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 1evy_1_A DATA FIRST_RESID 9 DATA SEQUENCE KDELLYLNKA VVFGSGAFGT ALAMVLSKKC REVCVWHMNE EEVRLVNEKR DATA SEQUENCE ENVLFLKGVQ LASNITFTSD VEKAYNGAEI ILFVIPTQFL RGFFEKSGGN DATA SEQUENCE LIAYAKEKQV PVLVCTKGIE RSTLKFPAEI IGEFLPSPLL SVLAGPSFAI DATA SEQUENCE EVATGVFTCV SIASADINVA RRLQRIMSTG DRSFVCWATT DTVGCEVASA DATA SEQUENCE VKNVLAIGSG VANGLGMGLN ARAALIMRGL LEIRDLTAAL GGDGSAVFGL DATA SEQUENCE AGLGDLQLTC SSELSRNFTV GKKLGKGLPI EEIQRXXXAV AEGVATADPL DATA SEQUENCE MRLAKQLKVK MPLCHQIYEI VYKKKNPRDA LADLLSCGLQ DEGLPPLFK 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 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.591 176.600 -0.015 0.000 0.988 9 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 9 K CB 0.000 32.500 32.500 0.000 0.000 1.064 10 D N 0.828 121.218 120.400 -0.017 0.000 2.336 10 D HA 0.027 4.667 4.640 -0.000 0.000 0.229 10 D C 0.444 176.732 176.300 -0.019 0.000 1.061 10 D CA 0.017 53.998 54.000 -0.030 0.000 0.875 10 D CB 0.380 41.158 40.800 -0.036 0.000 0.904 10 D HN 0.602 nan 8.370 nan 0.000 0.525 11 E N 1.129 121.327 120.200 -0.003 0.000 2.257 11 E HA 0.119 4.469 4.350 -0.000 0.000 0.278 11 E C 0.183 176.788 176.600 0.009 0.000 1.049 11 E CA -0.339 56.071 56.400 0.017 0.000 0.876 11 E CB 0.600 30.317 29.700 0.027 0.000 1.035 11 E HN 0.169 nan 8.360 nan 0.000 0.419 12 L N 3.815 125.047 121.223 0.014 0.000 2.473 12 L HA 0.163 4.503 4.340 -0.000 0.000 0.265 12 L C 0.204 177.046 176.870 -0.047 0.000 1.243 12 L CA 0.034 54.833 54.840 -0.069 0.000 0.822 12 L CB 0.085 42.035 42.059 -0.180 0.000 1.101 12 L HN 0.473 nan 8.230 nan 0.000 0.507 13 L N 0.420 121.543 121.223 -0.166 0.000 2.385 13 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 13 L C -1.151 175.590 176.870 -0.215 0.000 0.990 13 L CA -0.418 54.381 54.840 -0.068 0.000 0.821 13 L CB 1.858 43.892 42.059 -0.041 0.000 1.279 13 L HN 0.302 nan 8.230 nan 0.000 0.412 14 Y N 3.283 123.584 120.300 0.003 0.000 2.420 14 Y HA 0.712 5.262 4.550 -0.000 0.000 0.334 14 Y C -0.053 175.849 175.900 0.003 0.000 1.094 14 Y CA -0.556 57.545 58.100 0.002 0.000 1.126 14 Y CB 1.682 40.143 38.460 0.002 0.000 1.217 14 Y HN 0.291 nan 8.280 nan 0.000 0.462 15 L N 0.948 122.256 121.223 0.141 0.000 2.277 15 L HA 0.484 4.824 4.340 -0.000 0.000 0.254 15 L C 0.413 177.330 176.870 0.079 0.000 1.044 15 L CA -1.009 53.882 54.840 0.085 0.000 0.842 15 L CB 1.630 43.714 42.059 0.041 0.000 1.422 15 L HN 0.602 nan 8.230 nan 0.000 0.422 16 N N 0.071 118.807 118.700 0.059 0.000 2.251 16 N HA 0.029 4.769 4.740 -0.000 0.000 0.181 16 N C -0.007 175.527 175.510 0.040 0.000 1.019 16 N CA 0.944 54.023 53.050 0.048 0.000 0.862 16 N CB 0.612 39.124 38.487 0.043 0.000 0.992 16 N HN 0.423 nan 8.380 nan 0.000 0.429 17 K N -0.237 120.189 120.400 0.044 0.000 2.532 17 K HA 0.635 4.955 4.320 -0.000 0.000 0.265 17 K C -1.964 174.654 176.600 0.029 0.000 0.948 17 K CA -0.579 55.728 56.287 0.034 0.000 0.842 17 K CB 2.548 35.076 32.500 0.046 0.000 1.392 17 K HN -0.003 nan 8.250 nan 0.000 0.436 18 A N 1.706 124.527 122.820 0.003 0.000 2.549 18 A HA 0.675 4.994 4.320 -0.000 0.000 0.297 18 A C -1.816 175.733 177.584 -0.058 0.000 1.061 18 A CA -0.662 51.363 52.037 -0.020 0.000 0.690 18 A CB 1.940 20.913 19.000 -0.046 0.000 1.287 18 A HN 0.417 nan 8.150 nan 0.000 0.402 19 V N 1.548 121.409 119.914 -0.089 0.000 2.962 19 V HA 0.803 4.923 4.120 -0.000 0.000 0.313 19 V C -1.404 174.508 176.094 -0.303 0.000 1.099 19 V CA -0.500 61.671 62.300 -0.214 0.000 0.971 19 V CB 2.171 33.846 31.823 -0.248 0.000 1.028 19 V HN 0.956 nan 8.190 nan 0.000 0.430 20 V N 6.190 125.862 119.914 -0.403 0.000 2.407 20 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 20 V C -0.765 175.050 176.094 -0.465 0.000 1.018 20 V CA -0.361 61.726 62.300 -0.354 0.000 0.842 20 V CB 1.376 33.045 31.823 -0.256 0.000 0.996 20 V HN 0.739 nan 8.190 nan 0.000 0.426 21 F N 3.448 123.246 119.950 -0.254 0.000 2.375 21 F HA 0.692 5.219 4.527 -0.000 0.000 0.362 21 F C 0.946 176.721 175.800 -0.041 0.000 1.129 21 F CA 0.243 58.155 58.000 -0.146 0.000 1.154 21 F CB 1.394 40.099 39.000 -0.490 0.000 1.205 21 F HN 0.707 nan 8.300 nan 0.000 0.513 22 G N 1.350 110.244 108.800 0.157 0.000 3.162 22 G HA2 0.131 4.091 3.960 -0.000 0.000 0.599 22 G HA3 0.131 4.091 3.960 -0.000 0.000 0.599 22 G C -0.169 174.704 174.900 -0.045 0.000 1.335 22 G CA -0.496 44.656 45.100 0.087 0.000 1.091 22 G HN 0.765 nan 8.290 nan 0.000 0.570 23 S N 0.936 116.605 115.700 -0.052 0.000 2.601 23 S HA 0.607 5.077 4.470 -0.000 0.000 0.244 23 S C 1.241 175.835 174.600 -0.010 0.000 1.001 23 S CA 0.598 58.763 58.200 -0.057 0.000 0.984 23 S CB 0.807 64.022 63.200 0.025 0.000 0.842 23 S HN 1.695 nan 8.310 nan 0.000 0.474 24 G N 0.848 109.539 108.800 -0.182 0.000 2.535 24 G HA2 0.559 4.518 3.960 -0.000 0.000 0.282 24 G HA3 0.559 4.518 3.960 -0.000 0.000 0.282 24 G C 1.135 176.076 174.900 0.068 0.000 1.350 24 G CA -0.357 44.541 45.100 -0.337 0.000 1.039 24 G HN 0.450 nan 8.290 nan 0.000 0.509 25 A N -0.711 122.206 122.820 0.160 0.000 1.884 25 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 25 A C 2.155 179.886 177.584 0.245 0.000 1.197 25 A CA 2.124 54.297 52.037 0.227 0.000 0.637 25 A CB -0.776 18.360 19.000 0.227 0.000 0.827 25 A HN 0.665 nan 8.150 nan 0.000 0.450 26 F N 0.429 120.422 119.950 0.072 0.000 2.146 26 F HA -0.002 4.525 4.527 -0.001 0.000 0.298 26 F C 2.408 178.234 175.800 0.044 0.000 1.096 26 F CA 1.099 59.141 58.000 0.069 0.000 1.275 26 F CB -0.284 38.761 39.000 0.076 0.000 1.008 26 F HN 0.291 nan 8.300 nan 0.000 0.480 27 G N -0.656 108.155 108.800 0.018 0.000 2.421 27 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 27 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 27 G C 1.565 176.410 174.900 -0.092 0.000 1.171 27 G CA 1.385 46.422 45.100 -0.104 0.000 0.775 27 G HN 0.339 nan 8.290 nan 0.000 0.543 28 T N 1.755 116.322 114.554 0.022 0.000 2.746 28 T HA -0.014 4.335 4.350 -0.000 0.000 0.267 28 T C 2.801 177.512 174.700 0.018 0.000 1.039 28 T CA 1.553 63.704 62.100 0.084 0.000 1.142 28 T CB -0.394 68.599 68.868 0.208 0.000 0.866 28 T HN 0.380 nan 8.240 nan 0.000 0.444 29 A N 1.242 124.070 122.820 0.014 0.000 1.933 29 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 29 A C 2.270 179.762 177.584 -0.154 0.000 1.175 29 A CA 1.201 53.228 52.037 -0.017 0.000 0.628 29 A CB -0.846 18.207 19.000 0.089 0.000 0.814 29 A HN 0.494 nan 8.150 nan 0.000 0.444 30 L N -0.934 120.120 121.223 -0.281 0.000 2.201 30 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 30 L C 2.991 179.700 176.870 -0.268 0.000 1.105 30 L CA 0.754 55.365 54.840 -0.382 0.000 0.775 30 L CB -0.449 41.316 42.059 -0.491 0.000 0.913 30 L HN 0.447 nan 8.230 nan 0.000 0.440 31 A N -0.216 122.500 122.820 -0.174 0.000 1.898 31 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 31 A C 2.338 179.865 177.584 -0.095 0.000 1.181 31 A CA 1.260 53.229 52.037 -0.113 0.000 0.620 31 A CB -0.301 18.676 19.000 -0.038 0.000 0.819 31 A HN 0.227 nan 8.150 nan 0.000 0.442 32 M N -0.241 119.308 119.600 -0.085 0.000 2.080 32 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 32 M C 2.229 178.458 176.300 -0.119 0.000 1.068 32 M CA 1.410 56.667 55.300 -0.072 0.000 1.109 32 M CB -1.368 31.204 32.600 -0.046 0.000 1.342 32 M HN 0.257 nan 8.290 nan 0.000 0.405 33 V N 0.577 120.357 119.914 -0.222 0.000 2.295 33 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 33 V C 2.533 178.497 176.094 -0.216 0.000 1.049 33 V CA 1.559 63.674 62.300 -0.307 0.000 1.024 33 V CB -0.743 30.677 31.823 -0.672 0.000 0.648 33 V HN 0.399 nan 8.190 nan 0.000 0.447 34 L N 0.934 122.038 121.223 -0.199 0.000 2.141 34 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 34 L C 2.634 179.459 176.870 -0.074 0.000 1.094 34 L CA 1.523 56.282 54.840 -0.135 0.000 0.763 34 L CB -0.654 41.328 42.059 -0.129 0.000 0.908 34 L HN 0.550 nan 8.230 nan 0.000 0.437 35 S N -0.232 115.430 115.700 -0.063 0.000 2.493 35 S HA -0.199 4.271 4.470 -0.000 0.000 0.243 35 S C 1.588 176.189 174.600 0.000 0.000 0.991 35 S CA 1.046 59.232 58.200 -0.024 0.000 0.957 35 S CB -0.316 62.874 63.200 -0.016 0.000 0.756 35 S HN 0.469 nan 8.310 nan 0.000 0.521 36 K N -0.147 120.250 120.400 -0.006 0.000 2.358 36 K HA 0.296 4.615 4.320 -0.000 0.000 0.197 36 K C 1.111 177.765 176.600 0.091 0.000 1.025 36 K CA -0.059 56.253 56.287 0.042 0.000 1.104 36 K CB 0.364 32.882 32.500 0.031 0.000 0.855 36 K HN 0.089 nan 8.250 nan 0.000 0.531 37 K N -0.327 120.094 120.400 0.036 0.000 2.481 37 K HA 0.211 4.531 4.320 -0.000 0.000 0.210 37 K C -0.503 176.156 176.600 0.099 0.000 1.161 37 K CA 0.061 56.353 56.287 0.008 0.000 1.023 37 K CB 1.061 33.448 32.500 -0.188 0.000 0.971 37 K HN -0.015 nan 8.250 nan 0.000 0.577 38 C N 1.065 120.408 119.300 0.072 0.000 2.396 38 C HA 0.402 4.862 4.460 -0.000 0.000 0.321 38 C C 1.851 176.873 174.990 0.054 0.000 1.233 38 C CA -0.969 58.084 59.018 0.058 0.000 1.440 38 C CB 1.954 29.699 27.740 0.009 0.000 2.110 38 C HN 0.430 nan 8.230 nan 0.000 0.473 39 R N 1.480 122.013 120.500 0.055 0.000 2.103 39 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 39 R C 0.691 177.004 176.300 0.021 0.000 1.142 39 R CA 1.708 57.829 56.100 0.035 0.000 0.960 39 R CB 0.184 30.502 30.300 0.031 0.000 0.858 39 R HN 0.843 nan 8.270 nan 0.000 0.439 40 E N -0.820 119.391 120.200 0.018 0.000 2.288 40 E HA 0.393 4.743 4.350 -0.000 0.000 0.268 40 E C -1.754 174.845 176.600 -0.002 0.000 0.885 40 E CA -0.904 55.501 56.400 0.008 0.000 0.767 40 E CB 2.232 31.936 29.700 0.007 0.000 1.220 40 E HN -0.058 nan 8.360 nan 0.000 0.427 41 V N 2.971 122.880 119.914 -0.009 0.000 2.668 41 V HA 0.350 4.470 4.120 -0.000 0.000 0.304 41 V C -0.645 175.427 176.094 -0.036 0.000 1.071 41 V CA -0.815 61.468 62.300 -0.029 0.000 0.894 41 V CB 1.487 33.289 31.823 -0.034 0.000 1.008 41 V HN 0.832 nan 8.190 nan 0.000 0.425 42 C N 4.065 123.317 119.300 -0.079 0.000 2.454 42 C HA 0.814 5.274 4.460 -0.000 0.000 0.336 42 C C 0.096 174.956 174.990 -0.217 0.000 1.189 42 C CA -0.738 58.217 59.018 -0.105 0.000 1.877 42 C CB 1.628 29.305 27.740 -0.105 0.000 2.348 42 C HN 0.631 nan 8.230 nan 0.000 0.508 43 V N 1.796 121.536 119.914 -0.289 0.000 2.376 43 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 43 V C -0.634 175.151 176.094 -0.515 0.000 1.015 43 V CA -0.395 61.597 62.300 -0.514 0.000 0.834 43 V CB 1.064 32.356 31.823 -0.884 0.000 1.001 43 V HN 0.944 nan 8.190 nan 0.000 0.428 44 W N 5.985 126.959 121.300 -0.544 0.000 2.304 44 W HA 0.513 5.173 4.660 -0.000 0.000 0.313 44 W C -0.162 176.279 176.519 -0.131 0.000 1.323 44 W CA 0.213 57.375 57.345 -0.306 0.000 1.223 44 W CB 0.353 29.629 29.460 -0.307 0.000 1.237 44 W HN 0.740 nan 8.180 nan 0.000 0.535 45 H N 6.437 124.767 119.070 -1.233 0.000 2.934 45 H HA 0.171 4.727 4.556 -0.000 0.000 0.340 45 H C 1.060 175.681 175.328 -1.179 0.000 1.008 45 H CA -0.461 54.954 56.048 -1.056 0.000 1.317 45 H CB 1.379 30.885 29.762 -0.427 0.000 1.670 45 H HN 0.594 nan 8.280 nan 0.000 0.516 46 M N 2.167 120.821 119.600 -1.576 0.000 2.088 46 M HA -0.148 4.332 4.480 -0.000 0.000 0.256 46 M C 0.748 176.802 176.300 -0.411 0.000 1.071 46 M CA 1.593 56.433 55.300 -0.765 0.000 1.097 46 M CB -0.380 32.027 32.600 -0.322 0.000 1.315 46 M HN 0.412 nan 8.290 nan 0.000 0.406 47 N N 1.705 120.141 118.700 -0.441 0.000 2.405 47 N HA -0.029 4.711 4.740 -0.000 0.000 0.260 47 N C 0.467 176.006 175.510 0.049 0.000 1.152 47 N CA 0.186 53.177 53.050 -0.099 0.000 0.948 47 N CB 0.878 39.359 38.487 -0.010 0.000 1.111 47 N HN 0.272 nan 8.380 nan 0.000 0.485 48 E N 3.332 123.544 120.200 0.020 0.000 2.077 48 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 48 E C 1.195 177.822 176.600 0.044 0.000 0.989 48 E CA 1.178 57.601 56.400 0.038 0.000 0.800 48 E CB -0.041 29.675 29.700 0.027 0.000 0.746 48 E HN 0.827 nan 8.360 nan 0.000 0.452 49 E N 0.267 120.488 120.200 0.035 0.000 2.118 49 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 49 E C 1.833 178.450 176.600 0.027 0.000 0.992 49 E CA 1.368 57.783 56.400 0.024 0.000 0.804 49 E CB -0.012 29.698 29.700 0.017 0.000 0.741 49 E HN 0.328 nan 8.360 nan 0.000 0.458 50 E N -0.247 119.993 120.200 0.067 0.000 2.072 50 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 50 E C 2.166 178.777 176.600 0.019 0.000 0.982 50 E CA 1.037 57.469 56.400 0.053 0.000 0.803 50 E CB 0.161 