.000 -0.040 0.000 0.885 94 D CB 1.439 42.190 40.800 -0.081 0.000 1.198 94 D HN 0.858 nan 8.370 nan 0.000 0.437 95 A N 1.388 124.189 122.820 -0.030 0.000 2.597 95 A HA 0.439 4.574 4.320 -0.308 0.000 0.292 95 A C -1.087 176.478 177.584 -0.031 0.000 1.057 95 A CA -0.862 51.172 52.037 -0.004 0.000 0.674 95 A CB 0.263 19.309 19.000 0.076 0.000 1.278 95 A HN 0.333 nan 8.150 nan 0.000 0.416 96 F N 1.054 121.019 119.950 0.025 0.000 2.629 96 F HA 0.117 4.460 4.527 -0.307 0.000 0.369 96 F C 1.804 177.620 175.800 0.025 0.000 1.125 96 F CA 0.802 58.814 58.000 0.020 0.000 1.330 96 F CB 0.518 39.526 39.000 0.013 0.000 1.071 96 F HN 0.672 nan 8.300 nan 0.000 0.595 97 L N 3.970 125.314 121.223 0.203 0.000 1.990 97 L HA -0.277 3.878 4.340 -0.308 0.000 0.213 97 L C 2.308 179.241 176.870 0.106 0.000 1.072 97 L CA 1.952 56.866 54.840 0.123 0.000 0.755 97 L CB -0.727 41.384 42.059 0.087 0.000 0.889 97 L HN 0.808 nan 8.230 nan 0.000 0.432 98 M N -0.754 118.912 119.600 0.111 0.000 2.108 98 M HA -0.306 3.989 4.480 -0.308 0.000 0.257 98 M C 2.434 178.773 176.300 0.065 0.000 1.071 98 M CA 2.730 58.066 55.300 0.060 0.000 1.093 98 M CB -0.158 32.456 32.600 0.024 0.000 1.345 98 M HN 0.392 nan 8.290 nan 0.000 0.403 99 R N 0.122 120.692 120.500 0.117 0.000 2.200 99 R HA 0.171 4.326 4.340 -0.308 0.000 0.208 99 R C 1.164 177.520 176.300 0.095 0.000 1.033 99 R CA 0.944 57.108 56.100 0.108 0.000 1.000 99 R CB -1.027 29.374 30.300 0.168 0.000 0.906 99 R HN 0.612 nan 8.270 nan 0.000 0.462 100 M N 2.859 122.521 119.600 0.103 0.000 2.219 100 M HA 0.156 4.451 4.480 -0.308 0.000 0.353 100 M C 0.024 176.373 176.300 0.081 0.000 1.304 100 M CA 0.225 55.586 55.300 0.102 0.000 1.115 100 M CB 1.281 33.958 32.600 0.129 0.000 1.664 100 M HN 0.471 nan 8.290 nan 0.000 0.459 101 T N 0.288 114.894 114.554 0.087 0.000 2.918 101 T HA 0.216 4.381 4.350 -0.308 0.000 0.283 101 T C 0.796 175.554 174.700 0.097 0.000 1.001 101 T CA -0.758 61.384 62.100 0.070 0.000 1.041 101 T CB 1.408 70.312 68.868 0.061 0.000 1.028 101 T HN 0.859 nan 8.240 nan 0.000 0.511 102 E N 0.416 120.654 120.200 0.064 0.000 2.130 102 E HA -0.281 3.884 4.350 -0.308 0.000 0.196 102 E C 1.806 178.482 176.600 0.126 0.000 0.998 102 E CA 1.713 58.161 56.400 0.080 0.000 0.806 102 E CB -0.028 29.692 29.700 0.034 0.000 0.738 102 E HN 0.888 nan 8.360 nan 0.000 0.459 103 E N 0.405 120.658 120.200 0.088 0.000 2.031 103 E HA -0.223 3.942 4.350 -0.308 0.000 0.193 103 E C 2.055 178.707 176.600 0.086 0.000 0.994 103 E CA 1.341 57.786 56.400 0.076 0.000 0.800 103 E CB 0.087 29.818 29.700 0.052 0.000 0.752 103 E HN 0.111 nan 8.360 nan 0.000 0.447 104 K N -0.392 120.064 120.400 0.094 0.000 2.103 104 K HA -0.166 3.969 4.320 -0.308 0.000 0.207 104 K C 1.942 178.602 176.600 0.101 0.000 1.048 104 K CA 1.472 57.811 56.287 0.087 0.000 0.930 104 K CB -0.261 32.292 32.500 0.088 0.000 0.716 104 K HN 0.148 nan 8.250 nan 0.000 0.444 105 F N 2.045 122.007 119.950 0.021 0.000 2.060 105 F HA -0.155 4.185 4.527 -0.312 0.000 0.295 105 F C 2.050 177.857 175.800 0.013 0.000 1.120 105 F CA 1.500 59.510 58.000 0.018 0.000 1.205 105 F CB 0.035 39.041 39.000 0.011 0.000 0.986 105 F HN -0.002 nan 8.300 nan 0.000 0.470 106 E N 0.101 120.437 120.200 0.227 0.000 2.110 106 E HA -0.284 3.881 4.350 -0.308 0.000 0.193 106 E C 2.113 178.718 176.600 0.007 0.000 0.988 106 E CA 1.361 57.833 56.400 0.120 0.000 0.804 106 E CB -0.228 29.553 29.700 0.136 0.000 0.745 106 E HN 0.375 nan 8.360 nan 0.000 0.458 107 K N 0.869 121.275 120.400 0.011 0.000 2.026 107 K HA -0.149 3.986 4.320 -0.308 0.000 0.208 107 K C 2.017 178.596 176.600 -0.035 0.000 1.048 107 K CA 1.204 57.489 56.287 -0.003 0.000 0.929 107 K CB 0.044 32.553 32.500 0.014 0.000 0.713 107 K HN -0.069 nan 8.250 nan 0.000 0.439 108 V N 1.363 121.231 119.914 -0.077 0.000 2.379 108 V HA -0.210 3.725 4.120 -0.308 0.000 0.245 108 V C 2.298 178.298 176.094 -0.156 0.000 1.044 108 V CA 1.159 63.402 62.300 -0.095 0.000 1.036 108 V CB -0.359 31.409 31.823 -0.091 0.000 0.664 108 V HN 0.337 nan 8.190 nan 0.000 0.453 109 I N 0.978 121.395 120.570 -0.255 0.000 2.208 109 I HA -0.232 3.753 4.170 -0.308 0.000 0.245 109 I C 2.397 178.453 176.117 -0.102 0.000 1.097 109 I CA 1.839 63.005 61.300 -0.225 0.000 1.363 109 I CB -1.432 36.419 38.000 -0.248 0.000 1.051 109 I HN 0.411 nan 8.210 nan 0.000 0.413 110 N N 1.108 119.772 118.700 -0.060 0.000 2.142 110 N HA -0.087 4.468 4.740 -0.308 0.000 0.186 110 N C 1.793 177.301 175.510 -0.003 0.000 1.023 110 N CA 1.765 54.805 53.050 -0.018 0.000 0.852 110 N CB -0.006 38.480 38.487 -0.001 0.000 0.998 110 N HN 0.319 nan 8.380 nan 0.000 0.424 111 A N 0.085 122.900 122.820 -0.009 0.000 1.872 111 A HA -0.003 4.132 4.320 -0.308 0.000 0.214 111 A C 2.004 179.592 177.584 0.007 0.000 1.187 111 A CA 1.296 53.337 52.037 0.008 0.000 0.614 111 A CB -0.433 18.574 19.000 0.011 0.000 0.826 111 A HN 0.321 nan 8.150 nan 0.000 0.442 112 N N -1.023 117.661 118.700 -0.027 0.000 2.336 112 N HA 0.032 4.587 4.740 -0.308 0.000 0.177 112 N C 1.381 176.862 175.510 -0.047 0.000 1.018 112 N CA 1.104 54.127 53.050 -0.044 0.000 0.878 112 N CB -0.079 38.339 38.487 -0.115 0.000 0.997 112 N HN 0.405 nan 8.380 nan 0.000 0.433 113 L N -0.150 121.036 121.223 -0.060 0.000 2.356 113 L HA 0.229 4.384 4.340 -0.308 0.000 0.193 113 L C 1.724 178.599 176.870 0.009 0.000 1.087 113 L CA 1.457 56.261 54.840 -0.060 0.000 0.817 113 L CB -0.977 