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 2f9r_1_D DATA FIRST_RESID 1 DATA SEQUENCE ADNRRPIWNL AHMVNAVAQI PDFLDLGANA LEADVTFKGS VPTYTYHGTP DATA SEQUENCE cDFGRDcIRW EYFNVFLKTL REYTTPGNAK YRDGFILFVL DLKTGSLSND DATA SEQUENCE QVRPAGENVA KELLQNYWNN GNNGGRAYVV LSLPDIGHYE FVRGFKEVLK DATA SEQUENCE KEGHEDLLEK VGYDFSGPYL PSLPTLDATH EAYKKAGVDG HIWLSDGLTN DATA SEQUENCE FSPLGDMARL KEAIKSRDSA NGFINKIYYW SVDKVSTTKA ALDVGVDGIM DATA SEQUENCE TNYPNVLIGV LKESGYNDKY RLATYDDNPW ETFKN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.600 177.584 0.027 0.000 1.274 1 A CA 0.000 52.050 52.037 0.022 0.000 0.836 1 A CB 0.000 19.012 19.000 0.019 0.000 0.831 2 D N 1.305 121.730 120.400 0.040 0.000 2.280 2 D HA 0.299 4.938 4.640 -0.000 0.000 0.236 2 D C 0.081 176.435 176.300 0.090 0.000 1.082 2 D CA -0.283 53.746 54.000 0.049 0.000 0.834 2 D CB 0.834 41.658 40.800 0.039 0.000 1.100 2 D HN 0.334 nan 8.370 nan 0.000 0.486 3 N N 3.209 121.954 118.700 0.076 0.000 2.463 3 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 3 N C 0.235 175.866 175.510 0.202 0.000 1.078 3 N CA 0.188 53.306 53.050 0.112 0.000 0.902 3 N CB 0.298 38.812 38.487 0.045 0.000 0.970 3 N HN 0.287 nan 8.380 nan 0.000 0.451 4 R N 0.865 121.428 120.500 0.106 0.000 2.428 4 R HA 0.290 4.630 4.340 -0.000 0.000 0.294 4 R C 0.132 176.257 176.300 -0.291 0.000 1.000 4 R CA -0.831 55.243 56.100 -0.044 0.000 0.960 4 R CB 1.788 32.039 30.300 -0.081 0.000 1.076 4 R HN 0.040 nan 8.270 nan 0.000 0.475 5 R N 3.409 123.499 120.500 -0.684 0.000 2.458 5 R HA 0.080 4.420 4.340 -0.000 0.000 0.303 5 R C -2.165 173.874 176.300 -0.435 0.000 1.013 5 R CA -1.206 54.187 56.100 -1.178 0.000 1.026 5 R CB 0.382 30.209 30.300 -0.789 0.000 0.948 5 R HN 0.294 nan 8.270 nan 0.000 0.417 6 P HA 0.095 nan 4.420 nan 0.000 0.276 6 P C -0.736 176.474 177.300 -0.150 0.000 1.235 6 P CA -0.040 62.925 63.100 -0.225 0.000 0.772 6 P CB 0.690 32.269 31.700 -0.202 0.000 0.871 7 I N 3.104 123.548 120.570 -0.210 0.000 2.404 7 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 7 I C 0.173 176.208 176.117 -0.137 0.000 0.992 7 I CA -0.830 60.439 61.300 -0.052 0.000 1.149 7 I CB 1.113 39.089 38.000 -0.039 0.000 1.315 7 I HN 0.297 nan 8.210 nan 0.000 0.446 8 W N 5.186 126.473 121.300 -0.021 0.000 2.358 8 W HA 0.160 4.820 4.660 -0.000 0.000 0.307 8 W C 0.482 177.033 176.519 0.054 0.000 1.203 8 W CA -0.421 56.959 57.345 0.059 0.000 1.279 8 W CB 1.095 30.658 29.460 0.172 0.000 1.264 8 W HN 0.470 nan 8.180 nan 0.000 0.474 9 N N 4.775 123.561 118.700 0.143 0.000 2.645 9 N HA 0.223 4.963 4.740 -0.000 0.000 0.233 9 N C -1.185 174.402 175.510 0.128 0.000 1.058 9 N CA -0.098 53.013 53.050 0.102 0.000 0.942 9 N CB 0.124 38.634 38.487 