29.966 29.700 0.176 0.000 0.755 50 E HN 0.122 nan 8.360 nan 0.000 0.453 51 V N 1.602 121.586 119.914 0.117 0.000 2.546 51 V HA -0.302 3.818 4.120 -0.000 0.000 0.254 51 V C 2.181 178.289 176.094 0.024 0.000 1.076 51 V CA 1.732 64.100 62.300 0.113 0.000 1.087 51 V CB -0.520 31.376 31.823 0.123 0.000 0.674 51 V HN 0.239 nan 8.190 nan 0.000 0.470 52 R N -0.759 119.742 120.500 0.002 0.000 2.055 52 R HA -0.061 4.279 4.340 -0.000 0.000 0.228 52 R C 2.274 178.537 176.300 -0.062 0.000 1.143 52 R CA 1.330 57.416 56.100 -0.024 0.000 0.945 52 R CB -0.777 29.514 30.300 -0.013 0.000 0.841 52 R HN 0.386 nan 8.270 nan 0.000 0.429 53 L N 1.421 122.603 121.223 -0.067 0.000 2.013 53 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 53 L C 2.151 178.936 176.870 -0.142 0.000 1.073 53 L CA 1.667 56.452 54.840 -0.092 0.000 0.753 53 L CB -0.638 41.367 42.059 -0.091 0.000 0.890 53 L HN -0.071 nan 8.230 nan 0.000 0.432 54 V N 0.304 120.101 119.914 -0.195 0.000 2.261 54 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 54 V C 2.408 178.311 176.094 -0.320 0.000 1.047 54 V CA 2.020 64.123 62.300 -0.328 0.000 1.015 54 V CB -0.793 30.706 31.823 -0.539 0.000 0.642 54 V HN 0.546 nan 8.190 nan 0.000 0.446 55 N N -0.110 118.444 118.700 -0.244 0.000 2.309 55 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 55 N C 1.737 177.171 175.510 -0.127 0.000 1.018 55 N CA 1.216 54.160 53.050 -0.177 0.000 0.876 55 N CB -0.078 38.361 38.487 -0.081 0.000 0.972 55 N HN 0.654 nan 8.380 nan 0.000 0.434 56 E N 1.209 121.342 120.200 -0.111 0.000 2.015 56 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 56 E C 1.650 178.193 176.600 -0.095 0.000 0.991 56 E CA 0.881 57.230 56.400 -0.085 0.000 0.802 56 E CB -0.052 29.606 29.700 -0.069 0.000 0.759 56 E HN 0.301 nan 8.360 nan 0.000 0.447 57 K N 0.252 120.582 120.400 -0.116 0.000 2.360 57 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 57 K C 0.408 176.935 176.600 -0.122 0.000 1.046 57 K CA 0.528 56.746 56.287 -0.115 0.000 0.940 57 K CB 0.003 32.431 32.500 -0.121 0.000 0.748 57 K HN -0.071 nan 8.250 nan 0.000 0.465 58 R N 0.645 121.057 120.500 -0.147 0.000 3.951 58 R HA -0.151 4.188 4.340 -0.000 0.000 0.352 58 R C -0.472 175.735 176.300 -0.155 0.000 1.178 58 R CA 1.265 57.282 56.100 -0.138 0.000 0.949 58 R CB -2.247 27.999 30.300 -0.090 0.000 1.452 58 R HN 0.702 nan 8.270 nan 0.000 0.540 59 E N -0.383 119.695 120.200 -0.203 0.000 2.335 59 E HA 0.250 4.599 4.350 -0.000 0.000 0.280 59 E C -1.171 175.272 176.600 -0.262 0.000 0.918 59 E CA -0.716 55.571 56.400 -0.189 0.000 0.765 59 E CB 1.003 30.628 29.700 -0.125 0.000 1.218 59 E HN 0.051 nan 8.360 nan 0.000 0.425 60 N N 4.274 122.832 118.700 -0.236 0.000 2.605 60 N HA 0.030 4.769 4.740 -0.000 0.000 0.258 60 N C 0.817 176.233 175.510 -0.157 0.000 1.156 60 N CA 0.094 53.009 53.050 -0.226 0.000 1.008 60 N CB 0.838 39.306 38.487 -0.031 0.000 1.354 60 N HN 0.458 nan 8.380 nan 0.000 0.509 61 V N 1.686 121.479 119.914 -0.201 0.000 3.380 61 V HA -0.044 4.075 4.120 -0.000 0.000 0.268 61 V C 1.747 177.693 176.094 -0.246 0.000 1.168 61 V CA 0.833 63.026 62.300 -0.178 0.000 1.156 61 V CB -0.702 31.026 31.823 -0.158 0.000 0.785 61 V HN 0.391 nan 8.190 nan 0.000 0.487 62 L N -1.156 119.844 121.223 -0.370 0.000 2.102 62 L HA 0.256 4.596 4.340 -0.000 0.000 0.202 62 L C 2.011 178.347 176.870 -0.889 0.000 1.076 62 L CA 1.621 56.023 54.840 -0.730 0.000 0.761 62 L CB -0.271 41.135 42.059 -1.088 0.000 0.921 62 L HN 0.305 nan 8.230 nan 0.000 0.444 63 F N -2.094 117.870 119.950 0.022 0.000 2.746 63 F HA 0.289 4.816 4.527 -0.000 0.000 0.320 63 F C 0.449 176.280 175.800 0.053 0.000 1.097 63 F CA -0.184 57.847 58.000 0.053 0.000 1.195 63 F CB 0.952 40.004 39.000 0.088 0.000 1.056 63 F HN -0.160 nan 8.300 nan 0.000 0.562 64 L N 1.231 122.545 121.223 0.152 0.000 2.804 64 L HA 0.357 4.697 4.340 -0.000 0.000 0.294 64 L C -0.058 176.832 176.870 0.033 0.000 1.355 64 L CA -0.226 54.682 54.840 0.114 0.000 0.749 64 L CB -0.026 42.114 42.059 0.136 0.000 1.103 64 L HN -0.174 nan 8.230 nan 0.000 0.542 65 K N 0.039 120.441 120.400 0.004 0.000 2.485 65 K HA 0.413 4.733 4.320 -0.000 0.000 0.277 65 K C 1.261 177.852 176.600 -0.015 0.000 0.990 65 K CA 1.336 57.607 56.287 -0.027 0.000 0.994 65 K CB 0.383 32.859 32.500 -0.040 0.000 0.906 65 K HN 0.536 nan 8.250 nan 0.000 0.488 66 G N 0.915 109.699 108.800 -0.027 0.000 2.225 66 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 66 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 66 G C -0.161 174.730 174.900 -0.015 0.000 0.988 66 G CA 0.062 45.150 45.100 -0.020 0.000 0.625 66 G HN 0.449 nan 8.290 nan 0.000 0.527 67 V N 1.851 121.758 119.914 -0.013 0.000 2.370 67 V HA 0.520 4.640 4.120 -0.000 0.000 0.279 67 V C 0.557 176.635 176.094 -0.027 0.000 1.029 67 V CA -0.386 61.909 62.300 -0.008 0.000 0.870 67 V CB 1.649 33.479 31.823 0.013 0.000 0.984 67 V HN 0.473 nan 8.190 nan 0.000 0.451 68 Q N 4.224 124.008 119.800 -0.026 0.000 2.286 68 Q HA 0.474 4.814 4.340 -0.000 0.000 0.257 68 Q C -0.766 175.213 176.000 -0.036 0.000 0.941 68 Q CA -0.506 55.273 55.803 -0.040 0.000 0.912 68 Q CB 0.977 29.696 28.738 -0.033 0.000 1.192 68 Q HN 0.675 nan 8.270 nan 0.000 0.410 69 L N 2.700 123.888 121.223 -0.057 0.000 2.439 69 L HA 0.335 4.675 4.340 -0.000 0.000 0.269 69 L C 0.446 177.298 176.870 -0.030 0.000 1.179 69 L CA -0.594 54.219 54.840 -0.045 0.000 0.828 69 L CB 0.625 42.636 42.059 -0.079 0.000 1.106 69 L HN 0.734 nan 8.230 nan 0.000 0.467 70 A N 1.423 124.234 122.820 -0.014 0.000 2.466 70 A HA 0.157 4.476 4.320 -0.000 0.000 0.238 70 A C 1.312 178.889 177.584 -0.011 0.000 1.074 70 A CA 0.310 52.342 52.037 -0.009 0.000 0.774 70 A CB 0.404 19.402 19.000 -0.003 0.000 1.015 70 A HN 0.934 nan 8.150 nan 0.000 0.498 71 S N 1.350 117.044 115.700 -0.011 0.000 2.399 71 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 71 S C 1.198 175.796 174.600 -0.004 0.000 1.022 71 S CA 1.434 59.627 58.200 -0.012 0.000 0.983 71 S CB -0.583 62.610 63.200 -0.011 0.000 0.803 71 S HN 0.953 nan 8.310 nan 0.000 0.480 72 N N 1.504 120.205 118.700 0.002 0.000 2.421 72 N HA 0.128 4.868 4.740 -0.000 0.000 0.201 72 N C -0.099 175.419 175.510 0.015 0.000 1.198 72 N CA -0.027 53.027 53.050 0.007 0.000 0.838 72 N CB -0.665 37.826 38.487 0.008 0.000 1.011 72 N HN 0.540 nan 8.380 nan 0.000 0.463 73 I N 0.559 121.144 120.570 0.024 0.000 2.354 73 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 73 I C -0.462 175.711 176.117 0.092 0.000 0.989 73 I CA -0.417 60.918 61.300 0.059 0.000 1.188 73 I CB 1.769 39.818 38.000 0.082 0.000 1.342 73 I HN -0.122 nan 8.210 nan 0.000 0.457 74 T N 5.506 120.136 114.554 0.127 0.000 2.921 74 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 74 T C -0.542 174.318 174.700 0.266 0.000 1.013 74 T CA -0.500 61.698 62.100 0.164 0.000 0.990 74 T CB 1.033 69.945 68.868 0.073 0.000 1.023 74 T HN 0.008 nan 8.240 nan 0.000 0.447 75 F N 2.161 122.077 119.950 -0.057 0.000 2.399 75 F HA 0.626 5.153 4.527 -0.000 0.000 0.342 75 F C 1.127 176.900 175.800 -0.047 0.000 1.106 75 F CA -0.337 57.624 58.000 -0.064 0.000 1.196 75 F CB 1.401 40.349 39.000 -0.087 0.000 1.163 75 F HN 0.445 nan 8.300 nan 0.000 0.547 76 T N 0.365 114.945 114.554 0.043 0.000 2.956 76 T HA 0.338 4.688 4.350 -0.000 0.000 0.312 76 T C 0.260 174.943 174.700 -0.028 0.000 1.151 76 T CA -0.342 61.783 62.100 0.041 0.000 1.024 76 T CB 1.082 69.986 68.868 0.060 0.000 1.140 76 T HN 0.582 nan 8.240 nan 0.000 0.473 77 S N 2.095 117.802 115.700 0.012 0.000 2.575 77 S HA 0.176 4.646 4.470 -0.000 0.000 0.215 77 S C 0.281 175.058 174.600 0.295 0.000 0.966 77 S CA -0.286 57.906 58.200 -0.012 0.000 0.911 77 S CB 0.012 63.209 63.200 -0.005 0.000 0.780 77 S HN 0.697 nan 8.310 nan 0.000 0.514 78 D N 1.555 122.145 120.400 0.316 0.000 2.427 78 D HA 0.267 4.907 4.640 -0.000 0.000 0.226 78 D C 1.245 177.775 176.300 0.382 0.000 1.076 78 D CA -0.428 53.763 54.000 0.319 0.000 0.849 78 D CB 1.726 42.610 40.800 0.140 0.000 1.052 78 D HN -0.034 nan 8.370 nan 0.000 0.515 79 V N 4.513 124.657 119.914 0.384 0.000 2.278 79 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 79 V C 2.257 178.523 176.094 0.286 0.000 1.062 79 V CA 1.750 64.232 62.300 0.303 0.000 1.038 79 V CB -0.328 31.543 31.823 0.080 0.000 0.646 79 V HN 0.619 nan 8.190 nan 0.000 0.447 80 E N 0.097 120.333 120.200 0.060 0.000 2.072 80 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 80 E C 2.203 178.444 176.600 -0.598 0.000 0.985 80 E CA 1.076 57.244 56.400 -0.386 0.000 0.801 80 E CB -0.268 29.328 29.700 -0.173 0.000 0.750 80 E HN 0.606 nan 8.360 nan 0.000 0.452 81 K N 0.869 121.133 120.400 -0.226 0.000 2.025 81 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 81 K C 2.298 178.799 176.600 -0.166 0.000 1.049 81 K CA 0.992 57.169 56.287 -0.185 0.000 0.933 81 K CB -0.199 32.263 32.500 -0.063 0.000 0.714 81 K HN 0.049 nan 8.250 nan 0.000 0.438 82 A N 1.492 124.290 122.820 -0.037 0.000 1.884 82 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 82 A C 2.114 179.689 177.584 -0.015 0.000 1.197 82 A CA 2.111 54.141 52.037 -0.011 0.000 0.637 82 A CB -1.020 18.024 19.000 0.073 0.000 0.827 82 A HN 0.594 nan 8.150 nan 0.000 0.450 83 Y N -0.927 119.437 120.300 0.107 0.000 2.482 83 Y HA 0.312 4.861 4.550 -0.000 0.000 0.270 83 Y C 0.549 176.464 175.900 0.025 0.000 1.152 83 Y CA -0.688 57.499 58.100 0.146 0.000 1.292 83 Y CB -1.060 37.625 38.460 0.377 0.000 1.070 83 Y HN 0.247 nan 8.280 nan 0.000 0.528 84 N N 2.147 120.498 118.700 -0.582 0.000 2.374 84 N HA 0.178 4.918 4.740 -0.000 0.000 0.269 84 N C 1.286 176.698 175.510 -0.163 0.000 1.310 84 N CA 1.736 54.466 53.050 -0.533 0.000 0.877 84 N CB 0.152 38.348 38.487 -0.484 0.000 1.096 84 N HN 0.750 nan 8.380 nan 0.000 0.484 85 G N 1.695 110.466 108.800 -0.049 0.000 2.205 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 85 G C 0.312 175.371 174.900 0.264 0.000 0.980 85 G CA 0.322 45.516 45.100 0.157 0.000 0.632 85 G HN 1.022 nan 8.290 nan 0.000 0.533 86 A N 0.145 123.173 122.820 0.347 0.000 2.511 86 A HA 0.564 4.884 4.320 -0.000 0.000 0.242 86 A C 0.926 178.631 177.584 0.201 0.000 1.069 86 A CA 1.219 53.405 52.037 0.248 0.000 0.763 86 A CB 0.148 19.304 19.000 0.261 0.000 1.001 86 A HN 0.588 nan 8.150 nan 0.000 0.498 87 E N 0.971 121.230 120.200 0.099 0.000 2.498 87 E HA 0.383 4.733 4.350 -0.000 0.000 0.203 87 E C -0.254 176.357 176.600 0.018 0.000 1.013 87 E CA 0.160 56.590 56.400 0.050 0.000 0.927 87 E CB 0.534 30.261 29.700 0.046 0.000 1.012 87 E HN 0.617 nan 8.360 nan 0.000 0.482 88 I N 0.864 121.448 120.570 0.023 0.000 2.743 88 I HA 0.326 4.495 4.170 -0.000 0.000 0.292 88 I C -1.872 174.247 176.117 0.004 0.000 1.343 88 I CA -0.866 60.437 61.300 0.004 0.000 1.038 88 I CB 1.659 39.652 38.000 -0.010 0.000 1.311 88 I HN -0.120 nan 8.210 nan 0.000 0.426 89 I N 7.270 127.840 120.570 -0.001 0.000 2.465 89 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 89 I C -1.356 174.698 176.117 -0.105 0.000 1.014 89 I CA -0.834 60.438 61.300 -0.047 0.000 1.093 89 I CB 1.952 39.947 38.000 -0.009 0.000 1.267 89 I HN 0.298 nan 8.210 nan 0.000 0.431 90 L N 5.984 127.090 121.223 -0.195 0.000 2.346 90 L HA 0.531 4.871 4.340 -0.000 0.000 0.276 90 L C -0.920 175.803 176.870 -0.245 0.000 1.006 90 L CA -0.071 54.686 54.840 -0.137 0.000 0.817 90 L CB 1.458 43.447 42.059 -0.115 0.000 1.272 90 L HN 0.302 nan 8.230 nan 0.000 0.421 91 F N 2.741 122.758 119.950 0.112 0.000 2.458 91 F HA 0.508 5.035 4.527 -0.000 0.000 0.336 91 F C 0.611 176.461 175.800 0.084 0.000 1.114 91 F CA -0.466 57.595 58.000 0.101 0.000 0.987 91 F CB 1.606 40.676 39.000 0.116 0.000 1.130 91 F HN 0.104 nan 8.300 nan 0.000 0.458 92 V N 3.856 123.918 119.914 0.246 0.000 3.329 92 V HA 0.207 4.327 4.120 -0.000 0.000 0.317 92 V C 0.229 176.427 176.094 0.174 0.000 1.495 92 V CA -0.357 62.054 62.300 0.186 0.000 1.105 92 V CB -0.519 31.369 31.823 0.109 0.000 0.985 92 V HN 0.549 nan 8.190 nan 0.000 0.475 93 I N 3.009 123.697 120.570 0.197 0.000 2.692 93 I HA 0.188 4.358 4.170 -0.000 0.000 0.284 93 I C -1.999 174.218 176.117 0.166 0.000 1.159 93 I CA -1.380 60.024 61.300 0.173 0.000 1.423 93 I CB 0.579 38.639 38.000 0.099 0.000 1.380 93 I HN 0.061 nan 8.210 nan 0.000 0.580 94 P HA 0.009 nan 4.420 nan 0.000 0.267 94 P C 0.662 177.963 177.300 0.002 0.000 1.200 94 P CA 0.064 63.212 63.100 0.080 0.000 0.772 94 P CB 0.433 