41.020 42.059 -0.103 0.000 1.035 113 L HN -0.054 nan 8.230 nan 0.000 0.482 114 T N -0.154 114.409 114.554 0.014 0.000 2.833 114 T HA -0.058 4.107 4.350 -0.308 0.000 0.269 114 T C 1.651 176.447 174.700 0.159 0.000 1.054 114 T CA 1.149 63.297 62.100 0.080 0.000 1.135 114 T CB -0.797 68.087 68.868 0.027 0.000 0.869 114 T HN 0.550 nan 8.240 nan 0.000 0.466 115 G N 1.164 110.022 108.800 0.096 0.000 2.418 115 G HA2 -0.027 3.748 3.960 -0.308 0.000 0.217 115 G HA3 -0.027 3.748 3.960 -0.308 0.000 0.217 115 G C 1.827 176.800 174.900 0.121 0.000 1.158 115 G CA 0.807 45.965 45.100 0.097 0.000 0.771 115 G HN 0.570 nan 8.290 nan 0.000 0.545 116 A N 0.611 123.510 122.820 0.132 0.000 1.902 116 A HA 0.030 4.165 4.320 -0.308 0.000 0.217 116 A C 2.158 179.864 177.584 0.203 0.000 1.181 116 A CA 1.641 53.799 52.037 0.201 0.000 0.623 116 A CB -0.607 18.487 19.000 0.157 0.000 0.818 116 A HN 0.463 nan 8.150 nan 0.000 0.443 117 F N 0.812 120.776 119.950 0.024 0.000 2.095 117 F HA -0.222 4.118 4.527 -0.311 0.000 0.298 117 F C 2.363 178.173 175.800 0.015 0.000 1.104 117 F CA 2.113 60.116 58.000 0.005 0.000 1.232 117 F CB -0.305 38.676 39.000 -0.031 0.000 0.987 117 F HN 0.122 nan 8.300 nan 0.000 0.475 118 R N 0.187 120.651 120.500 -0.059 0.000 2.083 118 R HA -0.164 3.991 4.340 -0.308 0.000 0.237 118 R C 2.310 178.453 176.300 -0.261 0.000 1.137 118 R CA 2.266 58.255 56.100 -0.186 0.000 0.951 118 R CB -0.980 29.335 30.300 0.026 0.000 0.851 118 R HN 0.479 nan 8.270 nan 0.000 0.434 119 V N -1.985 117.874 119.914 -0.091 0.000 2.453 119 V HA -0.024 3.911 4.120 -0.308 0.000 0.247 119 V C 2.269 178.289 176.094 -0.123 0.000 1.048 119 V CA 1.578 63.856 62.300 -0.037 0.000 1.049 119 V CB -0.903 31.033 31.823 0.189 0.000 0.672 119 V HN 0.260 nan 8.190 nan 0.000 0.457 120 A N -0.139 122.640 122.820 -0.068 0.000 1.877 120 A HA -0.252 3.883 4.320 -0.308 0.000 0.216 120 A C 2.358 179.801 177.584 -0.235 0.000 1.186 120 A CA 2.146 54.152 52.037 -0.052 0.000 0.620 120 A CB -0.807 18.278 19.000 0.142 0.000 0.822 120 A HN 0.573 nan 8.150 nan 0.000 0.443 121 Q N -0.394 119.125 119.800 -0.468 0.000 2.084 121 Q HA -0.214 3.941 4.340 -0.308 0.000 0.202 121 Q C 2.234 177.996 176.000 -0.397 0.000 0.978 121 Q CA 1.970 57.474 55.803 -0.498 0.000 0.844 121 Q CB -0.250 27.946 28.738 -0.903 0.000 0.898 121 Q HN 0.515 nan 8.270 nan 0.000 0.426 122 R N 0.338 120.535 120.500 -0.504 0.000 2.152 122 R HA -0.010 4.145 4.340 -0.308 0.000 0.232 122 R C 1.854 177.767 176.300 -0.645 0.000 1.117 122 R CA 1.536 57.262 56.100 -0.624 0.000 0.981 122 R CB -0.683 29.050 30.300 -0.944 0.000 0.870 122 R HN 0.262 nan 8.270 nan 0.000 0.451 123 A N -0.491 122.017 122.820 -0.520 0.000 2.016 123 A HA -0.040 4.095 4.320 -0.308 0.000 0.217 123 A C 2.071 179.607 177.584 -0.081 0.000 1.162 123 A CA 1.183 53.121 52.037 -0.164 0.000 0.662 123 A CB -0.577 18.460 19.000 0.061 0.000 0.812 123 A HN 0.531 nan 8.150 nan 0.000 0.450 124 S N 0.359 115.987 115.700 -0.121 0.000 2.368 124 S HA -0.206 4.079 4.470 -0.308 0.000 0.225 124 S C 2.004 176.576 174.600 -0.048 0.000 1.030 124 S CA 1.155 59.311 58.200 -0.072 0.000 0.999 124 S CB -0.481 62.671 63.200 -0.080 0.000 0.844 124 S HN 0.585 nan 8.310 nan 0.000 0.459 125 R N 1.068 121.533 120.500 -0.058 0.000 2.097 125 R HA -0.086 4.069 4.340 -0.308 0.000 0.236 125 R C 2.893 179.187 176.300 -0.009 0.000 1.135 125 R CA 1.746 57.827 56.100 -0.033 0.000 0.934 125 R CB -0.922 29.356 30.300 -0.037 0.000 0.846 125 R HN 0.537 nan 8.270 nan 0.000 0.431 126 S N 0.092 115.793 115.700 0.002 0.000 2.382 126 S HA -0.130 4.155 4.470 -0.308 0.000 0.228 126 S C 1.955 176.579 174.600 0.040 0.000 1.027 126 S CA 1.255 59.472 58.200 0.029 0.000 0.991 126 S CB -0.024 63.209 63.200 0.055 0.000 0.823 126 S HN 0.200 nan 8.310 nan 0.000 0.469 127 M N 0.528 120.148 119.600 0.033 0.000 2.132 127 M HA -0.103 4.192 4.480 -0.308 0.000 0.263 127 M C 2.510 178.821 176.300 0.019 0.000 1.065 127 M CA 1.432 56.753 55.300 0.034 0.000 1.122 127 M CB -0.395 32.203 32.600 -0.004 0.000 1.365 127 M HN 0.375 nan 8.290 nan 0.000 0.411 128 Q N -0.270 119.532 119.800 0.002 0.000 2.079 128 Q HA -0.180 3.975 4.340 -0.308 0.000 0.200 128 Q C 2.151 178.159 176.000 0.013 0.000 0.974 128 Q CA 1.356 57.159 55.803 -0.000 0.000 0.840 128 Q CB -0.172 28.561 28.738 -0.007 0.000 0.898 128 Q HN 0.431 nan 8.270 nan 0.000 0.430 129 R N 0.595 121.104 120.500 0.016 0.000 2.075 129 R HA -0.081 4.074 4.340 -0.308 0.000 0.232 129 R C 1.351 177.667 176.300 0.028 0.000 1.126 129 R CA 1.317 57.427 56.100 0.018 0.000 0.963 129 R CB 0.099 30.408 30.300 0.015 0.000 0.858 129 R HN 0.219 nan 8.270 nan 0.000 0.435 130 N N 0.720 119.446 118.700 0.043 0.000 2.398 130 N HA -0.036 4.519 4.740 -0.308 0.000 0.188 130 N C -0.310 175.250 175.510 0.083 0.000 1.122 130 N CA 0.359 53.443 53.050 0.057 0.000 0.866 130 N CB 0.506 39.034 38.487 0.068 0.000 0.970 130 N HN 0.040 nan 8.380 nan 0.000 0.462 131 K N -0.143 120.300 120.400 0.072 0.000 3.096 131 K HA -0.188 3.947 4.320 -0.308 0.000 0.266 131 K C -1.202 175.488 176.600 0.150 0.000 1.043 131 K CA 0.407 56.738 56.287 0.074 0.000 0.758 131 K CB -1.714 30.822 32.500 0.060 0.000 1.260 131 K HN 0.304 nan 8.250 nan 0.000 0.481 132 F N -1.036 118.903 119.950 -0.018 0.000 2.623 132 F HA 0.573 4.917 4.527 -0.306 0.000 0.323 132 F C -0.185 175.597 175.800 -0.031 0.000 1.158 132 F CA 0.129 58.112 58.000 -0.027 0.000 1.030 132 