0.039 0.000 1.210 9 N HN 0.284 nan 8.380 nan 0.000 0.512 10 L N 2.314 123.618 121.223 0.135 0.000 2.255 10 L HA 0.484 4.823 4.340 -0.000 0.000 0.289 10 L C 0.710 177.580 176.870 0.000 0.000 1.046 10 L CA -0.785 54.118 54.840 0.104 0.000 0.816 10 L CB 1.116 43.249 42.059 0.124 0.000 1.197 10 L HN 0.408 nan 8.230 nan 0.000 0.427 11 A N 3.450 126.238 122.820 -0.054 0.000 2.491 11 A HA 0.058 4.378 4.320 -0.000 0.000 0.261 11 A C 0.041 177.438 177.584 -0.311 0.000 1.101 11 A CA -0.111 51.789 52.037 -0.228 0.000 0.772 11 A CB -0.323 18.447 19.000 -0.383 0.000 1.043 11 A HN 0.792 nan 8.150 nan 0.000 0.501 12 H N 3.193 122.020 119.070 -0.404 0.000 2.610 12 H HA 0.245 4.801 4.556 -0.000 0.000 0.336 12 H C 0.542 175.648 175.328 -0.370 0.000 1.087 12 H CA 0.243 56.095 56.048 -0.327 0.000 1.405 12 H CB 0.306 29.928 29.762 -0.234 0.000 1.460 12 H HN 0.856 nan 8.280 nan 0.000 0.538 13 M N 4.318 123.534 119.600 -0.639 0.000 2.350 13 M HA -0.200 4.279 4.480 -0.000 0.000 0.190 13 M C -1.664 174.381 176.300 -0.425 0.000 0.710 13 M CA 0.192 55.135 55.300 -0.595 0.000 0.495 13 M CB -0.848 31.183 32.600 -0.948 0.000 1.136 13 M HN 0.253 nan 8.290 nan 0.000 0.901 14 V N 3.209 122.919 119.914 -0.341 0.000 2.270 14 V HA 0.237 4.356 4.120 -0.000 0.000 0.263 14 V C 0.748 176.831 176.094 -0.018 0.000 1.066 14 V CA -0.300 61.859 62.300 -0.235 0.000 0.857 14 V CB 0.967 32.616 31.823 -0.291 0.000 1.099 14 V HN 0.595 nan 8.190 nan 0.000 0.476 15 N N 2.469 121.155 118.700 -0.023 0.000 2.227 15 N HA 0.247 4.987 4.740 -0.000 0.000 0.196 15 N C 0.593 176.165 175.510 0.103 0.000 1.142 15 N CA 0.255 53.246 53.050 -0.099 0.000 0.887 15 N CB 1.293 39.751 38.487 -0.048 0.000 1.022 15 N HN 0.643 nan 8.380 nan 0.000 0.500 16 A N 0.577 123.507 122.820 0.184 0.000 2.312 16 A HA 0.447 4.767 4.320 -0.000 0.000 0.326 16 A C 1.503 179.212 177.584 0.208 0.000 1.172 16 A CA -0.628 51.496 52.037 0.146 0.000 0.821 16 A CB 0.873 19.890 19.000 0.029 0.000 1.166 16 A HN -0.023 nan 8.150 nan 0.000 0.493 17 V N 0.094 120.080 119.914 0.120 0.000 2.515 17 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 17 V C 2.170 178.250 176.094 -0.023 0.000 1.058 17 V CA 2.283 64.572 62.300 -0.018 0.000 1.064 17 V CB -1.496 30.297 31.823 -0.050 0.000 0.675 17 V HN 1.043 nan 8.190 nan 0.000 0.461 18 A N -0.119 122.700 122.820 -0.002 0.000 2.019 18 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 18 A C 2.219 179.804 177.584 0.003 0.000 1.164 18 A CA 1.937 53.974 52.037 -0.001 0.000 0.644 18 A CB -0.553 18.442 19.000 -0.009 0.000 0.805 18 A HN 0.698 nan 8.150 nan 0.000 0.449 19 Q N -0.797 119.032 119.800 0.049 0.000 2.311 19 Q HA 0.040 4.380 4.340 -0.000 0.000 0.203 19 Q C 1.795 177.874 