32.163 31.700 0.050 0.000 0.855 95 T N 1.332 115.862 114.554 -0.041 0.000 2.624 95 T HA -0.241 4.108 4.350 -0.000 0.000 0.268 95 T C 1.705 176.336 174.700 -0.114 0.000 1.041 95 T CA 1.752 63.822 62.100 -0.050 0.000 1.159 95 T CB -0.563 68.271 68.868 -0.057 0.000 0.863 95 T HN 0.605 nan 8.240 nan 0.000 0.434 96 Q N 0.590 120.217 119.800 -0.289 0.000 2.291 96 Q HA -0.068 4.272 4.340 -0.000 0.000 0.206 96 Q C 1.419 177.189 176.000 -0.383 0.000 0.976 96 Q CA 1.513 57.074 55.803 -0.403 0.000 0.875 96 Q CB -0.692 27.709 28.738 -0.561 0.000 0.927 96 Q HN 0.655 nan 8.270 nan 0.000 0.450 97 F N -0.279 119.714 119.950 0.071 0.000 2.682 97 F HA 0.254 4.780 4.527 -0.001 0.000 0.308 97 F C 1.929 177.788 175.800 0.098 0.000 1.093 97 F CA -0.610 57.442 58.000 0.088 0.000 1.244 97 F CB 0.379 39.440 39.000 0.101 0.000 1.052 97 F HN -0.074 nan 8.300 nan 0.000 0.573 98 L N 0.664 122.007 121.223 0.200 0.000 1.970 98 L HA -0.255 4.084 4.340 -0.000 0.000 0.212 98 L C 2.848 179.863 176.870 0.242 0.000 1.071 98 L CA 1.737 56.688 54.840 0.185 0.000 0.751 98 L CB -0.340 41.799 42.059 0.133 0.000 0.889 98 L HN 0.171 nan 8.230 nan 0.000 0.432 99 R N -0.329 120.293 120.500 0.204 0.000 2.083 99 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 99 R C 2.145 178.528 176.300 0.138 0.000 1.137 99 R CA 1.618 57.844 56.100 0.211 0.000 0.951 99 R CB -0.640 29.783 30.300 0.206 0.000 0.851 99 R HN 0.469 nan 8.270 nan 0.000 0.434 100 G N 0.504 109.393 108.800 0.149 0.000 2.476 100 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.218 100 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.218 100 G C 1.284 176.196 174.900 0.020 0.000 1.164 100 G CA 0.938 46.102 45.100 0.108 0.000 0.768 100 G HN 0.461 nan 8.290 nan 0.000 0.560 101 F N 0.687 120.570 119.950 -0.111 0.000 2.069 101 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 101 F C 2.352 177.860 175.800 -0.487 0.000 1.113 101 F CA 1.630 59.441 58.000 -0.314 0.000 1.214 101 F CB -0.270 38.485 39.000 -0.409 0.000 0.978 101 F HN 0.125 nan 8.300 nan 0.000 0.474 102 F N 0.888 120.582 119.950 -0.426 0.000 2.216 102 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 102 F C 2.382 177.793 175.800 -0.649 0.000 1.085 102 F CA 1.680 59.209 58.000 -0.785 0.000 1.326 102 F CB -0.573 37.489 39.000 -1.564 0.000 1.027 102 F HN 0.049 nan 8.300 nan 0.000 0.497 103 E N 0.176 120.224 120.200 -0.253 0.000 2.028 103 E HA -0.245 4.105 4.350 -0.000 0.000 0.191 103 E C 2.130 178.649 176.600 -0.135 0.000 0.988 103 E CA 1.354 57.702 56.400 -0.087 0.000 0.799 103 E CB -0.157 29.557 29.700 0.024 0.000 0.755 103 E HN 0.303 nan 8.360 nan 0.000 0.447 104 K N -0.067 120.216 120.400 -0.195 0.000 2.186 104 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 104 K C 1.041 177.458 176.600 -0.306 0.000 1.052 104 K CA 1.294 57.464 56.287 -0.195 0.000 0.965 104 K CB 0.394 32.813 32.500 -0.135 0.000 0.746 104 K HN -0.056 nan 8.250 nan 0.000 0.457 105 S N -0.939 114.417 115.700 -0.574 0.000 2.787 105 S HA 0.193 4.662 4.470 -0.000 0.000 0.255 105 S C 0.727 174.838 174.600 -0.815 0.000 1.051 105 S CA -0.198 57.591 58.200 -0.685 0.000 1.124 105 S CB 1.623 64.286 63.200 -0.895 0.000 1.104 105 S HN 0.399 nan 8.310 nan 0.000 0.623 106 G N 1.003 109.344 108.800 -0.764 0.000 3.393 106 G HA2 0.409 4.368 3.960 -0.000 0.000 0.255 106 G HA3 0.409 4.368 3.960 -0.000 0.000 0.255 106 G C 1.083 175.833 174.900 -0.249 0.000 1.097 106 G CA 0.251 45.000 45.100 -0.586 0.000 0.780 106 G HN 0.447 nan 8.290 nan 0.000 0.540 107 G N 1.513 110.203 108.800 -0.183 0.000 2.440 107 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.218 107 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.218 107 G C 1.647 176.523 174.900 -0.040 0.000 1.154 107 G CA 0.906 45.966 45.100 -0.067 0.000 0.767 107 G HN 0.400 nan 8.290 nan 0.000 0.552 108 N N 0.307 118.980 118.700 -0.044 0.000 2.171 108 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 108 N C 2.136 177.603 175.510 -0.071 0.000 1.021 108 N CA 1.019 54.085 53.050 0.025 0.000 0.854 108 N CB -0.429 38.136 38.487 0.129 0.000 0.994 108 N HN 0.257 nan 8.380 nan 0.000 0.426 109 L N 2.133 123.157 121.223 -0.333 0.000 1.997 109 L HA -0.127 4.213 4.340 -0.000 0.000 0.216 109 L C 1.989 178.735 176.870 -0.206 0.000 1.074 109 L CA 1.462 55.866 54.840 -0.726 0.000 0.763 109 L CB -0.986 40.702 42.059 -0.618 0.000 0.890 109 L HN 0.093 nan 8.230 nan 0.000 0.434 110 I N -0.181 120.355 120.570 -0.057 0.000 2.208 110 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 110 I C 2.646 178.791 176.117 0.046 0.000 1.097 110 I CA 1.303 62.635 61.300 0.053 0.000 1.363 110 I CB -0.779 37.280 38.000 0.098 0.000 1.051 110 I HN 0.412 nan 8.210 nan 0.000 0.413 111 A N 0.285 123.133 122.820 0.048 0.000 1.908 111 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 111 A C 2.324 179.984 177.584 0.126 0.000 1.181 111 A CA 1.770 53.853 52.037 0.076 0.000 0.627 111 A CB -1.035 18.011 19.000 0.078 0.000 0.818 111 A HN 0.528 nan 8.150 nan 0.000 0.445 112 Y N 0.763 121.055 120.300 -0.014 0.000 2.089 112 Y HA -0.113 4.437 4.550 -0.000 0.000 0.282 112 Y C 2.694 178.613 175.900 0.030 0.000 1.139 112 Y CA 1.286 59.406 58.100 0.033 0.000 1.123 112 Y CB -1.020 37.470 38.460 0.049 0.000 0.980 112 Y HN 0.304 nan 8.280 nan 0.000 0.493 113 A N 0.628 123.375 122.820 -0.122 0.000 1.892 113 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 113 A C 2.299 179.816 177.584 -0.111 0.000 1.188 113 A CA 2.374 54.291 52.037 -0.200 0.000 0.631 113 A CB -0.695 18.286 19.000 -0.032 0.000 0.822 113 A HN 0.567 nan 8.150 nan 0.000 0.447 114 K N -1.036 119.346 120.400 -0.030 0.000 2.057 114 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 114 K C 2.170 178.762 176.600 -0.013 0.000 1.050 114 K CA 1.333 57.612 56.287 -0.013 0.000 0.935 114 K CB -0.111 32.397 32.500 0.013 0.000 0.715 114 K HN 0.496 nan 8.250 nan 0.000 0.439 115 E N 1.821 122.028 120.200 0.012 0.000 2.023 115 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 115 E C 1.371 177.974 176.600 0.006 0.000 1.003 115 E CA 1.716 58.137 56.400 0.035 0.000 0.809 115 E CB 0.065 29.825 29.700 0.100 0.000 0.755 115 E HN -0.001 nan 8.360 nan 0.000 0.449 116 K N 0.372 120.744 120.400 -0.046 0.000 2.487 116 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 116 K C 0.148 176.686 176.600 -0.103 0.000 1.027 116 K CA 0.322 56.559 56.287 -0.083 0.000 1.054 116 K CB 0.282 32.681 32.500 -0.169 0.000 0.824 116 K HN 0.208 nan 8.250 nan 0.000 0.510 117 Q N -0.004 119.741 119.800 -0.093 0.000 2.475 117 Q HA -0.145 4.195 4.340 -0.000 0.000 0.280 117 Q C -0.611 175.338 176.000 -0.085 0.000 1.234 117 Q CA 0.435 56.198 55.803 -0.067 0.000 0.873 117 Q CB -2.406 26.311 28.738 -0.035 0.000 1.256 117 Q HN 0.102 nan 8.270 nan 0.000 0.475 118 V N 2.588 122.411 119.914 -0.153 0.000 2.485 118 V HA 0.106 4.226 4.120 -0.000 0.000 0.287 118 V C -1.313 174.752 176.094 -0.048 0.000 1.022 118 V CA -0.619 61.602 62.300 -0.132 0.000 1.067 118 V CB 0.440 32.117 31.823 -0.244 0.000 0.967 118 V HN 0.138 nan 8.190 nan 0.000 0.479 119 P HA 0.125 nan 4.420 nan 0.000 0.268 119 P C -0.663 176.662 177.300 0.040 0.000 1.204 119 P CA 0.150 63.259 63.100 0.015 0.000 0.768 119 P CB 0.872 32.579 31.700 0.012 0.000 0.842 120 V N 4.754 124.716 119.914 0.080 0.000 2.513 120 V HA 0.319 4.438 4.120 -0.000 0.000 0.299 120 V C 0.104 176.284 176.094 0.145 0.000 1.035 120 V CA -0.678 61.710 62.300 0.147 0.000 0.889 120 V CB 1.631 33.605 31.823 0.251 0.000 0.988 120 V HN 0.397 nan 8.190 nan 0.000 0.440 121 L N 6.309 127.620 121.223 0.147 0.000 2.316 121 L HA 0.599 4.939 4.340 -0.000 0.000 0.280 121 L C -0.428 176.555 176.870 0.188 0.000 1.006 121 L CA -0.020 54.898 54.840 0.130 0.000 0.836 121 L CB 1.685 43.787 42.059 0.072 0.000 1.221 121 L HN 0.447 nan 8.230 nan 0.000 0.418 122 V N 5.091 125.121 119.914 0.193 0.000 2.461 122 V HA 0.171 4.290 4.120 -0.000 0.000 0.275 122 V C 0.535 176.749 176.094 0.200 0.000 1.047 122 V CA -0.220 62.215 62.300 0.224 0.000 0.955 122 V CB 0.907 32.838 31.823 0.179 0.000 0.988 122 V HN 1.023 nan 8.190 nan 0.000 0.471 123 C N 2.147 121.583 119.300 0.227 0.000 3.491 123 C HA 0.181 4.641 4.460 -0.000 0.000 0.298 123 C C 1.257 176.420 174.990 0.289 0.000 1.424 123 C CA -0.256 58.928 59.018 0.275 0.000 1.772 123 C CB -0.290 27.581 27.740 0.219 0.000 2.447 123 C HN 0.859 nan 8.230 nan 0.000 0.670 124 T N 2.533 117.225 114.554 0.230 0.000 2.907 124 T HA 0.282 4.632 4.350 -0.000 0.000 0.298 124 T C -0.236 174.559 174.700 0.158 0.000 1.017 124 T CA 0.708 62.921 62.100 0.188 0.000 1.118 124 T CB 0.467 69.435 68.868 0.167 0.000 0.948 124 T HN 0.403 nan 8.240 nan 0.000 0.531 125 K N 1.096 121.572 120.400 0.126 0.000 2.468 125 K HA 0.710 5.029 4.320 -0.000 0.000 0.252 125 K C -0.014 176.638 176.600 0.088 0.000 0.932 125 K CA -0.854 55.502 56.287 0.115 0.000 0.794 125 K CB 2.456 35.004 32.500 0.080 0.000 1.241 125 K HN 0.881 nan 8.250 nan 0.000 0.428 126 G N 1.468 110.330 108.800 0.104 0.000 2.362 126 G HA2 0.183 4.143 3.960 -0.000 0.000 0.288 126 G HA3 0.183 4.143 3.960 -0.000 0.000 0.288 126 G C -1.846 172.999 174.900 -0.092 0.000 1.305 126 G CA -1.044 44.068 45.100 0.020 0.000 0.910 126 G HN 0.408 nan 8.290 nan 0.000 0.518 127 I N 0.667 121.115 120.570 -0.203 0.000 2.499 127 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 127 I C 0.070 176.041 176.117 -0.244 0.000 1.048 127 I CA -0.644 60.415 61.300 -0.401 0.000 1.062 127 I CB 2.160 39.876 38.000 -0.473 0.000 1.238 127 I HN 0.693 nan 8.210 nan 0.000 0.426 128 E N 5.773 125.841 120.200 -0.220 0.000 2.324 128 E HA 0.136 4.485 4.350 -0.000 0.000 0.271 128 E C 0.665 177.187 176.600 -0.130 0.000 1.028 128 E CA -0.218 56.101 56.400 -0.135 0.000 0.890 128 E CB 0.840 30.485 29.700 -0.090 0.000 1.004 128 E HN 0.496 nan 8.360 nan 0.000 0.431 129 R N 1.908 122.349 120.500 -0.099 0.000 2.115 129 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 129 R C 2.238 178.496 176.300 -0.070 0.000 1.111 129 R CA 1.523 57.572 56.100 -0.085 0.000 0.976 129 R CB -0.119 30.147 30.300 -0.057 0.000 0.870 129 R HN 0.542 nan 8.270 nan 0.000 0.445 130 S N -0.105 115.562 115.700 -0.054 0.000 2.414 130 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 130 S C 1.915 176.485 174.600 -0.049 0.000 1.022 130 S CA 1.148 59.323 58.200 -0.040 0.000 0.958 130 S CB -0.036 63.152 63.200 -0.020 0.000 0.797 130 S HN 0.413 nan 8.310 nan 0.000 0.493 131 T N -1.064 113.454 114.554 -0.061 0.000 3.010 131 T HA 0.441 4.791 4.350 -0.000 0.000 0.257 131 T C 0.722 175.368 174.700 -0.089 0.000 1.020 131 T CA -0.048 62.014 62.100 -0.063 0.000 0.938 131 T CB -0.549 68.287 68.868 -0.053 0.000 1.049 131 T HN 0.351 nan 8.240 nan 0.000 0.522 132 L N 0.060 121.205 121.223 -0.131 0.000 4.040 132 L HA -0.194 4.146 4.340 -0.000 0.000 0.410 132 L C -0.195 176.533 176.870 -0.237 0.000 1.187 132 L CA 0.630 55.355 54.840 -0.192 0.000 0.956 132 L CB -1.750 40.226 42.059 -0.138 0.000 2.022 132 L HN 0.410 nan 8.230 nan 0.000 0.897 133 K N -0.334 119.942 120.400 -0.206 0.000 2.118 133 K HA 0.689 5.009 4.320 -0.000 0.000 0.254 133 K C -0.196 176.260 176.600 -0.240 0.000 0.961 133 K CA -0.806 55.399 56.287 -0.136 0.000 0.876 133 K CB 1.284 33.761 32.500 -0.039 0.000 1.077 133 K HN -0.175 nan 8.250 nan 0.000 0.440 134 F N 1.334 121.270 119.950 -0.022 0.000 2.380 134 F HA 0.213 4.740 4.527 -0.000 0.000 0.321 134 F C -1.282 174.514 175.800 -0.006 0.000 1.103 134 F CA -2.077 55.915 58.000 -0.013 0.000 1.067 134 F CB 0.283 39.275 39.000 -0.014 0.000 1.265 134 F HN 0.408 nan 8.300 nan 0.000 0.517 135 P HA -0.257 nan 4.420 nan 0.000 0.214 135 P C 1.239 178.590 177.300 0.083 0.000 1.169 135 P CA 2.648 65.816 63.100 0.113 0.000 0.908 135 P CB -0.127 31.649 31.700 0.126 0.000 0.791 136 A N -0.433 122.444 122.820 0.096 0.000 2.019 136 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 136 A C 2.098 179.696 177.584 0.024 0.000 1.164 136 A CA 1.590 53.659 52.037 0.054 0.000 0.644 136 A CB -1.146 17.888 19.000 0.056 0.000 0.805 136 A HN 0.229 nan 8.150 nan 0.000 0.449 137 E N -0.317 119.916 120.200 0.056 0.000 2.072 137 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 137 E C 1.801 178.391 176.600 -0.017 0.000 0.985 137 E CA 1.087 57.503 56.400 0.026 0.000 0.801 137 E CB -0.247 29.498 29.700 0.075 0.000 0.750 137 E HN 0.707 nan 8.360 nan 0.000 0.452 138 I N 1.027 121.597 120.570 0.001 0.000 