F CB 1.789 40.768 39.000 -0.036 0.000 1.280 132 F HN -0.003 nan 8.300 nan 0.000 0.474 133 G N 5.178 113.527 108.800 -0.751 0.000 2.766 133 G HA2 0.582 4.357 3.960 -0.308 0.000 0.297 133 G HA3 0.582 4.357 3.960 -0.308 0.000 0.297 133 G C -2.205 172.337 174.900 -0.596 0.000 1.431 133 G CA -1.009 43.807 45.100 -0.473 0.000 1.042 133 G HN 0.466 nan 8.290 nan 0.000 0.542 134 R N 2.368 122.631 120.500 -0.395 0.000 2.422 134 R HA 0.366 4.521 4.340 -0.308 0.000 0.307 134 R C -0.501 175.665 176.300 -0.223 0.000 1.004 134 R CA -0.607 55.313 56.100 -0.301 0.000 0.882 134 R CB 1.638 31.788 30.300 -0.251 0.000 1.164 134 R HN 0.573 nan 8.270 nan 0.000 0.489 135 M N 4.484 123.947 119.600 -0.228 0.000 2.129 135 M HA 0.507 4.802 4.480 -0.308 0.000 0.348 135 M C -0.147 175.893 176.300 -0.434 0.000 1.116 135 M CA -0.302 54.778 55.300 -0.367 0.000 1.022 135 M CB 1.305 33.723 32.600 -0.304 0.000 1.599 135 M HN 0.332 nan 8.290 nan 0.000 0.449 136 I N 3.750 124.002 120.570 -0.531 0.000 2.411 136 I HA 0.398 4.383 4.170 -0.308 0.000 0.284 136 I C -1.183 174.678 176.117 -0.427 0.000 1.012 136 I CA -0.381 60.719 61.300 -0.333 0.000 1.119 136 I CB 1.077 38.971 38.000 -0.177 0.000 1.261 136 I HN 0.516 nan 8.210 nan 0.000 0.448 137 F N 6.092 126.030 119.950 -0.019 0.000 2.420 137 F HA 0.450 4.793 4.527 -0.307 0.000 0.342 137 F C 0.294 176.086 175.800 -0.014 0.000 1.113 137 F CA -0.891 57.100 58.000 -0.016 0.000 1.059 137 F CB 1.206 40.192 39.000 -0.023 0.000 1.128 137 F HN 0.180 nan 8.300 nan 0.000 0.475 138 I N 3.559 124.213 120.570 0.140 0.000 2.308 138 I HA 0.245 4.230 4.170 -0.308 0.000 0.293 138 I C 0.790 176.950 176.117 0.072 0.000 1.078 138 I CA -0.019 61.332 61.300 0.085 0.000 1.292 138 I CB -0.093 37.942 38.000 0.058 0.000 1.423 138 I HN 0.718 nan 8.210 nan 0.000 0.493 139 G N 4.446 113.276 108.800 0.050 0.000 2.882 139 G HA2 0.513 4.288 3.960 -0.308 0.000 0.164 139 G HA3 0.513 4.288 3.960 -0.308 0.000 0.164 139 G C -0.567 174.329 174.900 -0.007 0.000 1.429 139 G CA -0.235 44.861 45.100 -0.006 0.000 1.059 139 G HN 0.534 nan 8.290 nan 0.000 0.581 140 S N -2.784 112.907 115.700 -0.015 0.000 2.542 140 S HA 0.232 4.517 4.470 -0.308 0.000 0.276 140 S C 0.644 175.262 174.600 0.030 0.000 1.148 140 S CA 0.138 58.359 58.200 0.035 0.000 0.886 140 S CB 1.446 64.724 63.200 0.130 0.000 1.109 140 S HN 1.052 nan 8.310 nan 0.000 0.458 141 V N 4.262 124.186 119.914 0.018 0.000 2.370 141 V HA -0.113 3.822 4.120 -0.308 0.000 0.252 141 V C 2.393 178.575 176.094 0.148 0.000 1.068 141 V CA 3.169 65.481 62.300 0.020 0.000 1.061 141 V CB -0.730 31.038 31.823 -0.093 0.000 0.656 141 V HN 0.998 nan 8.190 nan 0.000 0.455 142 S N -0.221 115.583 115.700 0.174 0.000 2.387 142 S HA -0.173 4.112 4.470 -0.308 0.000 0.230 142 S C 2.010 176.694 174.600 0.139 0.000 1.035 142 S CA 1.832 60.163 58.200 0.219 0.000 1.014 142 S CB -0.966 62.383 63.200 0.249 0.000 0.836 142 S HN 0.878 nan 8.310 nan 0.000 0.466 143 G N 1.067 109.907 108.800 0.067 0.000 2.574 143 G HA2 -0.209 3.566 3.960 -0.308 0.000 0.220 143 G HA3 -0.209 3.566 3.960 -0.308 0.000 0.220 143 G C 1.237 176.156 174.900 0.032 0.000 1.173 143 G CA 1.323 46.430 45.100 0.011 0.000 0.772 143 G HN 0.562 nan 8.290 nan 0.000 0.585 144 L N -2.316 118.947 121.223 0.066 0.000 2.664 144 L HA 0.317 4.472 4.340 -0.308 0.000 0.233 144 L C 2.130 179.088 176.870 0.146 0.000 1.113 144 L CA -0.389 54.490 54.840 0.066 0.000 0.896 144 L CB 0.205 42.283 42.059 0.031 0.000 1.163 144 L HN 0.346 nan 8.230 nan 0.000 0.497 145 W N 1.448 122.730 121.300 -0.030 0.000 2.576 145 W HA 0.263 4.724 4.660 -0.332 0.000 0.275 145 W C 1.157 177.653 176.519 -0.039 0.000 1.241 145 W CA 0.730 58.057 57.345 -0.031 0.000 1.328 145 W CB 0.293 29.735 29.460 -0.030 0.000 1.092 145 W HN 0.081 nan 8.180 nan 0.000 0.586 146 G N 2.433 111.213 108.800 -0.032 0.000 2.815 146 G HA2 -0.249 3.526 3.960 -0.308 0.000 0.234 146 G HA3 -0.249 3.526 3.960 -0.308 0.000 0.234 146 G C -0.644 174.051 174.900 -0.342 0.000 0.971 146 G CA -0.230 44.762 45.100 -0.179 0.000 1.124 146 G HN 0.209 nan 8.290 nan 0.000 0.435 147 I N 1.850 122.334 120.570 -0.144 0.000 2.385 147 I HA 0.502 4.487 4.170 -0.308 0.000 0.294 147 I C 1.441 177.482 176.117 -0.127 0.000 0.988 147 I CA -0.257 60.951 61.300 -0.154 0.000 1.265 147 I CB 1.531 39.544 38.000 0.022 0.000 1.388 147 I HN 0.564 nan 8.210 nan 0.000 0.480 148 G N 3.280 111.984 108.800 -0.159 0.000 2.544 148 G HA2 0.088 3.863 3.960 -0.308 0.000 0.242 148 G HA3 0.088 3.863 3.960 -0.308 0.000 0.242 148 G C 0.353 175.161 174.900 -0.154 0.000 1.247 148 G CA -0.184 44.832 45.100 -0.141 0.000 0.840 148 G HN 0.972 nan 8.290 nan 0.000 0.578 149 N N -0.645 117.947 118.700 -0.180 0.000 2.800 149 N HA -0.165 4.390 4.740 -0.308 0.000 0.250 149 N C 0.243 175.696 175.510 -0.095 0.000 1.078 149 N CA 0.804 53.723 53.050 -0.219 0.000 0.804 149 N CB -0.427 37.831 38.487 -0.382 0.000 1.135 149 N HN 0.653 nan 8.380 nan 0.000 0.565 150 Q N -0.945 118.836 119.800 -0.032 0.000 2.217 150 Q HA 0.352 4.507 4.340 -0.308 0.000 0.340 150 Q C 1.065 177.115 176.000 0.084 0.000 0.893 150 Q CA 0.156 55.981 55.803 0.036 0.000 1.142 150 Q CB 1.019 29.793 28.738 0.060 0.000 1.288 150 Q HN 0.391 nan 8.270 nan 0.000 0.426 151 A N 1.523 124.400 122.820 0.094 0.000 1.902 151 A HA -0.255 3.880 4.320 -0.308 0.000 0.217 151 A C 1.824 179.525 177.584 0.195 0.000 1.181 151 A CA 2.007 54.136 52.037 0.154 