176.000 0.131 0.000 0.954 19 Q CA 0.738 56.629 55.803 0.147 0.000 0.885 19 Q CB -0.202 28.711 28.738 0.291 0.000 0.963 19 Q HN 0.753 nan 8.270 nan 0.000 0.471 20 I N 1.807 122.333 120.570 -0.073 0.000 2.099 20 I HA -0.245 3.925 4.170 -0.000 0.000 0.239 20 I C -0.666 175.226 176.117 -0.375 0.000 1.066 20 I CA 1.300 62.410 61.300 -0.316 0.000 1.324 20 I CB -1.246 36.374 38.000 -0.633 0.000 1.037 20 I HN 0.171 nan 8.210 nan 0.000 0.401 21 P HA -0.116 nan 4.420 nan 0.000 0.219 21 P C 0.733 177.957 177.300 -0.126 0.000 1.150 21 P CA 1.509 64.471 63.100 -0.230 0.000 0.814 21 P CB -0.083 31.610 31.700 -0.012 0.000 0.787 22 D N -0.250 120.085 120.400 -0.109 0.000 2.104 22 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 22 D C 1.830 178.001 176.300 -0.215 0.000 0.994 22 D CA 1.174 55.076 54.000 -0.163 0.000 0.830 22 D CB -1.013 39.658 40.800 -0.215 0.000 0.959 22 D HN 0.174 nan 8.370 nan 0.000 0.452 23 F N 0.399 120.261 119.950 -0.147 0.000 2.206 23 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 23 F C 2.330 178.029 175.800 -0.167 0.000 1.090 23 F CA 0.443 58.358 58.000 -0.143 0.000 1.323 23 F CB -0.338 38.565 39.000 -0.161 0.000 1.028 23 F HN -0.080 nan 8.300 nan 0.000 0.492 24 L N -0.386 120.799 121.223 -0.064 0.000 2.046 24 L HA -0.242 4.097 4.340 -0.000 0.000 0.208 24 L C 1.995 178.824 176.870 -0.069 0.000 1.077 24 L CA 1.239 55.999 54.840 -0.133 0.000 0.747 24 L CB -0.707 41.208 42.059 -0.241 0.000 0.896 24 L HN 0.048 nan 8.230 nan 0.000 0.432 25 D N 0.204 120.562 120.400 -0.069 0.000 2.178 25 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 25 D C 2.306 178.578 176.300 -0.047 0.000 0.980 25 D CA 1.112 55.080 54.000 -0.053 0.000 0.842 25 D CB -0.127 40.637 40.800 -0.061 0.000 0.948 25 D HN 0.300 nan 8.370 nan 0.000 0.472 26 L N -0.796 120.395 121.223 -0.053 0.000 2.362 26 L HA 0.046 4.386 4.340 -0.000 0.000 0.219 26 L C 1.624 178.496 176.870 0.004 0.000 1.134 26 L CA 0.890 55.713 54.840 -0.028 0.000 0.807 26 L CB -0.074 41.966 42.059 -0.032 0.000 0.927 26 L HN 0.209 nan 8.230 nan 0.000 0.447 27 G N -1.029 107.772 108.800 0.000 0.000 2.205 27 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.180 27 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.180 27 G C 0.332 175.236 174.900 0.007 0.000 1.004 27 G CA -0.249 44.852 45.100 0.001 0.000 0.670 27 G HN 0.409 nan 8.290 nan 0.000 0.496 28 A N 0.716 123.548 122.820 0.020 0.000 2.511 28 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 28 A C 1.246 178.832 177.584 0.002 0.000 1.069 28 A CA 0.979 53.029 52.037 0.021 0.000 0.763 28 A CB 0.178 19.191 19.000 0.021 0.000 1.001 28 A HN 1.058 nan 8.150 nan 0.000 0.498 29 N N 0.695 119.419 118.700 0.041 0.000 2.236 