2.202 138 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 138 I C 2.328 178.419 176.117 -0.044 0.000 1.091 138 I CA 1.045 62.342 61.300 -0.004 0.000 1.368 138 I CB -0.198 37.824 38.000 0.037 0.000 1.058 138 I HN 0.086 nan 8.210 nan 0.000 0.410 139 I N 0.820 121.315 120.570 -0.125 0.000 2.264 139 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 139 I C 2.540 178.516 176.117 -0.236 0.000 1.111 139 I CA 1.577 62.673 61.300 -0.340 0.000 1.382 139 I CB -0.852 36.967 38.000 -0.302 0.000 1.060 139 I HN 0.277 nan 8.210 nan 0.000 0.418 140 G N 0.039 108.757 108.800 -0.137 0.000 2.535 140 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 140 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 140 G C 1.440 176.233 174.900 -0.178 0.000 1.122 140 G CA 0.338 45.368 45.100 -0.118 0.000 0.769 140 G HN 0.450 nan 8.290 nan 0.000 0.549 141 E N -0.948 119.096 120.200 -0.261 0.000 2.371 141 E HA 0.072 4.421 4.350 -0.000 0.000 0.194 141 E C 1.315 177.500 176.600 -0.692 0.000 1.012 141 E CA 0.280 56.398 56.400 -0.471 0.000 0.860 141 E CB 0.039 29.352 29.700 -0.645 0.000 0.811 141 E HN 0.618 nan 8.360 nan 0.000 0.502 142 F N -0.273 119.482 119.950 -0.325 0.000 2.557 142 F HA 0.222 4.749 4.527 -0.000 0.000 0.278 142 F C 0.844 176.497 175.800 -0.245 0.000 1.051 142 F CA -0.069 57.729 58.000 -0.336 0.000 1.357 142 F CB 0.511 39.156 39.000 -0.592 0.000 1.104 142 F HN -0.201 nan 8.300 nan 0.000 0.654 143 L N 1.439 122.622 121.223 -0.067 0.000 2.334 143 L HA 0.472 4.811 4.340 -0.000 0.000 0.273 143 L C -2.459 174.386 176.870 -0.042 0.000 1.013 143 L CA -2.252 52.570 54.840 -0.030 0.000 0.816 143 L CB 1.198 43.260 42.059 0.005 0.000 1.278 143 L HN -0.298 nan 8.230 nan 0.000 0.431 144 P HA 0.099 nan 4.420 nan 0.000 0.271 144 P C 0.327 177.617 177.300 -0.018 0.000 1.220 144 P CA -0.056 63.028 63.100 -0.026 0.000 0.768 144 P CB 1.090 32.779 31.700 -0.017 0.000 0.848 145 S N 4.635 120.321 115.700 -0.025 0.000 2.409 145 S HA -0.161 4.309 4.470 -0.000 0.000 0.237 145 S C -0.673 173.925 174.600 -0.004 0.000 1.060 145 S CA 1.853 60.043 58.200 -0.016 0.000 1.052 145 S CB -1.860 61.326 63.200 -0.022 0.000 0.871 145 S HN 0.566 nan 8.310 nan 0.000 0.465 146 P HA 0.037 nan 4.420 nan 0.000 0.223 146 P C 1.011 178.316 177.300 0.007 0.000 1.151 146 P CA 0.831 63.931 63.100 0.000 0.000 0.787 146 P CB -0.121 31.577 31.700 -0.003 0.000 0.788 147 L N -1.840 119.390 121.223 0.011 0.000 2.591 147 L HA 0.092 4.431 4.340 -0.000 0.000 0.228 147 L C 0.755 177.649 176.870 0.040 0.000 1.133 147 L CA 0.060 54.912 54.840 0.021 0.000 0.880 147 L CB -0.358 41.716 42.059 0.026 0.000 1.033 147 L HN -0.072 nan 8.230 nan 0.000 0.450 148 L N -0.702 120.542 121.223 0.034 0.000 2.275 148 L HA 0.413 4.752 4.340 -0.000 0.000 0.288 148 L C -0.093 176.804 176.870 0.046 0.000 1.046 148 L CA -0.020 54.849 54.840 0.048 0.000 0.805 148 L CB 1.452 43.534 42.059 0.039 0.000 1.193 148 L HN -0.091 nan 8.230 nan 0.000 0.426 149 S N 1.584 117.323 115.700 0.066 0.000 2.627 149 S HA 0.754 5.224 4.470 -0.000 0.000 0.283 149 S C -0.735 173.912 174.600 0.078 0.000 1.127 149 S CA -0.577 57.660 58.200 0.060 0.000 0.863 149 S CB 2.750 65.985 63.200 0.058 0.000 1.121 149 S HN 0.260 nan 8.310 nan 0.000 0.479 150 V N 2.126 122.082 119.914 0.070 0.000 2.735 150 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 150 V C -0.817 175.336 176.094 0.097 0.000 1.061 150 V CA -0.705 61.646 62.300 0.086 0.000 0.913 150 V CB 1.744 33.604 31.823 0.061 0.000 1.005 150 V HN 0.762 nan 8.190 nan 0.000 0.428 151 L N 4.238 125.542 121.223 0.135 0.000 2.305 151 L HA 0.938 5.278 4.340 -0.000 0.000 0.284 151 L C -0.174 176.808 176.870 0.186 0.000 1.013 151 L CA 0.033 54.972 54.840 0.166 0.000 0.819 151 L CB 1.191 43.372 42.059 0.203 0.000 1.227 151 L HN 0.867 nan 8.230 nan 0.000 0.417 152 A N 3.416 126.316 122.820 0.134 0.000 2.589 152 A HA 0.935 5.255 4.320 -0.000 0.000 0.296 152 A C -0.554 177.054 177.584 0.039 0.000 1.062 152 A CA 0.120 52.210 52.037 0.088 0.000 0.686 152 A CB 1.633 20.654 19.000 0.036 0.000 1.282 152 A HN 1.105 nan 8.150 nan 0.000 0.404 153 G N 0.091 108.888 108.800 -0.006 0.000 2.320 153 G HA2 0.536 4.495 3.960 -0.000 0.000 0.297 153 G HA3 0.536 4.495 3.960 -0.000 0.000 0.297 153 G C -3.603 171.239 174.900 -0.096 0.000 1.344 153 G CA -0.561 44.508 45.100 -0.053 0.000 0.851 153 G HN 0.583 nan 8.290 nan 0.000 0.567 154 P HA 0.332 nan 4.420 nan 0.000 0.277 154 P C -0.268 176.936 177.300 -0.160 0.000 1.354 154 P CA -0.088 62.897 63.100 -0.191 0.000 0.891 154 P CB 0.718 32.315 31.700 -0.172 0.000 1.058 155 S N 2.891 118.486 115.700 -0.175 0.000 2.488 155 S HA 0.359 4.829 4.470 -0.000 0.000 0.151 155 S C -0.327 174.314 174.600 0.069 0.000 1.401 155 S CA -0.708 57.502 58.200 0.017 0.000 1.221 155 S CB -0.954 62.384 63.200 0.229 0.000 1.407 155 S HN 0.095 nan 8.310 nan 0.000 0.406 156 F N 1.976 121.962 119.950 0.059 0.000 2.608 156 F HA 0.250 4.777 4.527 -0.000 0.000 0.380 156 F C 1.927 177.810 175.800 0.139 0.000 1.083 156 F CA -0.041 57.993 58.000 0.058 0.000 1.266 156 F CB 0.683 39.716 39.000 0.054 0.000 1.076 156 F HN 0.701 nan 8.300 nan 0.000 0.574 157 A N 4.240 127.282 122.820 0.370 0.000 1.908 157 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 157 A C 2.021 179.748 177.584 0.239 0.000 1.181 157 A CA 1.741 53.985 52.037 0.346 0.000 0.627 157 A CB -0.697 18.492 19.000 0.315 0.000 0.818 157 A HN 0.830 nan 8.150 nan 0.000 0.445 158 I N 0.008 120.689 120.570 0.185 0.000 2.286 158 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 158 I C 2.152 178.349 176.117 0.133 0.000 1.115 158 I CA 2.053 63.426 61.300 0.121 0.000 1.392 158 I CB -0.218 37.817 38.000 0.058 0.000 1.065 158 I HN 0.465 nan 8.210 nan 0.000 0.418 159 E N -0.467 119.843 120.200 0.184 0.000 2.107 159 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 159 E C 2.278 178.989 176.600 0.184 0.000 0.982 159 E CA 1.407 57.916 56.400 0.181 0.000 0.809 159 E CB -0.114 29.725 29.700 0.231 0.000 0.756 159 E HN 0.385 nan 8.360 nan 0.000 0.459 160 V N 1.577 121.625 119.914 0.225 0.000 2.343 160 V HA -0.273 3.846 4.120 -0.000 0.000 0.247 160 V C 2.368 178.526 176.094 0.107 0.000 1.051 160 V CA 1.851 64.281 62.300 0.218 0.000 1.036 160 V CB -0.721 31.276 31.823 0.290 0.000 0.654 160 V HN 0.308 nan 8.190 nan 0.000 0.451 161 A N 0.767 123.648 122.820 0.102 0.000 1.940 161 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 161 A C 2.297 179.909 177.584 0.048 0.000 1.176 161 A CA 2.390 54.460 52.037 0.056 0.000 0.631 161 A CB -0.889 18.153 19.000 0.070 0.000 0.814 161 A HN 0.640 nan 8.150 nan 0.000 0.446 162 T N -4.028 110.567 114.554 0.069 0.000 3.169 162 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 162 T C 1.279 176.023 174.700 0.073 0.000 1.111 162 T CA 0.962 63.099 62.100 0.062 0.000 1.010 162 T CB -0.074 68.831 68.868 0.061 0.000 0.984 162 T HN 1.701 nan 8.240 nan 0.000 0.537 163 G N 0.827 109.678 108.800 0.084 0.000 2.148 163 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.254 163 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.254 163 G C 0.039 175.022 174.900 0.138 0.000 0.981 163 G CA -0.057 45.103 45.100 0.100 0.000 0.670 163 G HN 0.682 nan 8.290 nan 0.000 0.528 164 V N 1.136 121.139 119.914 0.148 0.000 2.614 164 V HA 0.439 4.558 4.120 -0.000 0.000 0.291 164 V C 1.112 177.336 176.094 0.216 0.000 1.049 164 V CA -0.535 61.873 62.300 0.180 0.000 1.038 164 V CB 0.864 32.784 31.823 0.163 0.000 0.980 164 V HN 0.405 nan 8.190 nan 0.000 0.481 165 F N 4.577 124.596 119.950 0.115 0.000 2.460 165 F HA 0.039 4.565 4.527 -0.001 0.000 0.413 165 F C 0.626 176.492 175.800 0.110 0.000 0.967 165 F CA 1.202 59.267 58.000 0.109 0.000 1.122 165 F CB 0.011 39.061 39.000 0.084 0.000 0.927 165 F HN 0.587 nan 8.300 nan 0.000 0.527 166 T N 5.694 119.847 114.554 -0.669 0.000 2.933 166 T HA 0.469 4.819 4.350 -0.000 0.000 0.305 166 T C -1.298 172.978 174.700 -0.706 0.000 1.092 166 T CA -0.620 61.214 62.100 -0.444 0.000 1.008 166 T CB 1.141 69.968 68.868 -0.069 0.000 1.102 166 T HN 0.617 nan 8.240 nan 0.000 0.469 167 C N 3.011 122.059 119.300 -0.420 0.000 2.507 167 C HA 0.951 5.411 4.460 -0.000 0.000 0.319 167 C C 0.010 174.875 174.990 -0.208 0.000 1.208 167 C CA -0.633 58.233 59.018 -0.253 0.000 1.619 167 C CB 0.665 28.436 27.740 0.052 0.000 2.230 167 C HN 0.864 nan 8.230 nan 0.000 0.492 168 V N 0.970 120.786 119.914 -0.163 0.000 3.181 168 V HA 0.977 5.097 4.120 -0.000 0.000 0.308 168 V C -0.376 175.769 176.094 0.086 0.000 1.214 168 V CA -0.476 61.775 62.300 -0.082 0.000 1.053 168 V CB 1.698 33.457 31.823 -0.106 0.000 1.069 168 V HN 0.915 nan 8.190 nan 0.000 0.441 169 S N 1.737 117.476 115.700 0.066 0.000 2.568 169 S HA 0.872 5.342 4.470 -0.000 0.000 0.302 169 S C -0.948 173.708 174.600 0.092 0.000 1.082 169 S CA -0.737 57.530 58.200 0.111 0.000 1.009 169 S CB 1.724 64.962 63.200 0.063 0.000 1.069 169 S HN 0.835 nan 8.310 nan 0.000 0.500 170 I N 1.802 122.429 120.570 0.095 0.000 2.418 170 I HA 0.626 4.795 4.170 -0.000 0.000 0.287 170 I C 0.045 176.199 176.117 0.062 0.000 1.008 170 I CA -0.902 60.446 61.300 0.080 0.000 1.104 170 I CB 1.011 39.055 38.000 0.074 0.000 1.264 170 I HN 0.987 nan 8.210 nan 0.000 0.438 171 A N 4.359 127.209 122.820 0.050 0.000 2.342 171 A HA 0.860 5.180 4.320 -0.000 0.000 0.323 171 A C -0.404 177.196 177.584 0.028 0.000 1.125 171 A CA -0.501 51.555 52.037 0.031 0.000 0.785 171 A CB 1.481 20.489 19.000 0.013 0.000 1.221 171 A HN 0.598 nan 8.150 nan 0.000 0.463 172 S N 0.115 115.827 115.700 0.020 0.000 2.566 172 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 172 S C 0.926 175.530 174.600 0.007 0.000 1.157 172 S CA 0.114 58.323 58.200 0.015 0.000 0.938 172 S CB 1.543 64.755 63.200 0.020 0.000 1.087 172 S HN 1.702 nan 8.310 nan 0.000 0.474 173 A N 2.432 125.252 122.820 0.000 0.000 1.927 173 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 173 A C 0.890 178.475 177.584 0.001 0.000 1.185 173 A CA 1.767 53.801 52.037 -0.004 0.000 0.639 173 A CB -0.411 18.584 19.000 -0.009 0.000 0.820 173 A HN 0.725 nan 8.150 nan 0.000 0.451 174 D N -0.573 119.829 120.400 0.003 0.000 2.411 174 D HA 0.266 4.906 4.640 -0.000 0.000 0.225 174 D C 0.781 177.087 176.300 0.010 0.000 1.156 174 D CA -0.543 53.461 54.000 0.005 0.000 0.874 174 D CB 0.447 41.250 40.800 0.004 0.000 1.034 174 D HN 0.080 nan 8.370 nan 0.000 0.502 175 I N 4.362 124.939 120.570 0.012 0.000 2.300 175 I HA -0.290 3.880 4.170 -0.000 0.000 0.252 175 I C 1.566 177.693 176.117 0.016 0.000 1.119 175 I CA 1.247 62.558 61.300 0.017 0.000 1.384 175 I CB -0.207 37.805 38.000 0.020 0.000 1.062 175 I HN 0.417 nan 8.210 nan 0.000 0.426 176 N N -0.113 118.594 118.700 0.012 0.000 2.223 176 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 176 N C 1.953 177.469 175.510 0.010 0.000 1.016 176 N CA 1.577 54.633 53.050 0.010 0.000 0.863 176 N CB -0.260 38.232 38.487 0.008 0.000 0.983 176 N HN 0.310 nan 8.380 nan 0.000 0.429 177 V N 1.700 121.621 119.914 0.011 0.000 2.358 177 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 177 V C 2.519 178.623 176.094 0.016 0.000 1.047 177 V CA 1.602 63.909 62.300 0.013 0.000 1.035 177 V CB -0.896 30.936 31.823 0.014 0.000 0.658 177 V HN 0.246 nan 8.190 nan 0.000 0.452 178 A N 0.494 123.326 122.820 0.020 0.000 1.883 178 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 178 A C 2.361 179.957 177.584 0.019 0.000 1.186 178 A CA 2.044 54.097 52.037 0.026 0.000 0.624 178 A CB -0.532 18.487 19.000 0.032 0.000 0.822 178 A HN 0.535 nan 8.150 nan 0.000 0.444 179 R N -1.071 119.436 120.500 0.013 0.000 2.105 179 R HA -0.129 4.210 4.340 -0.000 0.000 0.239 179 R C 2.511 178.808 176.300 -0.006 0.000 1.135 179 R CA 1.494 57.595 56.100 0.001 0.000 0.967 179 R CB -0.336 29.964 30.300 0.001 0.000 0.861 179 R HN 0.545 nan 8.270 nan 0.000 0.442 180 R N 0.778 121.278 120.500 -0.000 0.000 2.066 180 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 180 R C 2.213 178.508 176.300 -0.007 0.000 1.131 180 R CA 1.029 57.127 56.100 -0.004 0.000 0.955 180 R CB -0.103 30.197 30.300 0.000 0.000 0.851 180 R HN 0.154 nan 8.270 nan 0.000 0.432 181 L N 1.059 122.284 121.223 0.003 0.000 2.127 181 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 181 L C 2.466 179.338 176.870 0.004 0.000 1.089 181 L CA 1.632 56.477 54.840 0.008 0.000 0.757 181 L CB -0.928 41.146 42.059 0.026 0.000 0.899 181 L HN 