0.000 0.623 151 A CB -0.553 18.557 19.000 0.184 0.000 0.818 151 A HN 0.711 nan 8.150 nan 0.000 0.443 152 N N -2.456 116.319 118.700 0.126 0.000 2.135 152 N HA -0.218 4.337 4.740 -0.308 0.000 0.186 152 N C 1.952 177.362 175.510 -0.167 0.000 1.027 152 N CA 1.481 54.397 53.050 -0.222 0.000 0.849 152 N CB -0.524 37.800 38.487 -0.272 0.000 1.002 152 N HN 0.446 nan 8.380 nan 0.000 0.425 153 Y N 1.662 121.884 120.300 -0.130 0.000 2.145 153 Y HA -0.089 4.277 4.550 -0.307 0.000 0.286 153 Y C 2.779 178.633 175.900 -0.077 0.000 1.145 153 Y CA 1.610 59.649 58.100 -0.101 0.000 1.148 153 Y CB -0.560 37.860 38.460 -0.067 0.000 0.981 153 Y HN 0.223 nan 8.280 nan 0.000 0.507 154 A N 0.293 123.151 122.820 0.064 0.000 1.908 154 A HA -0.173 3.962 4.320 -0.308 0.000 0.218 154 A C 2.410 179.955 177.584 -0.065 0.000 1.181 154 A CA 2.038 54.076 52.037 0.002 0.000 0.627 154 A CB -1.521 17.510 19.000 0.051 0.000 0.818 154 A HN 0.591 nan 8.150 nan 0.000 0.445 155 A N 0.269 123.062 122.820 -0.046 0.000 1.902 155 A HA -0.108 4.027 4.320 -0.308 0.000 0.217 155 A C 2.542 180.047 177.584 -0.131 0.000 1.181 155 A CA 2.449 54.461 52.037 -0.041 0.000 0.623 155 A CB -0.997 18.042 19.000 0.066 0.000 0.818 155 A HN 1.041 nan 8.150 nan 0.000 0.443 156 S N -0.555 115.008 115.700 -0.228 0.000 2.368 156 S HA -0.136 4.149 4.470 -0.308 0.000 0.224 156 S C 1.836 176.285 174.600 -0.252 0.000 1.029 156 S CA 1.409 59.457 58.200 -0.254 0.000 0.988 156 S CB -0.202 62.815 63.200 -0.305 0.000 0.838 156 S HN 0.401 nan 8.310 nan 0.000 0.462 157 K N 1.718 121.931 120.400 -0.312 0.000 2.186 157 K HA 0.358 4.493 4.320 -0.308 0.000 0.202 157 K C 2.409 178.912 176.600 -0.160 0.000 1.052 157 K CA 1.072 57.196 56.287 -0.272 0.000 0.965 157 K CB -1.071 31.215 32.500 -0.356 0.000 0.746 157 K HN 0.495 nan 8.250 nan 0.000 0.457 158 A N 0.972 123.717 122.820 -0.125 0.000 1.930 158 A HA -0.018 4.117 4.320 -0.308 0.000 0.217 158 A C 2.411 179.937 177.584 -0.098 0.000 1.175 158 A CA 1.828 53.814 52.037 -0.086 0.000 0.627 158 A CB -0.978 17.990 19.000 -0.054 0.000 0.815 158 A HN 0.332 nan 8.150 nan 0.000 0.443 159 G N -0.329 108.404 108.800 -0.111 0.000 2.422 159 G HA2 -0.132 3.643 3.960 -0.308 0.000 0.218 159 G HA3 -0.132 3.643 3.960 -0.308 0.000 0.218 159 G C 1.437 176.245 174.900 -0.153 0.000 1.146 159 G CA 1.333 46.364 45.100 -0.114 0.000 0.769 159 G HN 0.352 nan 8.290 nan 0.000 0.547 160 V N 1.032 120.833 119.914 -0.187 0.000 2.515 160 V HA -0.101 3.834 4.120 -0.308 0.000 0.250 160 V C 2.709 178.632 176.094 -0.285 0.000 1.058 160 V CA 1.174 63.304 62.300 -0.283 0.000 1.064 160 V CB -0.364 31.295 31.823 -0.274 0.000 0.675 160 V HN 0.392 nan 8.190 nan 0.000 0.461 161 I N 1.188 121.655 120.570 -0.173 0.000 2.179 161 I HA -0.141 3.844 4.170 -0.308 0.000 0.242 161 I C 2.682 178.725 176.117 -0.122 0.000 1.088 161 I CA 1.764 62.989 61.300 -0.125 0.000 1.357 161 I CB -0.991 36.962 38.000 -0.079 0.000 1.051 161 I HN 0.386 nan 8.210 nan 0.000 0.409 162 G N 0.521 109.253 108.800 -0.112 0.000 2.440 162 G HA2 -0.319 3.456 3.960 -0.308 0.000 0.218 162 G HA3 -0.319 3.456 3.960 -0.308 0.000 0.218 162 G C 1.758 176.593 174.900 -0.108 0.000 1.154 162 G CA 0.881 45.925 45.100 -0.094 0.000 0.767 162 G HN 0.288 nan 8.290 nan 0.000 0.552 163 M N 0.688 120.195 119.600 -0.154 0.000 2.086 163 M HA 0.040 4.335 4.480 -0.308 0.000 0.261 163 M C 2.825 179.015 176.300 -0.182 0.000 1.067 163 M CA 1.760 56.961 55.300 -0.164 0.000 1.116 163 M CB -0.111 32.359 32.600 -0.218 0.000 1.348 163 M HN 0.284 nan 8.290 nan 0.000 0.407 164 A N 0.463 123.118 122.820 -0.275 0.000 1.933 164 A HA -0.166 3.969 4.320 -0.308 0.000 0.218 164 A C 2.083 179.636 177.584 -0.053 0.000 1.175 164 A CA 1.565 53.500 52.037 -0.171 0.000 0.628 164 A CB -0.638 18.275 19.000 -0.146 0.000 0.814 164 A HN 0.574 nan 8.150 nan 0.000 0.444 165 R N -0.869 119.592 120.500 -0.066 0.000 2.115 165 R HA -0.055 4.100 4.340 -0.308 0.000 0.226 165 R C 2.569 178.848 176.300 -0.035 0.000 1.100 165 R CA 1.262 57.337 56.100 -0.042 0.000 0.980 165 R CB -0.336 29.937 30.300 -0.045 0.000 0.875 165 R HN 0.565 nan 8.270 nan 0.000 0.445 166 S N 0.996 116.673 115.700 -0.038 0.000 2.368 166 S HA -0.062 4.223 4.470 -0.308 0.000 0.224 166 S C 1.974 176.567 174.600 -0.012 0.000 1.029 166 S CA 0.802 58.987 58.200 -0.024 0.000 0.988 166 S CB -0.058 63.127 63.200 -0.024 0.000 0.838 166 S HN 0.182 nan 8.310 nan 0.000 0.462 167 I N 1.738 122.305 120.570 -0.006 0.000 2.226 167 I HA -0.157 3.828 4.170 -0.308 0.000 0.245 167 I C 2.835 178.953 176.117 0.002 0.000 1.100 167 I CA 1.171 62.478 61.300 0.012 0.000 1.374 167 I CB -0.521 37.505 38.000 0.044 0.000 1.057 167 I HN 0.395 nan 8.210 nan 0.000 0.413 168 A N 0.740 123.558 122.820 -0.003 0.000 1.898 168 A HA -0.240 3.895 4.320 -0.308 0.000 0.216 168 A C 2.344 179.912 177.584 -0.027 0.000 1.181 168 A CA 1.813 53.839 52.037 -0.019 0.000 0.620 168 A CB -0.533 18.452 19.000 -0.025 0.000 0.819 168 A HN 0.300 nan 8.150 nan 0.000 0.442 169 R N 0.120 120.606 120.500 -0.023 0.000 2.120 169 R HA -0.111 4.044 4.340 -0.308 0.000 0.234 169 R C 2.009 178.299 176.300 -0.016 0.000 1.123 169 R CA 1.962 58.049 56.100 -0.022 0.000 0.975 169 R CB -0.319 29.969 30.300 -0.020 0.000 0.866 169 R HN 0.712 nan 8.270 nan 0.000 0.446 170 E N -0.605 119.588 120.200 -0.012 0.000 2.086 170 E HA -0.037 4.128 4.350 -0.308 0.000 0.190 170 E C 1.157 177.751 176.600 -0.010 0.000 