29 N HA 0.412 5.152 4.740 -0.000 0.000 0.196 29 N C -0.177 175.500 175.510 0.279 0.000 1.114 29 N CA 0.617 53.727 53.050 0.100 0.000 0.859 29 N CB 0.301 38.778 38.487 -0.018 0.000 0.982 29 N HN 0.844 nan 8.380 nan 0.000 0.493 30 A N 0.282 123.239 122.820 0.229 0.000 2.612 30 A HA 0.688 5.008 4.320 -0.000 0.000 0.293 30 A C -1.614 176.072 177.584 0.170 0.000 1.075 30 A CA -0.918 51.343 52.037 0.374 0.000 0.680 30 A CB 1.228 20.491 19.000 0.438 0.000 1.279 30 A HN 0.255 nan 8.150 nan 0.000 0.411 31 L N -0.875 120.504 121.223 0.260 0.000 2.376 31 L HA 0.869 5.209 4.340 -0.000 0.000 0.258 31 L C -1.133 175.846 176.870 0.182 0.000 1.013 31 L CA -0.472 54.418 54.840 0.085 0.000 0.822 31 L CB 2.145 44.161 42.059 -0.072 0.000 1.388 31 L HN 0.892 nan 8.230 nan 0.000 0.413 32 E N 1.963 122.201 120.200 0.063 0.000 2.199 32 E HA 0.740 5.090 4.350 -0.000 0.000 0.269 32 E C -1.749 174.891 176.600 0.067 0.000 0.899 32 E CA -0.550 55.921 56.400 0.119 0.000 0.772 32 E CB 2.322 32.067 29.700 0.075 0.000 1.155 32 E HN 0.901 nan 8.360 nan 0.000 0.408 33 A N 4.102 126.991 122.820 0.116 0.000 2.386 33 A HA 0.469 4.789 4.320 -0.000 0.000 0.311 33 A C -1.014 176.581 177.584 0.018 0.000 1.068 33 A CA -0.821 51.191 52.037 -0.042 0.000 0.743 33 A CB 1.068 19.909 19.000 -0.265 0.000 1.258 33 A HN 0.622 nan 8.150 nan 0.000 0.429 34 D N 1.979 122.363 120.400 -0.026 0.000 2.317 34 D HA 0.372 5.012 4.640 -0.000 0.000 0.234 34 D C -0.645 175.639 176.300 -0.026 0.000 1.112 34 D CA 0.059 54.069 54.000 0.018 0.000 0.840 34 D CB 1.797 42.607 40.800 0.017 0.000 1.078 34 D HN 0.146 nan 8.370 nan 0.000 0.486 35 V N 2.943 122.834 119.914 -0.038 0.000 2.333 35 V HA 0.182 4.302 4.120 -0.000 0.000 0.274 35 V C 0.985 177.007 176.094 -0.119 0.000 1.028 35 V CA -0.621 61.554 62.300 -0.207 0.000 0.851 35 V CB 1.055 32.624 31.823 -0.423 0.000 1.000 35 V HN 0.598 nan 8.190 nan 0.000 0.456 36 T N 2.069 116.561 114.554 -0.104 0.000 2.882 36 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 36 T C -0.735 173.851 174.700 -0.191 0.000 1.014 36 T CA -0.251 61.870 62.100 0.036 0.000 1.049 36 T CB 0.919 69.890 68.868 0.172 0.000 1.001 36 T HN 0.214 nan 8.240 nan 0.000 0.525 37 F N 0.266 120.198 119.950 -0.029 0.000 2.551 37 F HA 0.534 5.061 4.527 -0.000 0.000 0.316 37 F C 0.306 176.092 175.800 -0.024 0.000 1.089 37 F CA -1.125 56.850 58.000 -0.040 0.000 0.915 37 F CB 2.559 41.543 39.000 -0.027 0.000 1.186 37 F HN 0.584 nan 8.300 nan 0.000 0.456 38 K N 2.717 123.184 120.400 0.111 0.000 2.389 38 K HA 0.577 4.897 4.320 -0.000 0.000 0.261 38 K C 0.580 177.241 176.600 0.101 0.000 1.014 38 K CA 0.172 56.506 56.287 0.078 0.000 0.920 38 K CB 0.763 33.272 32.500 0.015 0.000 1.149 38 K HN 