0.460 nan 8.230 nan 0.000 0.434 182 Q N -0.032 119.767 119.800 -0.002 0.000 2.061 182 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 182 Q C 2.258 178.234 176.000 -0.041 0.000 0.984 182 Q CA 1.631 57.423 55.803 -0.019 0.000 0.846 182 Q CB 0.070 28.787 28.738 -0.036 0.000 0.902 182 Q HN 0.423 nan 8.270 nan 0.000 0.421 183 R N -0.445 120.027 120.500 -0.047 0.000 2.237 183 R HA -0.037 4.303 4.340 -0.000 0.000 0.219 183 R C 1.961 178.202 176.300 -0.098 0.000 1.080 183 R CA 0.780 56.840 56.100 -0.067 0.000 0.995 183 R CB 0.062 30.333 30.300 -0.048 0.000 0.875 183 R HN 0.334 nan 8.270 nan 0.000 0.462 184 I N -0.527 119.998 120.570 -0.075 0.000 2.556 184 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 184 I C 1.925 177.986 176.117 -0.093 0.000 1.105 184 I CA 0.511 61.751 61.300 -0.099 0.000 1.436 184 I CB -0.008 37.957 38.000 -0.058 0.000 1.139 184 I HN 0.068 nan 8.210 nan 0.000 0.438 185 M N 0.303 119.887 119.600 -0.026 0.000 2.319 185 M HA 0.018 4.497 4.480 -0.000 0.000 0.265 185 M C 0.967 177.333 176.300 0.110 0.000 1.068 185 M CA 0.868 56.186 55.300 0.031 0.000 1.118 185 M CB -1.020 31.661 32.600 0.135 0.000 1.395 185 M HN -0.002 nan 8.290 nan 0.000 0.435 186 S N 1.823 117.557 115.700 0.056 0.000 2.531 186 S HA 0.176 4.646 4.470 -0.000 0.000 0.279 186 S C 0.715 175.317 174.600 0.004 0.000 1.305 186 S CA -0.442 57.794 58.200 0.061 0.000 1.058 186 S CB 0.599 63.775 63.200 -0.041 0.000 0.899 186 S HN 0.498 nan 8.310 nan 0.000 0.493 187 T N 0.639 115.233 114.554 0.066 0.000 2.882 187 T HA 0.408 4.758 4.350 -0.000 0.000 0.287 187 T C 1.568 176.290 174.700 0.038 0.000 1.014 187 T CA -0.440 61.680 62.100 0.033 0.000 1.049 187 T CB 1.063 69.974 68.868 0.072 0.000 1.001 187 T HN 0.530 nan 8.240 nan 0.000 0.525 188 G N 0.978 109.815 108.800 0.061 0.000 2.443 188 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.219 188 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.219 188 G C 1.012 175.969 174.900 0.094 0.000 1.131 188 G CA 0.697 45.862 45.100 0.108 0.000 0.775 188 G HN 0.924 nan 8.290 nan 0.000 0.547 189 D N -0.426 120.030 120.400 0.094 0.000 2.328 189 D HA 0.007 4.647 4.640 -0.000 0.000 0.226 189 D C 0.939 177.311 176.300 0.120 0.000 1.066 189 D CA -0.418 53.640 54.000 0.098 0.000 0.861 189 D CB -0.121 40.737 40.800 0.096 0.000 0.912 189 D HN 0.039 nan 8.370 nan 0.000 0.521 190 R N -0.199 120.370 120.500 0.116 0.000 3.758 190 R HA -0.167 4.173 4.340 -0.000 0.000 0.299 190 R C 1.033 177.478 176.300 0.242 0.000 1.182 190 R CA 1.000 57.190 56.100 0.151 0.000 0.809 190 R CB -3.234 27.161 30.300 0.160 0.000 1.249 190 R HN 0.522 nan 8.270 nan 0.000 0.497 191 S N -1.722 114.094 115.700 0.194 0.000 2.503 191 S HA 0.160 4.630 4.470 -0.000 0.000 0.217 191 S C 0.405 175.038 174.600 0.055 0.000 0.999 191 S CA -0.073 58.252 58.200 0.209 0.000 0.914 191 S CB 0.298 63.611 63.200 0.188 0.000 0.782 191 S HN 0.284 nan 8.310 nan 0.000 0.520 192 F N 2.086 121.971 119.950 -0.108 0.000 2.610 192 F HA 0.605 5.132 4.527 -0.001 0.000 0.355 192 F C -1.259 174.458 175.800 -0.139 0.000 1.140 192 F CA -0.915 56.996 58.000 -0.148 0.000 1.037 192 F CB 1.687 40.639 39.000 -0.080 0.000 1.287 192 F HN -0.147 nan 8.300 nan 0.000 0.457 193 V N 5.173 124.835 119.914 -0.420 0.000 2.417 193 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 193 V C -0.434 175.439 176.094 -0.368 0.000 1.024 193 V CA -0.673 61.437 62.300 -0.317 0.000 0.861 193 V CB 1.332 33.037 31.823 -0.197 0.000 0.985 193 V HN 0.847 nan 8.190 nan 0.000 0.436 194 C N 4.437 123.532 119.300 -0.342 0.000 2.376 194 C HA 0.698 5.157 4.460 -0.000 0.000 0.335 194 C C -0.709 174.094 174.990 -0.312 0.000 1.229 194 C CA -0.938 57.963 59.018 -0.196 0.000 1.867 194 C CB 0.790 28.483 27.740 -0.079 0.000 2.319 194 C HN 0.892 nan 8.230 nan 0.000 0.515 195 W N 1.297 122.555 121.300 -0.069 0.000 2.702 195 W HA 0.634 5.294 4.660 -0.001 0.000 0.331 195 W C -0.011 176.495 176.519 -0.022 0.000 1.049 195 W CA -0.467 56.857 57.345 -0.035 0.000 1.230 195 W CB 0.966 30.406 29.460 -0.033 0.000 1.408 195 W HN 0.856 nan 8.180 nan 0.000 0.492 196 A N 1.874 124.802 122.820 0.180 0.000 2.327 196 A HA 0.750 5.070 4.320 -0.000 0.000 0.283 196 A C -0.172 177.479 177.584 0.112 0.000 1.127 196 A CA -0.031 52.073 52.037 0.111 0.000 0.810 196 A CB 0.999 20.036 19.000 0.062 0.000 1.066 196 A HN 0.559 nan 8.150 nan 0.000 0.492 197 T N -0.841 113.757 114.554 0.073 0.000 2.843 197 T HA 0.495 4.845 4.350 -0.000 0.000 0.302 197 T C 0.869 175.586 174.700 0.029 0.000 1.232 197 T CA 0.345 62.475 62.100 0.050 0.000 1.009 197 T CB 1.283 70.173 68.868 0.037 0.000 1.254 197 T HN 1.083 nan 8.240 nan 0.000 0.504 198 T N -1.010 113.553 114.554 0.016 0.000 3.044 198 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 198 T C 0.630 175.324 174.700 -0.011 0.000 1.081 198 T CA 0.204 62.307 62.100 0.005 0.000 1.040 198 T CB -0.128 68.742 68.868 0.003 0.000 0.962 198 T HN 0.475 nan 8.240 nan 0.000 0.506 199 D N 3.397 123.786 120.400 -0.019 0.000 2.671 199 D HA 0.096 4.736 4.640 -0.000 0.000 0.228 199 D C 1.718 177.984 176.300 -0.057 0.000 1.102 199 D CA 0.319 54.293 54.000 -0.044 0.000 1.044 199 D CB 0.165 40.930 40.800 -0.058 0.000 1.113 199 D HN 0.485 nan 8.370 nan 0.000 0.480 200 T N -2.203 112.322 114.554 -0.049 0.000 2.759 200 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 200 T C 1.972 176.605 174.700 -0.112 0.000 1.042 200 T CA 1.045 63.111 62.100 -0.057 0.000 1.140 200 T CB -0.364 68.483 68.868 -0.035 0.000 0.864 200 T HN 0.116 nan 8.240 nan 0.000 0.455 201 V N 1.987 121.821 119.914 -0.134 0.000 2.358 201 V HA 0.039 4.159 4.120 -0.000 0.000 0.246 201 V C 3.140 179.077 176.094 -0.261 0.000 1.047 201 V CA 1.746 63.912 62.300 -0.224 0.000 1.035 201 V CB -1.512 30.201 31.823 -0.185 0.000 0.658 201 V HN 0.677 nan 8.190 nan 0.000 0.452 202 G N -1.020 107.668 108.800 -0.186 0.000 2.440 202 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 202 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 202 G C 1.738 176.529 174.900 -0.181 0.000 1.154 202 G CA 1.411 46.397 45.100 -0.190 0.000 0.767 202 G HN 0.535 nan 8.290 nan 0.000 0.552 203 C N 0.547 119.763 119.300 -0.140 0.000 2.429 203 C HA -0.006 4.454 4.460 -0.000 0.000 0.277 203 C C 2.800 177.718 174.990 -0.120 0.000 1.262 203 C CA 1.090 60.046 59.018 -0.102 0.000 1.733 203 C CB -0.767 26.942 27.740 -0.052 0.000 2.010 203 C HN 0.585 nan 8.230 nan 0.000 0.483 204 E N 0.332 120.418 120.200 -0.190 0.000 2.107 204 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 204 E C 2.196 178.607 176.600 -0.315 0.000 0.982 204 E CA 1.039 57.310 56.400 -0.214 0.000 0.809 204 E CB -0.224 29.307 29.700 -0.281 0.000 0.756 204 E HN 0.488 nan 8.360 nan 0.000 0.459 205 V N 1.827 121.430 119.914 -0.519 0.000 2.261 205 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 205 V C 2.455 178.496 176.094 -0.088 0.000 1.047 205 V CA 1.988 64.084 62.300 -0.341 0.000 1.015 205 V CB -0.773 30.865 31.823 -0.307 0.000 0.642 205 V HN 0.308 nan 8.190 nan 0.000 0.446 206 A N -0.631 122.119 122.820 -0.116 0.000 1.908 206 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 206 A C 2.471 180.040 177.584 -0.026 0.000 1.181 206 A CA 2.327 54.322 52.037 -0.071 0.000 0.627 206 A CB -0.766 18.175 19.000 -0.098 0.000 0.818 206 A HN 0.505 nan 8.150 nan 0.000 0.445 207 S N -0.600 115.091 115.700 -0.015 0.000 2.399 207 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 207 S C 2.149 176.781 174.600 0.053 0.000 1.022 207 S CA 1.217 59.425 58.200 0.013 0.000 0.983 207 S CB -0.292 62.925 63.200 0.029 0.000 0.803 207 S HN 0.797 nan 8.310 nan 0.000 0.480 208 A N 0.588 123.476 122.820 0.113 0.000 1.887 208 A HA 0.133 4.453 4.320 -0.000 0.000 0.212 208 A C 2.250 179.888 177.584 0.091 0.000 1.198 208 A CA 0.712 52.830 52.037 0.135 0.000 0.628 208 A CB -0.692 18.476 19.000 0.279 0.000 0.847 208 A HN 0.306 nan 8.150 nan 0.000 0.449 209 V N 1.949 121.915 119.914 0.086 0.000 2.407 209 V HA -0.324 3.795 4.120 -0.000 0.000 0.248 209 V C 2.559 178.676 176.094 0.039 0.000 1.055 209 V CA 2.398 64.732 62.300 0.057 0.000 1.049 209 V CB -0.924 30.924 31.823 0.041 0.000 0.662 209 V HN 0.851 nan 8.190 nan 0.000 0.455 210 K N 0.494 120.908 120.400 0.025 0.000 2.160 210 K HA -0.247 4.072 4.320 -0.000 0.000 0.206 210 K C 1.727 178.349 176.600 0.036 0.000 1.047 210 K CA 2.097 58.396 56.287 0.019 0.000 0.930 210 K CB -0.510 31.988 32.500 -0.003 0.000 0.720 210 K HN 0.440 nan 8.250 nan 0.000 0.450 211 N N 0.996 119.721 118.700 0.042 0.000 2.216 211 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 211 N C 1.957 177.503 175.510 0.059 0.000 1.017 211 N CA 1.285 54.367 53.050 0.053 0.000 0.861 211 N CB -0.183 38.335 38.487 0.053 0.000 0.986 211 N HN 0.068 nan 8.380 nan 0.000 0.428 212 V N 2.171 122.119 119.914 0.058 0.000 2.261 212 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 212 V C 2.487 178.613 176.094 0.052 0.000 1.047 212 V CA 1.184 63.522 62.300 0.063 0.000 1.015 212 V CB -0.568 31.293 31.823 0.063 0.000 0.642 212 V HN 0.209 nan 8.190 nan 0.000 0.446 213 L N 0.193 121.444 121.223 0.046 0.000 2.079 213 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 213 L C 2.655 179.551 176.870 0.043 0.000 1.081 213 L CA 1.557 56.422 54.840 0.040 0.000 0.752 213 L CB -0.751 41.329 42.059 0.036 0.000 0.896 213 L HN 0.388 nan 8.230 nan 0.000 0.433 214 A N -0.113 122.743 122.820 0.059 0.000 2.019 214 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 214 A C 2.210 179.818 177.584 0.040 0.000 1.164 214 A CA 1.244 53.335 52.037 0.089 0.000 0.644 214 A CB -0.530 18.547 19.000 0.128 0.000 0.805 214 A HN 0.379 nan 8.150 nan 0.000 0.449 215 I N -0.582 119.999 120.570 0.017 0.000 2.286 215 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 215 I C 2.691 178.758 176.117 -0.083 0.000 1.104 215 I CA 1.014 62.295 61.300 -0.031 0.000 1.397 215 I CB -0.607 37.395 38.000 0.003 0.000 1.072 215 I HN 0.409 nan 8.210 nan 0.000 0.417 216 G N -0.238 108.538 108.800 -0.039 0.000 2.442 216 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 216 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 216 G C 1.771 176.618 174.900 -0.088 0.000 1.141 216 G CA 1.136 46.209 45.100 -0.044 0.000 0.763 216 G HN 0.366 nan 8.290 nan 0.000 0.554 217 S N 0.258 115.909 115.700 -0.082 0.000 2.382 217 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 217 S C 2.470 176.815 174.600 -0.425 0.000 1.027 217 S CA 1.837 59.980 58.200 -0.095 0.000 0.991 217 S CB -0.582 62.669 63.200 0.085 0.000 0.823 217 S HN 0.480 nan 8.310 nan 0.000 0.469 218 G N 0.430 108.794 108.800 -0.727 0.000 2.403 218 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.216 218 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.216 218 G C 1.471 176.057 174.900 -0.523 0.000 1.154 218 G CA 0.801 45.178 45.100 -1.205 0.000 0.784 218 G HN 0.433 nan 8.290 nan 0.000 0.538 219 V N 1.742 121.476 119.914 -0.299 0.000 2.252 219 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 219 V C 3.366 179.380 176.094 -0.133 0.000 1.056 219 V CA 2.274 64.475 62.300 -0.165 0.000 1.022 219 V CB -0.919 30.843 31.823 -0.103 0.000 0.641 219 V HN 0.461 nan 8.190 nan 0.000 0.445 220 A N 0.067 122.816 122.820 -0.119 0.000 1.940 220 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 220 A C 2.198 179.750 177.584 -0.053 0.000 1.176 220 A CA 2.222 54.222 52.037 -0.062 0.000 0.631 220 A CB -0.827 18.155 19.000 -0.030 0.000 0.814 220 A HN 0.652 nan 8.150 nan 0.000 0.446 221 N N 0.132 118.773 118.700 -0.097 0.000 2.142 221 N HA -0.109 4.630 4.740 -0.000 0.000 0.186 221 N C 1.857 177.356 175.510 -0.019 0.000 1.023 221 N CA 1.571 54.613 53.050 -0.013 0.000 0.852 221 N CB -0.434 38.083 38.487 0.050 0.000 0.998 221 N HN 0.363 nan 8.380 nan 0.000 0.424 222 G N 0.418 109.173 108.800 -0.076 0.000 2.534 222 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 222 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 222 G C 1.322 176.206 174.900 -0.027 0.000 1.128 222 G CA 0.035 45.109 45.100 -0.043 0.000 0.784 222 G HN 0.253 nan 8.290 nan 0.000 0.542 223 L N 0.087 121.292 121.223 -0.030 0.000 2.558 223 L HA 0.353 4.693 4.340 -0.000 0.000 0.225 223 L C 2.035 178.903 176.870 -0.004 0.000 1.128 223 L CA 0.951 55.780 54.840 -0.018 0.000 0.868 223 L CB 0.041 42.086 42.059 -0.023 0.000 1.006 223 L HN 0.370 nan 8.230 nan 0.000 0.454 224 G N -1.711 107.091 108.800 