0.975 170 E CA 0.857 57.252 56.400 -0.008 0.000 0.813 170 E CB 0.188 29.887 29.700 -0.002 0.000 0.768 170 E HN 0.380 nan 8.360 nan 0.000 0.457 171 L N 0.148 121.362 121.223 -0.015 0.000 2.766 171 L HA 0.201 4.356 4.340 -0.308 0.000 0.242 171 L C 2.009 178.861 176.870 -0.031 0.000 1.136 171 L CA -0.131 54.696 54.840 -0.021 0.000 0.933 171 L CB 0.564 42.609 42.059 -0.023 0.000 1.241 171 L HN 0.004 nan 8.230 nan 0.000 0.522 172 S N 1.248 116.929 115.700 -0.032 0.000 2.399 172 S HA -0.183 4.102 4.470 -0.308 0.000 0.231 172 S C 1.920 176.510 174.600 -0.017 0.000 1.022 172 S CA 1.601 59.779 58.200 -0.038 0.000 0.983 172 S CB -0.087 63.085 63.200 -0.046 0.000 0.803 172 S HN 0.531 nan 8.310 nan 0.000 0.480 173 K N 1.489 121.885 120.400 -0.007 0.000 2.280 173 K HA 0.059 4.194 4.320 -0.308 0.000 0.202 173 K C 1.434 178.037 176.600 0.005 0.000 1.047 173 K CA 1.331 57.621 56.287 0.006 0.000 0.942 173 K CB -0.216 32.288 32.500 0.006 0.000 0.739 173 K HN 0.264 nan 8.250 nan 0.000 0.457 174 A N 1.590 124.406 122.820 -0.007 0.000 2.415 174 A HA 0.110 4.245 4.320 -0.308 0.000 0.248 174 A C 0.367 177.941 177.584 -0.017 0.000 1.299 174 A CA 0.066 52.099 52.037 -0.006 0.000 0.899 174 A CB -0.499 18.495 19.000 -0.009 0.000 0.997 174 A HN 0.554 nan 8.150 nan 0.000 0.506 175 N N -1.337 117.347 118.700 -0.026 0.000 2.741 175 N HA -0.150 4.405 4.740 -0.308 0.000 0.250 175 N C -0.862 174.543 175.510 -0.176 0.000 1.115 175 N CA 1.077 54.089 53.050 -0.062 0.000 0.724 175 N CB -1.701 36.786 38.487 -0.001 0.000 1.090 175 N HN 0.223 nan 8.380 nan 0.000 0.558 176 V N 1.255 121.083 119.914 -0.142 0.000 2.313 176 V HA 0.490 4.425 4.120 -0.308 0.000 0.278 176 V C 0.752 176.763 176.094 -0.139 0.000 1.017 176 V CA -0.052 62.142 62.300 -0.178 0.000 0.823 176 V CB 1.223 32.982 31.823 -0.107 0.000 1.010 176 V HN 0.396 nan 8.190 nan 0.000 0.443 177 T N 1.931 116.378 114.554 -0.178 0.000 2.952 177 T HA 0.888 5.053 4.350 -0.308 0.000 0.286 177 T C -0.270 174.383 174.700 -0.080 0.000 1.024 177 T CA -0.596 61.433 62.100 -0.120 0.000 1.029 177 T CB 2.196 70.983 68.868 -0.135 0.000 1.094 177 T HN 0.990 nan 8.240 nan 0.000 0.515 178 A N 2.323 125.134 122.820 -0.015 0.000 2.414 178 A HA 0.707 4.842 4.320 -0.308 0.000 0.286 178 A C -0.743 176.898 177.584 0.096 0.000 1.073 178 A CA -0.932 51.160 52.037 0.092 0.000 0.727 178 A CB 0.839 19.955 19.000 0.192 0.000 1.215 178 A HN 0.792 nan 8.150 nan 0.000 0.430 179 N N 0.386 119.152 118.700 0.109 0.000 2.312 179 N HA 0.659 5.214 4.740 -0.308 0.000 0.296 179 N C -1.302 174.314 175.510 0.178 0.000 1.193 179 N CA -0.395 52.711 53.050 0.093 0.000 0.773 179 N CB 2.353 40.851 38.487 0.019 0.000 1.435 179 N HN 0.319 nan 8.380 nan 0.000 0.484 180 V N 1.086 121.077 119.914 0.128 0.000 2.495 180 V HA 0.407 4.342 4.120 -0.308 0.000 0.298 180 V C -0.097 176.045 176.094 0.081 0.000 1.031 180 V CA -0.816 61.563 62.300 0.132 0.000 0.871 180 V CB 2.007 33.881 31.823 0.085 0.000 0.988 180 V HN 0.324 nan 8.190 nan 0.000 0.432 181 V N 3.705 123.665 119.914 0.077 0.000 2.394 181 V HA 0.673 4.608 4.120 -0.308 0.000 0.282 181 V C 0.510 176.631 176.094 0.045 0.000 1.031 181 V CA -0.296 62.039 62.300 0.058 0.000 0.881 181 V CB 1.531 33.388 31.823 0.056 0.000 0.982 181 V HN 1.000 nan 8.190 nan 0.000 0.451 182 A N 7.793 130.631 122.820 0.029 0.000 2.654 182 A HA 0.747 4.882 4.320 -0.308 0.000 0.345 182 A C -2.665 174.920 177.584 0.002 0.000 1.368 182 A CA -1.618 50.428 52.037 0.014 0.000 0.895 182 A CB 0.278 19.280 19.000 0.004 0.000 1.143 182 A HN 0.615 nan 8.150 nan 0.000 0.490 183 P HA 0.288 nan 4.420 nan 0.000 0.271 183 P C 0.900 178.174 177.300 -0.043 0.000 1.218 183 P CA 0.253 63.349 63.100 -0.006 0.000 0.780 183 P CB 1.264 32.970 31.700 0.010 0.000 0.901 184 G N 1.006 109.770 108.800 -0.060 0.000 2.928 184 G HA2 0.158 3.933 3.960 -0.308 0.000 0.163 184 G HA3 0.158 3.933 3.960 -0.308 0.000 0.163 184 G C -0.865 173.950 174.900 -0.141 0.000 1.573 184 G CA -0.345 44.685 45.100 -0.117 0.000 1.084 184 G HN 0.381 nan 8.290 nan 0.000 0.569 185 Y N 0.542 120.840 120.300 -0.003 0.000 2.531 185 Y HA 0.301 4.666 4.550 -0.307 0.000 0.347 185 Y C 0.353 176.259 175.900 0.010 0.000 1.024 185 Y CA -0.090 58.019 58.100 0.015 0.000 1.306 185 Y CB 0.502 38.978 38.460 0.026 0.000 1.149 185 Y HN -0.076 nan 8.280 nan 0.000 0.527 186 I N 3.049 123.688 120.570 0.116 0.000 2.474 186 I HA 0.107 4.092 4.170 -0.308 0.000 0.294 186 I C -0.292 175.873 176.117 0.080 0.000 1.005 186 I CA -1.225 60.121 61.300 0.078 0.000 1.113 186 I CB 1.633 39.659 38.000 0.043 0.000 1.289 186 I HN 0.521 nan 8.210 nan 0.000 0.436 187 D N 4.673 125.111 120.400 0.064 0.000 2.342 187 D HA 0.297 4.752 4.640 -0.308 0.000 0.260 187 D C 0.153 176.477 176.300 0.040 0.000 1.278 187 D CA 0.395 54.425 54.000 0.051 0.000 0.910 187 D CB 0.610 41.432 40.800 0.037 0.000 1.079 187 D HN 0.709 nan 8.370 nan 0.000 0.496 188 T N -0.046 114.531 114.554 0.039 0.000 2.676 188 T HA 0.217 4.382 4.350 -0.308 0.000 0.269 188 T C 1.092 175.806 174.700 0.024 0.000 0.952 188 T CA -0.628 61.490 62.100 0.029 0.000 1.040 188 T CB 0.864 69.749 68.868 0.027 0.000 1.352 188 T HN 0.290 nan 8.240 nan 0.000 0.554 189 D N 0.405 120.816 120.400 0.019 0.000 2.183 189 D HA -0.153 4.302 4.640 -0.308 0.000 0.203 189 D C 1.863 178.172 176.300 0.016 0.000 0.969 189 D CA 1.461 55.471 54.000 0.016 0.000 0.842 189 D CB -0.395 40.412 40.800 0.012 0.000 