0.857 nan 8.250 nan 0.000 0.444 39 G N 2.409 111.266 108.800 0.095 0.000 2.611 39 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.301 39 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.301 39 G C 0.558 175.544 174.900 0.142 0.000 1.233 39 G CA 0.360 45.505 45.100 0.075 0.000 0.993 39 G HN 0.557 nan 8.290 nan 0.000 0.553 40 S N -0.168 115.606 115.700 0.123 0.000 2.603 40 S HA 0.305 4.774 4.470 -0.000 0.000 0.220 40 S C 0.775 175.573 174.600 0.331 0.000 0.967 40 S CA 0.733 59.040 58.200 0.179 0.000 0.920 40 S CB 0.193 63.437 63.200 0.074 0.000 0.773 40 S HN 0.770 nan 8.310 nan 0.000 0.529 41 V N 5.158 125.220 119.914 0.246 0.000 2.368 41 V HA 0.254 4.374 4.120 -0.000 0.000 0.266 41 V C -2.273 173.760 176.094 -0.101 0.000 1.045 41 V CA -2.272 60.092 62.300 0.105 0.000 0.899 41 V CB 0.549 32.391 31.823 0.032 0.000 1.006 41 V HN 0.115 nan 8.190 nan 0.000 0.470 42 P HA 0.199 nan 4.420 nan 0.000 0.271 42 P C 0.112 177.125 177.300 -0.478 0.000 1.226 42 P CA 0.198 62.666 63.100 -1.054 0.000 0.765 42 P CB 1.643 32.694 31.700 -1.083 0.000 0.835 43 T N 2.099 116.354 114.554 -0.498 0.000 3.182 43 T HA 0.163 4.513 4.350 -0.000 0.000 0.244 43 T C -0.042 174.448 174.700 -0.349 0.000 0.981 43 T CA 0.871 62.728 62.100 -0.404 0.000 1.182 43 T CB -0.116 68.426 68.868 -0.543 0.000 1.043 43 T HN 0.330 nan 8.240 nan 0.000 0.424 44 Y N 1.485 121.786 120.300 0.002 0.000 2.570 44 Y HA 0.482 5.032 4.550 -0.000 0.000 0.345 44 Y C 0.203 176.134 175.900 0.052 0.000 1.014 44 Y CA -1.494 56.672 58.100 0.110 0.000 1.063 44 Y CB 1.313 39.802 38.460 0.049 0.000 1.272 44 Y HN -0.051 nan 8.280 nan 0.000 0.477 45 T N -0.265 114.457 114.554 0.281 0.000 2.749 45 T HA 0.522 4.871 4.350 -0.000 0.000 0.295 45 T C -1.286 173.544 174.700 0.217 0.000 0.936 45 T CA -0.427 61.691 62.100 0.029 0.000 1.060 45 T CB 0.344 68.918 68.868 -0.491 0.000 0.904 45 T HN 0.612 nan 8.240 nan 0.000 0.500 46 Y N 2.146 122.454 120.300 0.013 0.000 2.452 46 Y HA 0.251 4.801 4.550 -0.000 0.000 0.323 46 Y C -0.169 175.753 175.900 0.036 0.000 1.244 46 Y CA -1.118 57.007 58.100 0.041 0.000 1.158 46 Y CB 0.656 39.114 38.460 -0.003 0.000 1.332 46 Y HN 0.773 nan 8.280 nan 0.000 0.456 47 H N 3.485 122.172 119.070 -0.638 0.000 2.355 47 H HA 0.495 5.051 4.556 -0.000 0.000 0.312 47 H C 0.709 175.550 175.328 -0.810 0.000 1.051 47 H CA 1.962 57.695 56.048 -0.525 0.000 1.389 47 H CB 0.843 30.405 29.762 -0.334 0.000 1.455 47 H HN 1.252 nan 8.280 nan 0.000 0.575 48 G N 0.483 108.716 108.800 -0.945 0.000 2.663 48 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.686 48 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.686 48 G C -0.198 174.652 174.900 -0.084 0.000 1.288 48 G CA -0.070 