0.003 0.000 2.195 224 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.224 224 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.224 224 G C 0.566 175.477 174.900 0.018 0.000 0.990 224 G CA 0.229 45.337 45.100 0.013 0.000 0.639 224 G HN 0.268 nan 8.290 nan 0.000 0.514 225 M N 0.587 120.197 119.600 0.016 0.000 2.167 225 M HA 0.512 4.992 4.480 -0.000 0.000 0.300 225 M C 1.350 177.672 176.300 0.037 0.000 1.171 225 M CA 0.930 56.244 55.300 0.022 0.000 1.171 225 M CB 0.389 32.999 32.600 0.017 0.000 1.396 225 M HN 0.295 nan 8.290 nan 0.000 0.466 226 G N -0.179 108.644 108.800 0.039 0.000 3.217 226 G HA2 0.536 4.496 3.960 -0.000 0.000 0.213 226 G HA3 0.536 4.496 3.960 -0.000 0.000 0.213 226 G C 0.353 175.287 174.900 0.057 0.000 1.294 226 G CA -0.772 44.358 45.100 0.049 0.000 0.987 226 G HN 0.720 nan 8.290 nan 0.000 0.584 227 L N 0.193 121.448 121.223 0.054 0.000 2.201 227 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 227 L C 2.493 179.390 176.870 0.045 0.000 1.105 227 L CA 0.662 55.535 54.840 0.055 0.000 0.775 227 L CB -0.274 41.812 42.059 0.046 0.000 0.913 227 L HN 0.316 nan 8.230 nan 0.000 0.440 228 N N 0.614 119.335 118.700 0.036 0.000 2.142 228 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 228 N C 1.945 177.474 175.510 0.032 0.000 1.023 228 N CA 1.475 54.542 53.050 0.030 0.000 0.852 228 N CB -0.275 38.226 38.487 0.023 0.000 0.998 228 N HN 0.281 nan 8.380 nan 0.000 0.424 229 A N 1.049 123.889 122.820 0.034 0.000 1.933 229 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 229 A C 2.243 179.850 177.584 0.039 0.000 1.175 229 A CA 1.209 53.265 52.037 0.032 0.000 0.628 229 A CB -0.432 18.585 19.000 0.028 0.000 0.814 229 A HN 0.234 nan 8.150 nan 0.000 0.444 230 R N -0.393 120.139 120.500 0.054 0.000 2.075 230 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 230 R C 2.274 178.608 176.300 0.057 0.000 1.126 230 R CA 1.339 57.481 56.100 0.070 0.000 0.963 230 R CB -0.373 29.988 30.300 0.102 0.000 0.858 230 R HN 0.431 nan 8.270 nan 0.000 0.435 231 A N 0.569 123.418 122.820 0.048 0.000 1.933 231 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 231 A C 2.268 179.873 177.584 0.035 0.000 1.175 231 A CA 1.625 53.686 52.037 0.039 0.000 0.628 231 A CB -0.572 18.447 19.000 0.033 0.000 0.814 231 A HN 0.529 nan 8.150 nan 0.000 0.444 232 A N -0.504 122.335 122.820 0.032 0.000 1.968 232 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 232 A C 2.144 179.747 177.584 0.032 0.000 1.169 232 A CA 1.251 53.306 52.037 0.029 0.000 0.638 232 A CB -0.535 18.480 19.000 0.024 0.000 0.812 232 A HN 0.648 nan 8.150 nan 0.000 0.446 233 L N -0.437 120.807 121.223 0.034 0.000 2.046 233 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 233 L C 2.275 179.167 176.870 0.037 0.000 1.077 233 L CA 1.563 56.424 54.840 0.034 0.000 0.747 233 L CB -0.231 41.848 42.059 0.034 0.000 0.896 233 L HN 0.409 nan 8.230 nan 0.000 0.432 234 I N -0.571 120.024 120.570 0.041 0.000 2.179 234 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 234 I C 2.410 178.553 176.117 0.042 0.000 1.088 234 I CA 1.237 62.562 61.300 0.040 0.000 1.357 234 I CB -0.232 37.793 38.000 0.042 0.000 1.051 234 I HN 0.332 nan 8.210 nan 0.000 0.409 235 M N -0.172 119.455 119.600 0.044 0.000 2.175 235 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 235 M C 2.223 178.556 176.300 0.054 0.000 1.063 235 M CA 1.518 56.850 55.300 0.054 0.000 1.119 235 M CB -1.228 31.398 32.600 0.042 0.000 1.377 235 M HN 0.178 nan 8.290 nan 0.000 0.415 236 R N 0.149 120.673 120.500 0.041 0.000 2.119 236 R HA 0.106 4.446 4.340 -0.000 0.000 0.222 236 R C 2.398 178.719 176.300 0.035 0.000 1.088 236 R CA 1.244 57.366 56.100 0.037 0.000 0.984 236 R CB -1.503 28.816 30.300 0.030 0.000 0.884 236 R HN 0.474 nan 8.270 nan 0.000 0.447 237 G N 1.540 110.359 108.800 0.032 0.000 2.418 237 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 237 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 237 G C 1.453 176.360 174.900 0.013 0.000 1.158 237 G CA 0.434 45.549 45.100 0.025 0.000 0.771 237 G HN 0.226 nan 8.290 nan 0.000 0.545 238 L N 0.590 121.824 121.223 0.017 0.000 2.081 238 L HA 0.002 4.341 4.340 -0.000 0.000 0.212 238 L C 2.675 179.530 176.870 -0.025 0.000 1.080 238 L CA 1.328 56.162 54.840 -0.009 0.000 0.754 238 L CB -0.261 41.823 42.059 0.042 0.000 0.893 238 L HN 0.230 nan 8.230 nan 0.000 0.433 239 L N -1.225 120.012 121.223 0.024 0.000 2.201 239 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 239 L C 2.366 179.229 176.870 -0.012 0.000 1.105 239 L CA 1.001 55.853 54.840 0.020 0.000 0.775 239 L CB -0.683 41.404 42.059 0.046 0.000 0.913 239 L HN 0.361 nan 8.230 nan 0.000 0.440 240 E N 0.560 120.756 120.200 -0.008 0.000 2.106 240 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 240 E C 2.307 178.889 176.600 -0.031 0.000 0.984 240 E CA 1.025 57.419 56.400 -0.010 0.000 0.806 240 E CB -0.036 29.668 29.700 0.007 0.000 0.750 240 E HN 0.504 nan 8.360 nan 0.000 0.458 241 I N 0.967 121.507 120.570 -0.050 0.000 2.179 241 I HA -0.271 3.898 4.170 -0.000 0.000 0.242 241 I C 2.800 178.845 176.117 -0.119 0.000 1.088 241 I CA 0.999 62.249 61.300 -0.082 0.000 1.357 241 I CB -0.236 37.702 38.000 -0.104 0.000 1.051 241 I HN 0.041 nan 8.210 nan 0.000 0.409 242 R N 1.054 121.468 120.500 -0.143 0.000 2.083 242 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 242 R C 1.801 178.043 176.300 -0.096 0.000 1.137 242 R CA 2.229 58.231 56.100 -0.162 0.000 0.951 242 R CB -0.219 29.990 30.300 -0.152 0.000 0.851 242 R HN 0.295 nan 8.270 nan 0.000 0.434 243 D N 0.663 121.028 120.400 -0.059 0.000 2.144 243 D HA -0.157 4.482 4.640 -0.000 0.000 0.200 243 D C 1.830 178.105 176.300 -0.042 0.000 0.978 243 D CA 0.790 54.765 54.000 -0.041 0.000 0.833 243 D CB -0.237 40.548 40.800 -0.024 0.000 0.961 243 D HN 0.206 nan 8.370 nan 0.000 0.470 244 L N 0.739 121.938 121.223 -0.041 0.000 2.093 244 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 244 L C 2.029 178.866 176.870 -0.055 0.000 1.085 244 L CA 1.583 56.405 54.840 -0.029 0.000 0.755 244 L CB -0.812 41.245 42.059 -0.004 0.000 0.904 244 L HN -0.086 nan 8.230 nan 0.000 0.435 245 T N -0.029 114.470 114.554 -0.091 0.000 2.720 245 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 245 T C 1.926 176.573 174.700 -0.089 0.000 1.037 245 T CA 1.421 63.449 62.100 -0.121 0.000 1.144 245 T CB -0.538 68.240 68.868 -0.151 0.000 0.864 245 T HN 0.542 nan 8.240 nan 0.000 0.444 246 A N 1.440 124.218 122.820 -0.071 0.000 1.902 246 A HA 0.143 4.462 4.320 -0.000 0.000 0.217 246 A C 2.648 180.207 177.584 -0.042 0.000 1.181 246 A CA 1.837 53.843 52.037 -0.053 0.000 0.623 246 A CB -1.098 17.877 19.000 -0.042 0.000 0.818 246 A HN 0.512 nan 8.150 nan 0.000 0.443 247 A N -0.555 122.243 122.820 -0.037 0.000 1.972 247 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 247 A C 1.961 179.532 177.584 -0.021 0.000 1.169 247 A CA 1.373 53.395 52.037 -0.025 0.000 0.635 247 A CB -0.478 18.511 19.000 -0.018 0.000 0.810 247 A HN 0.465 nan 8.150 nan 0.000 0.446 248 L N -1.278 119.927 121.223 -0.029 0.000 2.599 248 L HA 0.172 4.511 4.340 -0.000 0.000 0.230 248 L C 1.595 178.442 176.870 -0.038 0.000 1.141 248 L CA 0.531 55.357 54.840 -0.024 0.000 0.877 248 L CB -0.123 41.910 42.059 -0.043 0.000 1.009 248 L HN 0.607 nan 8.230 nan 0.000 0.447 249 G N -0.222 108.552 108.800 -0.042 0.000 2.141 249 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.242 249 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.242 249 G C 0.530 175.398 174.900 -0.053 0.000 0.982 249 G CA -0.145 44.931 45.100 -0.041 0.000 0.662 249 G HN 0.501 nan 8.290 nan 0.000 0.527 250 G N -0.042 108.714 108.800 -0.073 0.000 2.539 250 G HA2 0.501 4.461 3.960 -0.000 0.000 0.258 250 G HA3 0.501 4.461 3.960 -0.000 0.000 0.258 250 G C 0.688 175.549 174.900 -0.066 0.000 1.202 250 G CA 0.556 45.607 45.100 -0.082 0.000 0.851 250 G HN 0.547 nan 8.290 nan 0.000 0.556 251 D N -1.790 118.574 120.400 -0.059 0.000 2.347 251 D HA 0.171 4.811 4.640 -0.000 0.000 0.213 251 D C 1.776 178.046 176.300 -0.051 0.000 0.985 251 D CA 0.868 54.841 54.000 -0.044 0.000 0.879 251 D CB -0.016 40.766 40.800 -0.030 0.000 0.919 251 D HN 0.971 nan 8.370 nan 0.000 0.526 252 G N 0.222 108.976 108.800 -0.077 0.000 2.184 252 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.264 252 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.264 252 G C 1.289 176.131 174.900 -0.095 0.000 0.975 252 G CA 1.022 46.058 45.100 -0.106 0.000 0.642 252 G HN 0.773 nan 8.290 nan 0.000 0.536 253 S N -0.380 115.290 115.700 -0.050 0.000 2.528 253 S HA 0.312 4.782 4.470 -0.000 0.000 0.244 253 S C 2.182 176.755 174.600 -0.044 0.000 0.982 253 S CA 1.389 59.575 58.200 -0.023 0.000 0.953 253 S CB -0.106 63.093 63.200 -0.000 0.000 0.754 253 S HN 1.747 nan 8.310 nan 0.000 0.529 254 A N 0.712 123.480 122.820 -0.087 0.000 2.220 254 A HA 0.459 4.779 4.320 -0.000 0.000 0.211 254 A C 2.032 179.522 177.584 -0.157 0.000 1.176 254 A CA 0.389 52.370 52.037 -0.095 0.000 0.834 254 A CB -0.407 18.541 19.000 -0.088 0.000 0.868 254 A HN 0.385 nan 8.150 nan 0.000 0.488 255 V N -0.856 118.900 119.914 -0.264 0.000 2.282 255 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 255 V C 1.782 177.575 176.094 -0.501 0.000 1.057 255 V CA 2.052 64.065 62.300 -0.477 0.000 1.032 255 V CB -0.958 30.392 31.823 -0.788 0.000 0.645 255 V HN 0.654 nan 8.190 nan 0.000 0.447 256 F N 0.068 119.980 119.950 -0.064 0.000 2.645 256 F HA 0.472 4.999 4.527 -0.000 0.000 0.300 256 F C 1.316 177.065 175.800 -0.085 0.000 1.115 256 F CA 0.124 58.083 58.000 -0.068 0.000 1.355 256 F CB -0.139 38.823 39.000 -0.064 0.000 1.026 256 F HN 0.191 nan 8.300 nan 0.000 0.536 257 G N -0.238 108.557 108.800 -0.007 0.000 2.857 257 G HA2 0.366 4.326 3.960 -0.000 0.000 0.217 257 G HA3 0.366 4.326 3.960 -0.000 0.000 0.217 257 G C 0.769 175.610 174.900 -0.097 0.000 1.357 257 G CA -0.584 44.479 45.100 -0.063 0.000 1.033 257 G HN 0.081 nan 8.290 nan 0.000 0.571 258 L N 0.191 121.327 121.223 -0.145 0.000 2.083 258 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 258 L C 3.195 180.006 176.870 -0.099 0.000 1.083 258 L CA 1.549 56.307 54.840 -0.138 0.000 0.752 258 L CB -0.293 41.662 42.059 -0.173 0.000 0.899 258 L HN 0.538 nan 8.230 nan 0.000 0.433 259 A N -0.454 122.317 122.820 -0.082 0.000 2.014 259 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 259 A C 2.126 179.658 177.584 -0.086 0.000 1.163 259 A CA 1.394 53.389 52.037 -0.071 0.000 0.652 259 A CB -0.641 18.324 19.000 -0.057 0.000 0.808 259 A HN 0.429 nan 8.150 nan 0.000 0.449 260 G N -0.832 107.907 108.800 -0.102 0.000 2.571 260 G HA2 0.311 4.271 3.960 -0.000 0.000 0.225 260 G HA3 0.311 4.271 3.960 -0.000 0.000 0.225 260 G C 1.629 176.477 174.900 -0.087 0.000 1.731 260 G CA 0.911 45.940 45.100 -0.119 0.000 0.858 260 G HN 0.889 nan 8.290 nan 0.000 0.611 261 L N 1.118 122.302 121.223 -0.065 0.000 1.990 261 L HA 0.157 4.496 4.340 -0.000 0.000 0.213 261 L C 3.081 179.930 176.870 -0.035 0.000 1.072 261 L CA 3.161 57.992 54.840 -0.014 0.000 0.755 261 L CB -1.940 40.159 42.059 0.066 0.000 0.889 261 L HN 0.482 nan 8.230 nan 0.000 0.432 262 G N -0.872 107.895 108.800 -0.056 0.000 2.491 262 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.218 262 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.218 262 G C 1.491 176.335 174.900 -0.094 0.000 1.180 262 G CA 1.149 46.204 45.100 -0.075 0.000 0.774 262 G HN 0.636 nan 8.290 nan 0.000 0.562 263 D N -0.299 120.040 120.400 -0.101 0.000 2.178 263 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 263 D C 2.415 178.652 176.300 -0.105 0.000 0.974 263 D CA 0.370 54.293 54.000 -0.127 0.000 0.841 263 D CB -0.214 40.517 40.800 -0.116 0.000 0.953 263 D HN 0.193 nan 8.370 nan 0.000 0.478 264 L N 0.828 122.010 121.223 -0.068 0.000 2.046 264 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 264 L C 2.288 179.145 176.870 -0.022 0.000 1.077 264 L CA 2.051 56.869 54.840 -0.037 0.000 0.747 264 L CB -0.959 41.086 42.059 -0.024 0.000 0.896 264 L HN 0.056 nan 8.230 nan 0.000 0.432 265 Q N -0.478 119.306 119.800 -0.026 0.000 2.084 265 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 265 Q C 2.093 178.078 176.000 -0.025 0.000 0.978 265 Q CA 2.470 58.267 55.803 -0.010 0.000 0.844 265 Q CB -1.153 27.582 28.738 -0.006 0.000 0.898 265 Q HN 0.521 nan 8.270 nan 0.000 0.426 266 L N 0.431 121.600 