0.957 189 D HN 0.707 nan 8.370 nan 0.000 0.484 190 M N -0.413 119.196 119.600 0.016 0.000 2.334 190 M HA 0.149 4.444 4.480 -0.308 0.000 0.266 190 M C 1.945 178.259 176.300 0.023 0.000 1.082 190 M CA 1.311 56.619 55.300 0.013 0.000 1.141 190 M CB -0.508 32.094 32.600 0.003 0.000 1.380 190 M HN -0.269 nan 8.290 nan 0.000 0.440 191 T N 0.525 115.102 114.554 0.038 0.000 2.857 191 T HA 0.012 4.177 4.350 -0.308 0.000 0.266 191 T C 1.768 176.496 174.700 0.045 0.000 1.048 191 T CA 1.137 63.275 62.100 0.065 0.000 1.139 191 T CB -0.231 68.698 68.868 0.101 0.000 0.874 191 T HN 0.409 nan 8.240 nan 0.000 0.455 192 R N 0.600 121.120 120.500 0.033 0.000 2.555 192 R HA 0.399 4.554 4.340 -0.308 0.000 0.272 192 R C 1.258 177.568 176.300 0.016 0.000 1.089 192 R CA -0.051 56.062 56.100 0.022 0.000 1.126 192 R CB -0.071 30.241 30.300 0.019 0.000 1.250 192 R HN 0.326 nan 8.270 nan 0.000 0.551 193 A N -0.089 122.741 122.820 0.017 0.000 2.070 193 A HA 0.290 4.425 4.320 -0.308 0.000 0.202 193 A C 0.954 178.545 177.584 0.012 0.000 1.277 193 A CA 0.163 52.208 52.037 0.013 0.000 0.872 193 A CB 0.028 19.035 19.000 0.012 0.000 0.933 193 A HN 0.212 nan 8.150 nan 0.000 0.475 194 L N 1.801 123.033 121.223 0.015 0.000 2.452 194 L HA 0.500 4.655 4.340 -0.308 0.000 0.267 194 L C 0.471 177.347 176.870 0.010 0.000 1.188 194 L CA -0.233 54.616 54.840 0.014 0.000 0.821 194 L CB -0.329 41.742 42.059 0.020 0.000 1.102 194 L HN 0.596 nan 8.230 nan 0.000 0.470 195 D N 1.292 121.698 120.400 0.009 0.000 2.363 195 D HA 0.232 4.687 4.640 -0.308 0.000 0.240 195 D C 0.920 177.220 176.300 -0.001 0.000 1.236 195 D CA 0.381 54.384 54.000 0.005 0.000 0.927 195 D CB 0.829 41.633 40.800 0.006 0.000 1.150 195 D HN 0.837 nan 8.370 nan 0.000 0.458 196 E N -0.283 119.914 120.200 -0.005 0.000 2.515 196 E HA -0.079 4.086 4.350 -0.308 0.000 0.201 196 E C 2.209 178.798 176.600 -0.018 0.000 1.071 196 E CA 1.755 58.147 56.400 -0.013 0.000 0.880 196 E CB -0.985 28.707 29.700 -0.013 0.000 0.828 196 E HN 0.698 nan 8.360 nan 0.000 0.540 197 R N 1.189 121.683 120.500 -0.009 0.000 2.066 197 R HA 0.024 4.179 4.340 -0.308 0.000 0.232 197 R C 2.439 178.732 176.300 -0.011 0.000 1.131 197 R CA 1.653 57.749 56.100 -0.008 0.000 0.955 197 R CB -1.142 nan 30.300 nan 0.000 0.851 197 R HN 0.838 nan 8.270 nan 0.000 0.432 198 I N -1.150 119.416 120.570 -0.007 0.000 2.876 198 I HA -0.045 3.940 4.170 -0.308 0.000 0.264 198 I C 1.755 177.837 176.117 -0.059 0.000 1.204 198 I CA 1.252 62.547 61.300 -0.008 0.000 1.485 198 I CB -0.833 37.178 38.000 0.018 0.000 1.103 198 I HN 0.381 nan 8.210 nan 0.000 0.446 199 Q N 1.130 120.893 119.800 -0.060 0.000 2.062 199 Q HA -0.164 3.991 4.340 -0.308 0.000 0.196 199 Q C 2.287 178.218 176.000 -0.116 0.000 0.967 199 Q CA 1.322 57.068 55.803 -0.095 0.000 0.832 199 Q CB -0.089 28.620 28.738 -0.048 0.000 0.899 199 Q HN 0.467 nan 8.270 nan 0.000 0.442 200 Q N 0.266 120.018 119.800 -0.081 0.000 2.119 200 Q HA -0.083 4.072 4.340 -0.308 0.000 0.201 200 Q C 2.002 177.936 176.000 -0.110 0.000 0.972 200 Q CA 1.554 57.307 55.803 -0.084 0.000 0.847 200 Q CB -0.385 28.317 28.738 -0.059 0.000 0.903 200 Q HN 0.460 nan 8.270 nan 0.000 0.433 201 G N -0.180 108.565 108.800 -0.092 0.000 2.442 201 G HA2 -0.271 3.504 3.960 -0.308 0.000 0.219 201 G HA3 -0.271 3.504 3.960 -0.308 0.000 0.219 201 G C 1.373 176.203 174.900 -0.117 0.000 1.141 201 G CA 0.860 45.904 45.100 -0.093 0.000 0.763 201 G HN 0.477 nan 8.290 nan 0.000 0.554 202 A N 0.346 123.080 122.820 -0.143 0.000 1.968 202 A HA 0.247 4.382 4.320 -0.308 0.000 0.217 202 A C 2.357 179.852 177.584 -0.149 0.000 1.169 202 A CA 0.757 52.679 52.037 -0.191 0.000 0.638 202 A CB -0.270 18.233 19.000 -0.828 0.000 0.812 202 A HN 0.341 nan 8.150 nan 0.000 0.446 203 L N -0.674 120.446 121.223 -0.172 0.000 2.187 203 L HA -0.249 3.906 4.340 -0.308 0.000 0.213 203 L C 2.781 179.572 176.870 -0.130 0.000 1.100 203 L CA 1.599 56.368 54.840 -0.119 0.000 0.765 203 L CB -0.465 41.534 42.059 -0.101 0.000 0.904 203 L HN 0.578 nan 8.230 nan 0.000 0.437 204 Q N 0.149 119.798 119.800 -0.253 0.000 2.181 204 Q HA -0.198 3.957 4.340 -0.308 0.000 0.205 204 Q C 1.697 177.500 176.000 -0.329 0.000 0.980 204 Q CA 1.653 57.235 55.803 -0.368 0.000 0.862 204 Q CB 0.009 28.379 28.738 -0.612 0.000 0.905 204 Q HN 0.526 nan 8.270 nan 0.000 0.429 205 F N -0.278 119.711 119.950 0.064 0.000 2.732 205 F HA 0.256 4.601 4.527 -0.303 0.000 0.303 205 F C 0.113 175.921 175.800 0.013 0.000 1.110 205 F CA -0.258 57.812 58.000 0.117 0.000 1.355 205 F CB 0.639 39.824 39.000 0.309 0.000 1.081 205 F HN -0.080 nan 8.300 nan 0.000 0.565 206 I N 1.422 122.053 120.570 0.101 0.000 2.354 206 I HA 0.217 4.202 4.170 -0.308 0.000 0.286 206 I C -1.770 174.356 176.117 0.014 0.000 1.007 206 I CA -2.066 59.256 61.300 0.035 0.000 1.167 206 I CB 1.482 39.498 38.000 0.027 0.000 1.320 206 I HN -0.203 nan 8.210 nan 0.000 0.458 207 P HA -0.228 nan 4.420 nan 0.000 0.216 207 P C 1.483 178.782 177.300 -0.001 0.000 1.150 207 P CA 1.178 64.283 63.100 0.007 0.000 0.843 207 P CB 0.291 31.994 31.700 0.006 0.000 0.787 208 A N -0.569 122.249 122.820 -0.004 0.000 2.070 208 A HA -0.149 3.986 4.320 -0.308 0.000 0.220 208 A C 0.957 178.537 177.584 -0.006 0.000 1.159 208 A CA 1.141 53.175 52.037 -0.004 0.000 0.656 208 A CB -0.835 18.164 19.000 -0.003 0.000 0.800 208 A HN 0.059 nan 8.150 nan 0.000 0.453 209 K N -1.325 119.069 120.400 -0.009 0.000 