121.223 -0.089 0.000 2.056 266 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 266 L C 1.942 178.743 176.870 -0.116 0.000 1.078 266 L CA 2.253 56.996 54.840 -0.161 0.000 0.749 266 L CB -0.700 41.133 42.059 -0.376 0.000 0.901 266 L HN 0.341 nan 8.230 nan 0.000 0.433 267 T N -1.704 112.794 114.554 -0.094 0.000 2.857 267 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 267 T C 1.891 176.650 174.700 0.099 0.000 1.048 267 T CA 1.480 63.583 62.100 0.004 0.000 1.139 267 T CB -0.630 68.231 68.868 -0.012 0.000 0.874 267 T HN 0.451 nan 8.240 nan 0.000 0.455 268 C N 1.685 121.038 119.300 0.089 0.000 2.448 268 C HA 0.075 4.534 4.460 -0.000 0.000 0.280 268 C C 2.606 177.724 174.990 0.213 0.000 1.398 268 C CA 0.435 59.548 59.018 0.158 0.000 1.774 268 C CB -1.048 26.757 27.740 0.109 0.000 1.888 268 C HN 0.464 nan 8.230 nan 0.000 0.519 269 S N -0.280 115.494 115.700 0.124 0.000 2.577 269 S HA 0.026 4.496 4.470 -0.000 0.000 0.219 269 S C 0.765 175.358 174.600 -0.012 0.000 0.962 269 S CA 0.070 58.308 58.200 0.063 0.000 0.921 269 S CB -0.005 63.230 63.200 0.057 0.000 0.789 269 S HN 0.552 nan 8.310 nan 0.000 0.497 270 S N 2.135 117.874 115.700 0.066 0.000 3.036 270 S HA 0.165 4.634 4.470 -0.000 0.000 0.301 270 S C 1.003 175.448 174.600 -0.259 0.000 1.205 270 S CA -0.573 57.661 58.200 0.057 0.000 0.999 270 S CB -0.015 63.385 63.200 0.334 0.000 1.337 270 S HN 0.372 nan 8.310 nan 0.000 0.515 271 E N 3.213 123.086 120.200 -0.545 0.000 2.160 271 E HA -0.129 4.220 4.350 -0.000 0.000 0.195 271 E C 1.104 177.439 176.600 -0.443 0.000 0.991 271 E CA 1.132 56.936 56.400 -0.992 0.000 0.810 271 E CB -0.069 29.185 29.700 -0.744 0.000 0.742 271 E HN 0.708 nan 8.360 nan 0.000 0.466 272 L N 1.130 122.224 121.223 -0.215 0.000 2.592 272 L HA 0.064 4.404 4.340 -0.000 0.000 0.227 272 L C 1.117 177.989 176.870 0.004 0.000 1.127 272 L CA -0.443 54.350 54.840 -0.078 0.000 0.884 272 L CB 0.046 42.052 42.059 -0.089 0.000 1.065 272 L HN -0.011 nan 8.230 nan 0.000 0.457 273 S N -0.207 115.513 115.700 0.033 0.000 2.573 273 S HA -0.018 4.452 4.470 -0.000 0.000 0.277 273 S C 1.216 175.905 174.600 0.150 0.000 1.346 273 S CA -0.349 57.914 58.200 0.105 0.000 1.034 273 S CB 1.150 64.442 63.200 0.153 0.000 0.879 273 S HN 0.311 nan 8.310 nan 0.000 0.528 274 R N 1.746 122.318 120.500 0.119 0.000 2.115 274 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 274 R C 1.684 178.053 176.300 0.114 0.000 1.111 274 R CA 1.496 57.660 56.100 0.107 0.000 0.976 274 R CB -0.389 29.962 30.300 0.084 0.000 0.870 274 R HN 0.759 nan 8.270 nan 0.000 0.445 275 N N 0.226 119.003 118.700 0.128 0.000 2.084 275 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 275 N C 1.515 177.092 175.510 0.112 0.000 1.030 275 N CA 1.408 54.523 53.050 0.107 0.000 0.849 275 N CB -0.457 38.102 38.487 0.119 0.000 1.012 275 N HN 0.180 nan 8.380 nan 0.000 0.423 276 F N 1.909 121.883 119.950 0.040 0.000 2.075 276 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 276 F C 2.734 178.549 175.800 0.026 0.000 1.113 276 F CA 2.107 60.128 58.000 0.035 0.000 1.218 276 F CB -0.644 38.382 39.000 0.043 0.000 0.984 276 F HN 0.127 nan 8.300 nan 0.000 0.472 277 T N -2.148 112.581 114.554 0.292 0.000 2.788 277 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 277 T C 1.972 176.704 174.700 0.053 0.000 1.044 277 T CA 1.591 63.796 62.100 0.175 0.000 1.139 277 T CB -1.237 67.720 68.868 0.148 0.000 0.867 277 T HN 0.131 nan 8.240 nan 0.000 0.454 278 V N 1.899 121.835 119.914 0.036 0.000 2.343 278 V HA 0.020 4.139 4.120 -0.000 0.000 0.247 278 V C 3.107 179.171 176.094 -0.050 0.000 1.051 278 V CA 1.870 64.167 62.300 -0.004 0.000 1.036 278 V CB -1.420 30.405 31.823 0.003 0.000 0.654 278 V HN 0.710 nan 8.190 nan 0.000 0.451 279 G N -0.443 108.302 108.800 -0.092 0.000 2.408 279 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 279 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 279 G C 1.616 176.408 174.900 -0.180 0.000 1.150 279 G CA 0.989 45.998 45.100 -0.151 0.000 0.776 279 G HN 0.520 nan 8.290 nan 0.000 0.542 280 K N 0.633 120.904 120.400 -0.214 0.000 2.057 280 K HA -0.079 4.240 4.320 -0.000 0.000 0.207 280 K C 2.390 178.949 176.600 -0.069 0.000 1.049 280 K CA 1.365 57.560 56.287 -0.154 0.000 0.931 280 K CB -0.180 32.267 32.500 -0.088 0.000 0.714 280 K HN 0.220 nan 8.250 nan 0.000 0.440 281 K N 0.611 120.984 120.400 -0.045 0.000 2.026 281 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 281 K C 2.168 178.743 176.600 -0.042 0.000 1.048 281 K CA 1.639 57.908 56.287 -0.030 0.000 0.929 281 K CB -0.175 32.314 32.500 -0.019 0.000 0.713 281 K HN 0.126 nan 8.250 nan 0.000 0.439 282 L N 0.083 121.273 121.223 -0.055 0.000 2.042 282 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 282 L C 2.537 179.374 176.870 -0.055 0.000 1.076 282 L CA 1.458 56.264 54.840 -0.058 0.000 0.749 282 L CB -0.807 41.211 42.059 -0.068 0.000 0.893 282 L HN 0.391 nan 8.230 nan 0.000 0.432 283 G N -0.173 108.588 108.800 -0.065 0.000 2.422 283 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 283 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 283 G C 1.542 176.418 174.900 -0.040 0.000 1.146 283 G CA 0.395 45.460 45.100 -0.059 0.000 0.769 283 G HN 0.310 nan 8.290 nan 0.000 0.547 284 K N 0.196 120.575 120.400 -0.035 0.000 2.551 284 K HA 0.242 4.561 4.320 -0.000 0.000 0.192 284 K C 1.647 178.235 176.600 -0.021 0.000 1.027 284 K CA 0.374 56.648 56.287 -0.021 0.000 1.059 284 K CB 0.050 32.542 32.500 -0.012 0.000 0.831 284 K HN 0.364 nan 8.250 nan 0.000 0.508 285 G N 1.008 109.791 108.800 -0.027 0.000 2.217 285 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 285 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 285 G C 0.139 175.021 174.900 -0.029 0.000 0.990 285 G CA -0.350 44.734 45.100 -0.027 0.000 0.627 285 G HN 0.185 nan 8.290 nan 0.000 0.522 286 L N 2.664 123.870 121.223 -0.029 0.000 2.453 286 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 286 L C -1.353 175.493 176.870 -0.040 0.000 1.182 286 L CA -1.452 53.370 54.840 -0.030 0.000 0.858 286 L CB 0.439 42.482 42.059 -0.026 0.000 1.120 286 L HN 0.064 nan 8.230 nan 0.000 0.474 287 P HA 0.088 nan 4.420 nan 0.000 0.277 287 P C 0.691 177.954 177.300 -0.061 0.000 1.240 287 P CA -0.521 62.547 63.100 -0.053 0.000 0.798 287 P CB 1.262 32.933 31.700 -0.047 0.000 0.979 288 I N 1.773 122.293 120.570 -0.084 0.000 2.194 288 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 288 I C 1.738 177.807 176.117 -0.079 0.000 1.093 288 I CA 2.017 63.258 61.300 -0.098 0.000 1.355 288 I CB -0.668 37.239 38.000 -0.155 0.000 1.046 288 I HN 0.301 nan 8.210 nan 0.000 0.413 289 E N 0.283 120.441 120.200 -0.071 0.000 2.038 289 E HA -0.303 4.047 4.350 -0.000 0.000 0.195 289 E C 2.086 178.664 176.600 -0.037 0.000 1.000 289 E CA 1.685 58.053 56.400 -0.052 0.000 0.803 289 E CB -0.507 29.167 29.700 -0.044 0.000 0.750 289 E HN 0.632 nan 8.360 nan 0.000 0.448 290 E N 0.996 121.175 120.200 -0.034 0.000 2.077 290 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 290 E C 1.867 178.454 176.600 -0.022 0.000 0.989 290 E CA 1.206 57.592 56.400 -0.024 0.000 0.800 290 E CB -0.355 29.331 29.700 -0.022 0.000 0.746 290 E HN 0.365 nan 8.360 nan 0.000 0.452 291 I N 0.250 120.802 120.570 -0.030 0.000 2.315 291 I HA -0.265 3.904 4.170 -0.000 0.000 0.248 291 I C 2.581 178.685 176.117 -0.021 0.000 1.117 291 I CA 1.269 62.554 61.300 -0.025 0.000 1.404 291 I CB -0.316 37.663 38.000 -0.034 0.000 1.071 291 I HN 0.244 nan 8.210 nan 0.000 0.419 292 Q N 0.507 120.288 119.800 -0.031 0.000 2.046 292 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 292 Q C 1.048 177.041 176.000 -0.011 0.000 0.975 292 Q CA 0.887 56.675 55.803 -0.024 0.000 0.836 292 Q CB -0.001 28.714 28.738 -0.038 0.000 0.896 292 Q HN 0.460 nan 8.270 nan 0.000 0.428 298 V N 1.241 121.191 119.914 0.060 0.000 2.583 298 V HA 0.534 4.653 4.120 -0.000 0.000 0.287 298 V C 1.054 177.179 176.094 0.052 0.000 1.051 298 V CA 0.442 62.769 62.300 0.046 0.000 1.010 298 V CB 1.348 33.196 31.823 0.041 0.000 0.988 298 V HN 1.702 nan 8.190 nan 0.000 0.478 299 A N 4.142 126.989 122.820 0.045 0.000 2.401 299 A HA 0.310 4.630 4.320 -0.000 0.000 0.259 299 A C 1.176 178.794 177.584 0.056 0.000 1.103 299 A CA -0.295 51.775 52.037 0.054 0.000 0.789 299 A CB 0.216 19.245 19.000 0.049 0.000 1.035 299 A HN 0.887 nan 8.150 nan 0.000 0.491 300 E N 2.579 122.814 120.200 0.059 0.000 2.130 300 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 300 E C 2.085 178.721 176.600 0.061 0.000 0.998 300 E CA 1.762 58.194 56.400 0.053 0.000 0.806 300 E CB -0.378 29.352 29.700 0.050 0.000 0.738 300 E HN 0.878 nan 8.360 nan 0.000 0.459 301 G N 0.340 109.180 108.800 0.067 0.000 2.422 301 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 301 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 301 G C 1.838 176.802 174.900 0.107 0.000 1.140 301 G CA 0.661 45.807 45.100 0.077 0.000 0.775 301 G HN 0.185 nan 8.290 nan 0.000 0.545 302 V N 1.455 121.426 119.914 0.096 0.000 2.307 302 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 302 V C 3.314 179.539 176.094 0.218 0.000 1.045 302 V CA 2.051 64.429 62.300 0.131 0.000 1.024 302 V CB -0.755 31.090 31.823 0.035 0.000 0.651 302 V HN 0.453 nan 8.190 nan 0.000 0.449 303 A N -0.294 122.608 122.820 0.135 0.000 1.902 303 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 303 A C 2.366 180.013 177.584 0.105 0.000 1.181 303 A CA 2.521 54.634 52.037 0.127 0.000 0.623 303 A CB -0.973 18.061 19.000 0.056 0.000 0.818 303 A HN 0.515 nan 8.150 nan 0.000 0.443 304 T N 0.280 114.878 114.554 0.072 0.000 2.915 304 T HA 0.082 4.432 4.350 -0.000 0.000 0.269 304 T C 2.147 176.859 174.700 0.019 0.000 1.071 304 T CA 1.131 63.246 62.100 0.026 0.000 1.132 304 T CB -0.383 68.502 68.868 0.029 0.000 0.878 304 T HN 0.597 nan 8.240 nan 0.000 0.479 305 A N 2.003 124.880 122.820 0.095 0.000 1.917 305 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 305 A C 2.232 179.739 177.584 -0.129 0.000 1.182 305 A CA 2.035 54.119 52.037 0.079 0.000 0.633 305 A CB -0.716 18.448 19.000 0.274 0.000 0.819 305 A HN 0.582 nan 8.150 nan 0.000 0.448 306 D N -0.787 119.458 120.400 -0.258 0.000 2.103 306 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 306 D C -0.644 175.463 176.300 -0.322 0.000 0.978 306 D CA 1.446 55.165 54.000 -0.469 0.000 0.829 306 D CB -0.658 39.831 40.800 -0.518 0.000 0.981 306 D HN 0.303 nan 8.370 nan 0.000 0.464 307 P HA -0.097 nan 4.420 nan 0.000 0.218 307 P C 2.021 179.208 177.300 -0.189 0.000 1.149 307 P CA 0.556 63.548 63.100 -0.180 0.000 0.817 307 P CB -0.139 31.465 31.700 -0.159 0.000 0.785 308 L N -0.552 120.572 121.223 -0.166 0.000 2.012 308 L HA -0.131 4.208 4.340 -0.000 0.000 0.210 308 L C 2.396 179.177 176.870 -0.148 0.000 1.073 308 L CA 2.038 56.806 54.840 -0.120 0.000 0.748 308 L CB -1.346 40.678 42.059 -0.058 0.000 0.891 308 L HN -0.121 nan 8.230 nan 0.000 0.431 309 M N -0.413 119.035 119.600 -0.254 0.000 2.117 309 M HA -0.211 4.268 4.480 -0.000 0.000 0.262 309 M C 2.332 178.479 176.300 -0.256 0.000 1.065 309 M CA 1.794 56.901 55.300 -0.323 0.000 1.114 309 M CB -0.664 31.491 32.600 -0.742 0.000 1.361 309 M HN 0.359 nan 8.290 nan 0.000 0.408 310 R N -0.168 120.181 120.500 -0.252 0.000 2.092 310 R HA -0.125 4.214 4.340 -0.000 0.000 0.231 310 R C 2.232 178.459 176.300 -0.121 0.000 1.119 310 R CA 1.235 57.231 56.100 -0.174 0.000 0.970 310 R CB -0.746 29.461 30.300 -0.156 0.000 0.864 310 R HN 0.328 nan 8.270 nan 0.000 0.440 311 L N 1.182 122.334 121.223 -0.117 0.000 2.017 311 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 311 L C 2.319 179.160 176.870 -0.049 0.000 1.073 311 L CA 1.919 56.715 54.840 -0.074 0.000 0.745 311 L CB -0.768 41.251 42.059 -0.066 0.000 0.894 311 L HN 0.133 nan 8.230 nan 0.000 0.432 312 A N -0.510 122.277 122.820 -0.055 0.000 1.883 312 A HA -0.302 4.017 4.320 -0.000 0.000 0.217 312 A C 2.473 180.027 177.584 -0.051 0.000 1.186 312 A CA 2.180 54.191 52.037 -0.042 0.000 0.624 312 A CB -0.695 18.279 19.000 -0.043 0.000 0.822 312 A HN 0.520 nan 8.150 nan 0.000 0.444 313 K N -0.767 119.591 120.400 -0.070 0.000 2.026 313 K HA -0.229 4.090 4.320 -0.000 0.000 0.208 313 K C 2.312 178.881 176.600 -0.052 0.000 1.048 313 K CA 1.803 58.051 56.287 -0.065 0.000 0.929 313 K CB -0.226 32.228 32.500 -0.077 0.000 0.713 313 K HN 0.592 nan 8.250 nan 0.000 0.439 314 Q N 0.072 119.841 119.800 -0.051 0.000 2.181 314 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 314 Q C 1.665 177.646 176.000 -0.031 0.000 0.980 314 Q CA 1.201 56.980 55.803 -0.040 0.000 0.862 314 Q CB 0.135 28.848 28.738 -0.041 0.000 0.905 314 Q HN 0.377 nan 8.270 nan 0.000 0.429 315 L N -0.143 121.063 121.223 -0.028 0.000 2.607 315 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 315 L C -0.126 176.729 176.870 -0.025 0.000 1.123 315 L CA -0.040 54.788 54.840 -0.021 0.000 0.890 315 L CB 0.383 42.435 42.059 -0.011 0.000 1.103 315 L HN 0.074 nan 8.230 nan 0.000 0.468 316 K N 0.109 120.490 120.400 -0.032 0.000 3.125 316 K HA -0.120 4.200 4.320 -0.000 0.000 0.268 316 K C -0.701 175.878 176.600 -0.034 0.000 1.078 316 K CA 0.270 56.536 56.287 -0.035 0.000 0.775 316 K CB -2.513 29.969 32.500 -0.030 0.000 1.253 316 K HN 0.062 nan 8.250 nan 0.000 0.486 317 V N 1.184 121.078 119.914 -0.034 0.000 2.370 317 V HA 0.208 4.328 4.120 -0.000 0.000 0.283 317 V C 0.733 176.805 176.094 -0.036 0.000 1.023 317 V CA -0.704 61.578 62.300 -0.030 0.000 0.857 317 V CB 1.558 33.368 31.823 -0.021 0.000 0.985 317 V HN 0.139 nan 8.190 nan 0.000 0.443 318 K N 5.530 125.908 120.400 -0.037 0.000 2.249 318 K HA 0.585 4.905 4.320 -0.000 0.000 0.280 318 K C -0.421 176.166 176.600 -0.022 0.000 1.033 318 K CA 0.021 56.281 56.287 -0.045 0.000 0.946 318 K CB 0.790 33.262 32.500 -0.046 0.000 1.005 318 K HN 0.572 nan 8.250 nan 0.000 0.469 319 M N 4.335 123.930 119.600 -0.008 0.000 1.962 319 M HA 0.162 4.642 4.480 -0.000 0.000 0.227 319 M C -2.177 174.160 176.300 0.062 0.000 0.890 319 M CA -1.786 53.528 55.300 0.024 0.000 0.843 319 M CB 1.563 34.180 32.600 0.028 0.000 1.894 319 M HN 0.253 nan 8.290 nan 0.000 0.359 320 P HA -0.181 nan 4.420 nan 0.000 0.215 320 P C 1.372 178.737 177.300 0.109 0.000 1.163 320 P CA 1.619 64.761 63.100 0.071 0.000 0.894 320 P CB 0.247 31.971 31.700 0.041 0.000 0.791 321 L N -1.425 119.844 121.223 0.077 0.000 2.027 321 L HA -0.188 4.151 4.340 -0.000 0.000 0.206 321 L C 2.765 179.685 176.870 0.084 0.000 1.074 321 L CA 1.593 56.475 54.840 0.069 0.000 0.745 321 L CB -1.237 40.850 42.059 0.047 0.000 0.898 321 L HN 0.045 nan 8.230 nan 0.000 0.433 322 C N -1.190 118.163 119.300 0.087 0.000 2.413 322 C HA -0.220 4.239 4.460 -0.000 0.000 0.277 322 C C 2.784 177.852 174.990 0.131 0.000 1.265 322 C CA 1.069 60.141 59.018 0.091 0.000 1.752 322 C CB -1.135 26.645 27.740 0.067 0.000 1.998 322 C HN 0.573 nan 8.230 nan 0.000 0.489 323 H N 0.726 119.832 119.070 0.060 0.000 2.321 323 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 323 H C 2.336 177.753 175.328 0.148 0.000 1.087 323 H CA 1.824 57.929 56.048 0.095 0.000 1.319 323 H CB -0.135 29.659 29.762 0.052 0.000 1.379 323 H HN 0.344 nan 8.280 nan 0.000 0.501 324 Q N 0.104 119.942 119.800 0.062 0.000 2.119 324 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 324 Q C 2.705 178.690 176.000 -0.025 0.000 0.972 324 Q CA 1.276 57.074 55.803 -0.008 0.000 0.847 324 Q CB -0.128 28.643 28.738 0.054 0.000 0.903 324 Q HN 0.594 nan 8.270 nan 0.000 0.433 325 I N -0.118 120.469 120.570 0.027 0.000 2.226 325 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 325 I C 2.301 178.458 176.117 0.066 0.000 1.100 325 I CA 1.182 62.503 61.300 0.036 0.000 1.374 325 I CB -0.373 37.660 38.000 0.055 0.000 1.057 325 I HN 0.120 nan 8.210 nan 0.000 0.413 326 Y N 1.923 122.194 120.300 -0.048 0.000 2.224 326 Y HA -0.222 4.328 4.550 -0.000 0.000 0.289 326 Y C 2.444 178.345 175.900 0.002 0.000 1.146 326 Y CA 1.523 59.614 58.100 -0.015 0.000 1.182 326 Y CB -0.167 38.201 38.460 -0.154 0.000 0.983 326 Y HN 0.120 nan 8.280 nan 0.000 0.524 327 E N 0.375 120.397 120.200 -0.297 0.000 2.106 327 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 327 E C 2.344 178.809 176.600 -0.225 0.000 0.984 327 E CA 1.548 57.741 56.400 -0.345 0.000 0.806 327 E CB -0.245 29.317 29.700 -0.229 0.000 0.750 327 E HN 0.602 nan 8.360 nan 0.000 0.458 328 I N 0.573 121.059 120.570 -0.140 0.000 2.252 328 I HA -0.209 3.960 4.170 -0.000 0.000 0.245 328 I C 2.412 178.454 176.117 -0.125 0.000 1.102 328 I CA 0.678 61.915 61.300 -0.105 0.000 1.385 328 I CB -0.126 37.833 38.000 -0.068 0.000 1.064 328 I HN -0.070 nan 8.210 nan 0.000 0.414 329 V N -0.291 119.556 119.914 -0.111 0.000 2.407 329 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 329 V C 2.049 177.939 176.094 -0.340 0.000 1.041 329 V CA 1.792 63.997 62.300 -0.158 0.000 1.040 329 V CB -0.491 31.314 31.823 -0.030 0.000 0.671 329 V HN 0.294 nan 8.190 nan 0.000 0.455 330 Y N 0.013 120.075 120.300 -0.397 0.000 2.301 330 Y HA 0.151 4.701 4.550 -0.000 0.000 0.295 330 Y C 1.878 177.590 175.900 -0.313 0.000 1.126 330 Y CA 0.629 58.480 58.100 -0.415 0.000 1.154 330 Y CB 0.217 38.205 38.460 -0.787 0.000 1.075 330 Y HN 0.057 nan 8.280 nan 0.000 0.534 331 K N 0.812 121.084 120.400 -0.212 0.000 2.681 331 K HA 0.168 4.488 4.320 -0.000 0.000 0.211 331 K C -0.099 176.440 176.600 -0.102 0.000 1.075 331 K CA 0.016 56.224 56.287 -0.131 0.000 1.141 331 K CB 0.226 32.652 32.500 -0.124 0.000 0.896 331 K HN 0.277 nan 8.250 nan 0.000 0.470 332 K N 0.543 120.877 120.400 -0.110 0.000 3.274 332 K HA -0.232 4.088 4.320 -0.000 0.000 0.305 332 K C 0.147 176.706 176.600 -0.068 0.000 1.225 332 K CA 0.872 57.109 56.287 -0.084 0.000 0.904 332 K CB -1.010 31.453 32.500 -0.063 0.000 1.227 332 K HN 0.256 nan 8.250 nan 0.000 0.453 333 K N 2.351 122.706 120.400 -0.076 0.000 2.484 333 K HA -0.041 4.279 4.320 -0.000 0.000 0.280 333 K C 0.217 176.789 176.600 -0.046 0.000 1.013 333 K CA 0.045 56.299 56.287 -0.055 0.000 1.029 333 K CB 0.368 32.834 32.500 -0.055 0.000 0.902 333 K HN 0.118 nan 8.250 nan 0.000 0.481 334 N N 5.444 124.124 118.700 -0.032 0.000 2.483 334 N HA 0.001 4.741 4.740 -0.000 0.000 0.264 334 N C -1.879 173.615 175.510 -0.025 0.000 1.197 334 N CA -1.395 51.639 53.050 -0.028 0.000 0.927 334 N CB 1.109 39.585 38.487 -0.019 0.000 1.065 334 N HN 0.389 nan 8.380 nan 0.000 0.461 335 P HA -0.105 nan 4.420 nan 0.000 0.216 335 P C 1.155 178.445 177.300 -0.016 0.000 1.150 335 P CA 1.289 64.374 63.100 -0.026 0.000 0.837 335 P CB 0.232 31.912 31.700 -0.034 0.000 0.786 336 R N -0.455 120.037 120.500 -0.013 0.000 2.115 336 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 336 R C 1.777 178.076 176.300 -0.002 0.000 1.111 336 R CA 1.401 57.497 56.100 -0.007 0.000 0.976 336 R CB -0.421 29.875 30.300 -0.007 0.000 0.870 336 R HN 0.100 nan 8.270 nan 0.000 0.445 337 D N -0.059 120.339 120.400 -0.003 0.000 2.149 337 D HA -0.082 4.557 4.640 -0.000 0.000 0.201 337 D C 1.679 177.985 176.300 0.009 0.000 0.972 337 D CA 1.364 55.366 54.000 0.003 0.000 0.835 337 D CB -0.211 40.589 40.800 0.001 0.000 0.966 337 D HN 0.275 nan 8.370 nan 0.000 0.476 338 A N 1.171 123.994 122.820 0.004 0.000 1.902 338 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 338 A C 2.235 179.831 177.584 0.020 0.000 1.181 338 A CA 0.797 52.842 52.037 0.013 0.000 0.623 338 A CB -0.828 18.171 19.000 -0.001 0.000 0.818 338 A HN 0.260 nan 8.150 nan 0.000 0.443 339 L N -0.786 120.443 121.223 0.010 0.000 2.083 339 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 339 L C 2.835 179.715 176.870 0.015 0.000 1.083 339 L CA 1.621 56.468 54.840 0.012 0.000 0.752 339 L CB -0.521 41.540 42.059 0.005 0.000 0.899 339 L HN 0.449 nan 8.230 nan 0.000 0.433 340 A N -0.412 122.416 122.820 0.014 0.000 1.898 340 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 340 A C 1.818 179.413 177.584 0.019 0.000 1.181 340 A CA 1.781 53.827 52.037 0.014 0.000 0.620 340 A CB -0.538 18.469 19.000 0.011 0.000 0.819 340 A HN 0.450 nan 8.150 nan 0.000 0.442 341 D N -0.066 120.350 120.400 0.026 0.000 2.117 341 D HA -0.124 4.515 4.640 -0.000 0.000 0.197 341 D C 1.909 178.232 176.300 0.037 0.000 0.987 341 D CA 0.693 54.714 54.000 0.034 0.000 0.829 341 D CB -0.358 40.471 40.800 0.050 0.000 0.961 341 D HN 0.347 nan 8.370 nan 0.000 0.460 342 L N 0.345 121.592 121.223 0.040 0.000 2.046 342 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 342 L C 2.026 178.912 176.870 0.027 0.000 1.077 342 L CA 1.002 55.865 54.840 0.039 0.000 0.747 342 L CB -0.201 41.880 42.059 0.037 0.000 0.896 342 L HN 0.080 nan 8.230 nan 0.000 0.432 343 L N -0.577 120.659 121.223 0.022 0.000 2.610 343 L HA -0.063 4.277 4.340 -0.000 0.000 0.232 343 L C 2.432 179.310 176.870 0.014 0.000 1.149 343 L CA 0.546 55.396 54.840 0.016 0.000 0.872 343 L CB -0.383 41.684 42.059 0.014 0.000 0.992 343 L HN 0.301 nan 8.230 nan 0.000 0.447 344 S N -0.652 115.057 115.700 0.016 0.000 2.555 344 S HA -0.151 4.319 4.470 -0.000 0.000 0.230 344 S C 2.066 176.672 174.600 0.010 0.000 0.978 344 S CA 0.536 58.743 58.200 0.013 0.000 0.934 344 S CB -0.959 62.249 63.200 0.014 0.000 0.766 344 S HN 0.643 nan 8.310 nan 0.000 0.533 345 C N 0.143 119.448 119.300 0.010 0.000 2.422 345 C HA 0.513 4.973 4.460 -0.000 0.000 0.286 345 C C 1.810 176.803 174.990 0.005 0.000 1.412 345 C CA -0.672 58.350 59.018 0.006 0.000 1.786 345 C CB -2.196 25.548 27.740 0.007 0.000 1.835 345 C HN 1.070 nan 8.230 nan 0.000 0.533 346 G N 0.307 109.111 108.800 0.005 0.000 2.582 346 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.222 346 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.222 346 G C -0.866 174.036 174.900 0.004 0.000 1.311 346 G CA -0.325 44.778 45.100 0.004 0.000 0.915 346 G HN 0.630 nan 8.290 nan 0.000 0.528 347 L N 1.205 122.429 121.223 0.003 0.000 2.307 347 L HA 0.644 4.984 4.340 -0.000 0.000 0.282 347 L C 0.782 177.653 176.870 0.002 0.000 1.051 347 L CA -0.588 54.254 54.840 0.003 0.000 0.804 347 L CB 1.385 43.445 42.059 0.002 0.000 1.197 347 L HN 0.774 nan 8.230 nan 0.000 0.431 348 Q N 1.137 120.938 119.800 0.002 0.000 2.626 348 Q HA 0.446 4.786 4.340 -0.000 0.000 0.300 348 Q C -1.776 174.223 176.000 -0.000 0.000 0.988 348 Q CA -1.172 54.632 55.803 0.001 0.000 0.761 348 Q CB 1.830 30.569 28.738 0.001 0.000 1.494 348 Q HN 0.382 nan 8.270 nan 0.000 0.439 349 D N 0.970 121.369 120.400 -0.002 0.000 2.313 349 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 349 D C 0.615 176.914 176.300 -0.003 0.000 1.094 349 D CA -0.115 53.883 54.000 -0.003 0.000 0.925 349 D CB 1.136 41.933 40.800 -0.005 0.000 1.188 349 D HN 0.640 nan 8.370 nan 0.000 0.430 350 E N 0.887 121.084 120.200 -0.005 0.000 2.171 350 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 350 E C 0.905 177.504 176.600 -0.001 0.000 0.997 350 E CA 1.223 57.620 56.400 -0.004 0.000 0.810 350 E CB -0.061 29.632 29.700 -0.011 0.000 0.738 350 E HN 0.787 nan 8.360 nan 0.000 0.467 351 G N -0.248 108.549 108.800 -0.004 0.000 2.131 351 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.223 351 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.223 351 G C -0.162 174.740 174.900 0.003 0.000 0.990 351 G CA 0.233 45.334 45.100 0.001 0.000 0.671 351 G HN 0.188 nan 8.290 nan 0.000 0.521 352 L N 1.769 122.983 121.223 -0.014 0.000 2.333 352 L HA 0.546 4.885 4.340 -0.000 0.000 0.280 352 L C -1.375 175.465 176.870 -0.050 0.000 1.004 352 L CA -2.037 52.785 54.840 -0.030 0.000 0.820 352 L CB 1.735 43.756 42.059 -0.065 0.000 1.247 352 L HN 0.017 nan 8.230 nan 0.000 0.416 353 P HA 0.351 nan 4.420 nan 0.000 0.274 353 P C -2.598 174.637 177.300 -0.109 0.000 1.246 353 P CA -1.113 61.948 63.100 -0.064 0.000 0.795 353 P CB -0.371 31.299 31.700 -0.052 0.000 1.006 354 P HA 0.225 nan 4.420 nan 0.000 0.274 354 P C 0.593 177.738 177.300 -0.257 0.000 1.231 354 P CA -0.273 62.737 63.100 -0.151 0.000 0.790 354 P CB 0.917 32.566 31.700 -0.086 0.000 0.951 355 L N -0.306 120.620 121.223 -0.496 0.000 2.202 355 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 355 L C 0.297 176.685 176.870 -0.803 0.000 1.083 355 L CA 0.858 55.197 54.840 -0.835 0.000 0.790 355 L CB -0.191 40.913 42.059 -1.592 0.000 0.942 355 L HN 0.244 nan 8.230 nan 0.000 0.452 356 F N -0.308 119.628 119.950 -0.024 0.000 2.507 356 F HA 0.473 5.000 4.527 -0.000 0.000 0.325 356 F C 0.268 176.059 175.800 -0.015 0.000 1.116 356 F CA -1.409 56.581 58.000 -0.017 0.000 0.930 356 F CB 1.092 40.081 39.000 -0.019 0.000 1.146 356 F HN -0.337 nan 8.300 nan 0.000 0.447 357 K N 0.000 120.496 120.400 0.160 0.000 2.780 357 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 357 K CA 0.000 56.338 56.287 0.085 0.000 0.838 357 K CB 0.000 32.530 32.500 0.050 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543