3.129 209 K HA -0.196 3.939 4.320 -0.308 0.000 0.273 209 K C -0.020 176.569 176.600 -0.018 0.000 1.123 209 K CA 1.600 57.875 56.287 -0.019 0.000 0.800 209 K CB -1.986 30.501 32.500 -0.021 0.000 1.238 209 K HN 1.003 nan 8.250 nan 0.000 0.492 210 R N -2.841 117.653 120.500 -0.009 0.000 2.716 210 R HA 0.574 4.729 4.340 -0.308 0.000 0.271 210 R C -0.654 175.653 176.300 0.011 0.000 1.028 210 R CA -0.966 55.131 56.100 -0.005 0.000 0.883 210 R CB 1.270 31.569 30.300 -0.001 0.000 1.250 210 R HN -0.096 nan 8.270 nan 0.000 0.465 211 V N 0.974 120.899 119.914 0.018 0.000 3.003 211 V HA 0.523 4.458 4.120 -0.308 0.000 0.305 211 V C 0.505 176.625 176.094 0.043 0.000 1.078 211 V CA 0.688 63.017 62.300 0.049 0.000 1.083 211 V CB 1.292 33.146 31.823 0.051 0.000 1.039 211 V HN 0.892 nan 8.190 nan 0.000 0.481 212 G N 3.040 111.874 108.800 0.056 0.000 2.528 212 G HA2 0.568 4.343 3.960 -0.308 0.000 0.289 212 G HA3 0.568 4.343 3.960 -0.308 0.000 0.289 212 G C -0.163 174.759 174.900 0.037 0.000 1.192 212 G CA 0.187 45.310 45.100 0.039 0.000 0.921 212 G HN 1.107 nan 8.290 nan 0.000 0.512 213 T N -1.868 112.703 114.554 0.029 0.000 2.940 213 T HA 0.523 4.688 4.350 -0.308 0.000 0.288 213 T C -1.873 172.844 174.700 0.027 0.000 1.033 213 T CA -1.674 60.442 62.100 0.026 0.000 1.033 213 T CB 2.390 71.270 68.868 0.021 0.000 1.079 213 T HN 0.129 nan 8.240 nan 0.000 0.496 214 P HA -0.077 nan 4.420 nan 0.000 0.216 214 P C 1.585 178.901 177.300 0.028 0.000 1.150 214 P CA 1.499 64.615 63.100 0.027 0.000 0.843 214 P CB -0.227 31.488 31.700 0.024 0.000 0.787 215 A N -0.233 122.602 122.820 0.025 0.000 1.969 215 A HA -0.207 3.928 4.320 -0.308 0.000 0.218 215 A C 2.108 179.710 177.584 0.030 0.000 1.169 215 A CA 1.500 53.553 52.037 0.026 0.000 0.635 215 A CB -1.052 17.960 19.000 0.021 0.000 0.810 215 A HN 0.194 nan 8.150 nan 0.000 0.445 216 E N -0.365 119.851 120.200 0.026 0.000 2.150 216 E HA -0.086 4.079 4.350 -0.308 0.000 0.193 216 E C 1.900 178.520 176.600 0.033 0.000 0.985 216 E CA 1.098 57.513 56.400 0.026 0.000 0.814 216 E CB -0.147 29.565 29.700 0.020 0.000 0.752 216 E HN 0.443 nan 8.360 nan 0.000 0.466 217 V N 1.268 121.202 119.914 0.034 0.000 2.323 217 V HA -0.216 3.719 4.120 -0.308 0.000 0.244 217 V C 2.352 178.475 176.094 0.049 0.000 1.041 217 V CA 1.711 64.035 62.300 0.040 0.000 1.025 217 V CB -0.716 31.128 31.823 0.036 0.000 0.656 217 V HN 0.294 nan 8.190 nan 0.000 0.451 218 A N 0.864 123.712 122.820 0.046 0.000 1.940 218 A HA -0.131 4.004 4.320 -0.308 0.000 0.219 218 A C 2.405 180.032 177.584 0.072 0.000 1.176 218 A CA 2.038 54.107 52.037 0.054 0.000 0.631 218 A CB -1.248 17.780 19.000 0.047 0.000 0.814 218 A HN 0.541 nan 8.150 nan 0.000 0.446 219 G N -0.700 108.140 108.800 0.067 0.000 2.422 219 G HA2 -0.089 3.686 3.960 -0.308 0.000 0.218 219 G HA3 -0.089 3.686 3.960 -0.308 0.000 0.218 219 G C 1.459 176.431 174.900 0.121 0.000 1.146 219 G CA 1.265 46.414 45.100 0.082 0.000 0.769 219 G HN 0.351 nan 8.290 nan 0.000 0.547 220 V N 0.524 120.505 119.914 0.113 0.000 2.379 220 V HA -0.128 3.807 4.120 -0.308 0.000 0.245 220 V C 2.986 179.192 176.094 0.186 0.000 1.044 220 V CA 1.247 63.647 62.300 0.166 0.000 1.036 220 V CB -0.308 31.586 31.823 0.120 0.000 0.664 220 V HN 0.237 nan 8.190 nan 0.000 0.453 221 V N -0.022 119.961 119.914 0.114 0.000 2.392 221 V HA -0.273 3.662 4.120 -0.308 0.000 0.249 221 V C 2.699 178.847 176.094 0.090 0.000 1.059 221 V CA 2.358 64.704 62.300 0.075 0.000 1.051 221 V CB -0.780 31.070 31.823 0.045 0.000 0.658 221 V HN 0.628 nan 8.190 nan 0.000 0.455 222 S N -0.297 115.485 115.700 0.137 0.000 2.370 222 S HA -0.242 4.043 4.470 -0.308 0.000 0.226 222 S C 1.939 176.665 174.600 0.210 0.000 1.033 222 S CA 2.044 60.352 58.200 0.180 0.000 1.011 222 S CB -0.463 62.844 63.200 0.179 0.000 0.852 222 S HN 0.604 nan 8.310 nan 0.000 0.457 223 F N 2.104 122.104 119.950 0.084 0.000 2.102 223 F HA 0.043 4.382 4.527 -0.313 0.000 0.298 223 F C 1.795 177.639 175.800 0.073 0.000 1.105 223 F CA 1.517 59.564 58.000 0.079 0.000 1.239 223 F CB -0.640 38.395 39.000 0.057 0.000 0.991 223 F HN 0.205 nan 8.300 nan 0.000 0.474 224 L N 0.025 121.103 121.223 -0.243 0.000 2.275 224 L HA -0.096 4.059 4.340 -0.308 0.000 0.215 224 L C 2.476 179.216 176.870 -0.217 0.000 1.119 224 L CA 0.944 55.574 54.840 -0.351 0.000 0.790 224 L CB -0.937 41.039 42.059 -0.139 0.000 0.919 224 L HN 0.303 nan 8.230 nan 0.000 0.443 225 A N -0.727 122.034 122.820 -0.098 0.000 2.251 225 A HA 0.061 4.196 4.320 -0.308 0.000 0.209 225 A C 1.330 178.925 177.584 0.019 0.000 1.187 225 A CA 0.465 52.462 52.037 -0.066 0.000 0.823 225 A CB -0.245 18.698 19.000 -0.095 0.000 0.846 225 A HN 0.424 nan 8.150 nan 0.000 0.486 226 S N -1.132 114.579 115.700 0.018 0.000 2.707 226 S HA 0.328 4.613 4.470 -0.308 0.000 0.276 226 S C 0.541 175.156 174.600 0.025 0.000 1.179 226 S CA -0.430 57.825 58.200 0.091 0.000 0.992 226 S CB 0.673 63.970 63.200 0.162 0.000 1.030 226 S HN 0.231 nan 8.310 nan 0.000 0.554 227 E N 0.376 120.607 120.200 0.051 0.000 2.347 227 E HA -0.061 4.104 4.350 -0.308 0.000 0.196 227 E C 0.561 177.192 176.600 0.052 0.000 1.008 227 E CA 0.542 56.971 56.400 0.048 0.000 0.852 227 E CB -0.302 29.418 29.700 0.033 0.000 0.783 227 E HN 0.612 nan 8.360 nan 0.000 0.505 228 D N 0.315 120.753 120.400 0.063 0.000 2.347 228 D HA -0.017 4.438 4.640 -0.308 0.000 0.215 228 D C 1.228 177.542 176.300 0.024 0.000 0.976 228 D CA 0.404 54.475 54.000 0.118 0.000 0.884 228 D CB 0.280 41.259 40.800 0.298 0.000 0.915 228 D HN 0.097 nan 8.370 nan 0.000 0.526 229 A N 0.308 123.018 122.820 -0.183 0.000 2.308 229 A HA 0.059 4.194 4.320 -0.308 0.000 0.217 229 A C 2.088 179.608 177.584 -0.107 0.000 1.216 229 A CA 0.394 52.234 52.037 -0.328 0.000 0.864 229 A CB -0.099 18.539 19.000 -0.604 0.000 0.902 229 A HN 0.143 nan 8.150 nan 0.000 0.499 230 S N -1.023 114.674 115.700 -0.006 0.000 2.387 230 S HA -0.219 4.066 4.470 -0.308 0.000 0.230 230 S C 1.394 176.065 174.600 0.120 0.000 1.035 230 S CA 1.446 59.672 58.200 0.043 0.000 1.014 230 S CB -0.598 62.650 63.200 0.080 0.000 0.836 230 S HN 0.549 nan 8.310 nan 0.000 0.466 231 Y N 1.805 122.095 120.300 -0.017 0.000 2.532 231 Y HA 0.528 4.897 4.550 -0.302 0.000 0.283 231 Y C -0.032 175.868 175.900 -0.000 0.000 1.181 231 Y CA -1.868 56.230 58.100 -0.004 0.000 1.256 231 Y CB -0.153 38.317 38.460 0.016 0.000 1.112 231 Y HN 0.227 nan 8.280 nan 0.000 0.521 232 I N 0.444 121.007 120.570 -0.013 0.000 2.330 232 I HA 0.294 4.279 4.170 -0.308 0.000 0.289 232 I C -0.076 175.987 176.117 -0.091 0.000 1.001 232 I CA -0.442 60.825 61.300 -0.056 0.000 1.193 232 I CB 1.248 39.246 38.000 -0.003 0.000 1.345 232 I HN -0.141 nan 8.210 nan 0.000 0.461 233 S N 3.582 119.215 115.700 -0.112 0.000 2.572 233 S HA 0.622 4.907 4.470 -0.308 0.000 0.274 233 S C 0.338 174.897 174.600 -0.068 0.000 1.150 233 S CA 0.243 58.389 58.200 -0.090 0.000 0.944 233 S CB 1.588 64.722 63.200 -0.110 0.000 1.071 233 S HN 1.042 nan 8.310 nan 0.000 0.479 234 G N 2.080 110.860 108.800 -0.033 0.000 2.143 234 G HA2 -0.088 3.687 3.960 -0.308 0.000 0.248 234 G HA3 -0.088 3.687 3.960 -0.308 0.000 0.248 234 G C 0.269 175.160 174.900 -0.015 0.000 0.991 234 G CA 0.206 45.293 45.100 -0.023 0.000 0.689 234 G HN 1.318 nan 8.290 nan 0.000 0.522 235 A N -0.609 122.209 122.820 -0.004 0.000 2.316 235 A HA 0.765 4.900 4.320 -0.308 0.000 0.284 235 A C 0.251 177.848 177.584 0.023 0.000 1.115 235 A CA -0.021 52.022 52.037 0.009 0.000 0.812 235 A CB 1.471 20.484 19.000 0.022 0.000 1.064 235 A HN 1.139 nan 8.150 nan 0.000 0.489 236 V N 3.641 123.566 119.914 0.018 0.000 2.334 236 V HA 0.280 4.215 4.120 -0.308 0.000 0.281 236 V C -0.300 175.811 176.094 0.028 0.000 1.016 236 V CA 0.003 62.316 62.300 0.021 0.000 0.832 236 V CB 0.687 32.512 31.823 0.004 0.000 0.999 236 V HN 0.674 nan 8.190 nan 0.000 0.439 237 I N 8.254 128.850 120.570 0.043 0.000 2.307 237 I HA 0.349 4.334 4.170 -0.308 0.000 0.289 237 I C -2.158 173.977 176.117 0.030 0.000 1.021 237 I CA -1.869 59.460 61.300 0.047 0.000 1.224 237 I CB 2.051 40.101 38.000 0.083 0.000 1.376 237 I HN 0.402 nan 8.210 nan 0.000 0.470 238 P HA 0.145 nan 4.420 nan 0.000 0.281 238 P C -0.558 176.738 177.300 -0.005 0.000 1.252 238 P CA -0.223 62.873 63.100 -0.007 0.000 0.778 238 P CB 1.673 33.357 31.700 -0.027 0.000 0.895 239 V N 3.757 123.667 119.914 -0.006 0.000 2.315 239 V HA 0.204 4.139 4.120 -0.308 0.000 0.265 239 V C 0.156 176.242 176.094 -0.013 0.000 1.019 239 V CA -0.131 62.168 62.300 -0.002 0.000 0.824 239 V CB 0.453 32.285 31.823 0.015 0.000 1.072 239 V HN 0.681 nan 8.190 nan 0.000 0.448 240 D N 1.200 121.583 120.400 -0.028 0.000 2.567 240 D HA 0.164 4.619 4.640 -0.308 0.000 0.268 240 D C 1.244 177.521 176.300 -0.040 0.000 1.448 240 D CA 0.334 54.307 54.000 -0.044 0.000 0.811 240 D CB 0.260 40.998 40.800 -0.103 0.000 1.192 240 D HN 0.628 nan 8.370 nan 0.000 0.488 241 G N 0.410 109.195 108.800 -0.024 0.000 2.203 241 G HA2 -0.028 3.747 3.960 -0.308 0.000 0.263 241 G HA3 -0.028 3.747 3.960 -0.308 0.000 0.263 241 G C 1.285 176.166 174.900 -0.032 0.000 1.012 241 G CA 0.865 45.954 45.100 -0.019 0.000 0.749 241 G HN 1.505 nan 8.290 nan 0.000 0.512 242 G N -1.316 107.454 108.800 -0.050 0.000 2.175 242 G HA2 -0.287 3.488 3.960 -0.308 0.000 0.244 242 G HA3 -0.287 3.488 3.960 -0.308 0.000 0.244 242 G C 1.107 175.939 174.900 -0.113 0.000 0.982 242 G CA 1.398 46.462 45.100 -0.059 0.000 0.641 242 G HN 1.382 nan 8.290 nan 0.000 0.527 243 M N 0.770 120.261 119.600 -0.182 0.000 2.108 243 M HA 0.041 4.336 4.480 -0.308 0.000 0.261 243 M C 2.234 178.155 176.300 -0.632 0.000 1.066 243 M CA 2.807 57.890 55.300 -0.362 0.000 1.107 243 M CB -0.259 32.077 32.600 -0.440 0.000 1.356 243 M HN 0.371 nan 8.290 nan 0.000 0.406 244 G N 0.022 108.509 108.800 -0.522 0.000 3.088 244 G HA2 0.175 3.950 3.960 -0.308 0.000 0.212 244 G HA3 0.175 3.950 3.960 -0.308 0.000 0.212 244 G C 0.423 175.228 174.900 -0.158 0.000 1.173 244 G CA -0.457 44.338 45.100 -0.508 0.000 0.779 244 G HN 0.351 nan 8.290 nan 0.000 0.540 245 M N 1.040 120.585 119.600 -0.092 0.000 2.251 245 M HA 0.380 4.675 4.480 -0.308 0.000 0.343 245 M C 0.945 177.300 176.300 0.091 0.000 1.245 245 M CA 1.237 56.544 55.300 0.012 0.000 1.061 245 M CB 0.540 33.151 32.600 0.019 0.000 1.723 245 M HN 0.259 nan 8.290 nan 0.000 0.449 246 G N 0.871 109.734 108.800 0.105 0.000 2.398 246 G HA2 0.164 3.939 3.960 -0.308 0.000 0.251 246 G HA3 0.164 3.939 3.960 -0.308 0.000 0.251 246 G C -1.972 173.029 174.900 0.168 0.000 1.277 246 G CA -0.728 44.462 45.100 0.149 0.000 0.927 246 G HN 0.754 nan 8.290 nan 0.000 0.477 247 H N 0.000 119.111 119.070 0.069 0.000 2.539 247 H HA 0.000 4.567 4.556 0.018 0.000 0.296 247 H CA 0.000 56.077 56.048 0.048 0.000 1.023 247 H CB 0.000 29.783 29.762 0.036 0.000 1.292 247 H HN 0.000 nan 8.280 nan 0.000 0.496