44.651 45.100 -0.632 0.000 0.836 48 G HN 0.658 nan 8.290 nan 0.000 0.584 49 T N 0.143 114.685 114.554 -0.020 0.000 2.909 49 T HA 0.746 5.096 4.350 -0.000 0.000 0.289 49 T C -1.240 173.477 174.700 0.029 0.000 1.005 49 T CA -0.408 61.709 62.100 0.027 0.000 1.084 49 T CB 1.581 70.464 68.868 0.026 0.000 0.975 49 T HN 0.825 nan 8.240 nan 0.000 0.509 50 P HA 0.514 nan 4.420 nan 0.000 0.276 50 P C -0.455 176.916 177.300 0.119 0.000 1.244 50 P CA -0.585 62.555 63.100 0.067 0.000 0.801 50 P CB 0.362 32.098 31.700 0.060 0.000 1.006 51 c N -1.430 117.202 118.600 0.052 0.000 3.323 51 c HA 0.464 5.034 4.570 -0.000 0.000 0.324 51 c C -0.689 173.414 174.090 0.021 0.000 1.428 51 c CA -0.947 55.361 56.329 -0.035 0.000 1.368 51 c CB 0.703 43.025 42.510 -0.314 0.000 1.731 51 c HN 0.501 nan 8.230 nan 0.000 0.455 52 D N 0.976 121.399 120.400 0.038 0.000 2.601 52 D HA 0.158 4.798 4.640 -0.000 0.000 0.229 52 D C -0.258 176.131 176.300 0.149 0.000 1.140 52 D CA 0.685 54.762 54.000 0.128 0.000 0.862 52 D CB 0.063 40.955 40.800 0.154 0.000 1.192 52 D HN 0.558 nan 8.370 nan 0.000 0.480 53 F N 1.128 121.118 119.950 0.065 0.000 2.607 53 F HA 0.248 4.775 4.527 -0.000 0.000 0.374 53 F C 1.704 177.567 175.800 0.106 0.000 1.104 53 F CA 1.353 59.397 58.000 0.072 0.000 1.296 53 F CB 0.432 39.475 39.000 0.071 0.000 1.085 53 F HN 0.528 nan 8.300 nan 0.000 0.584 54 G N 3.822 112.246 108.800 -0.627 0.000 2.148 54 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 54 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 54 G C 0.040 174.903 174.900 -0.062 0.000 0.981 54 G CA -0.122 44.794 45.100 -0.307 0.000 0.670 54 G HN 0.652 nan 8.290 nan 0.000 0.528 55 R N 0.535 120.989 120.500 -0.076 0.000 2.599 55 R HA 0.405 4.745 4.340 -0.000 0.000 0.295 55 R C -0.945 175.315 176.300 -0.066 0.000 0.963 55 R CA -0.930 55.145 56.100 -0.040 0.000 0.883 55 R CB 1.120 31.397 30.300 -0.039 0.000 1.171 55 R HN 0.153 nan 8.270 nan 0.000 0.450 56 D N 1.046 121.422 120.400 -0.040 0.000 2.425 56 D HA 0.035 4.675 4.640 -0.000 0.000 0.247 56 D C 0.644 176.917 176.300 -0.043 0.000 1.147 56 D CA 0.091 54.074 54.000 -0.029 0.000 0.879 56 D CB 1.029 41.830 40.800 0.001 0.000 1.179 56 D HN 0.479 nan 8.370 nan 0.000 0.456 57 c N 1.552 120.126 118.600 -0.043 0.000 2.799 57 c HA 0.116 4.685 4.570 -0.000 0.000 0.267 57 c C 1.911 175.959 174.090 -0.070 0.000 1.257 57 c CA -0.374 55.904 56.329 -0.086 0.000 1.702 57 c CB -1.085 41.391 42.510 -0.057 0.000 1.934 57 c HN 0.644 nan 8.230 nan 0.000 0.594 58 I N -2.960 117.641 120.570 0.052 0.000 3.947 58 I HA 0.344 4.514 4.170 -0.000 0.000 0.327 58 I C 0.230 176.563 176.117 0.359 0.000 1.519 58 I CA -0.247 61.198 61.300 0.240 0.000 1.122 58 I CB -0.204 37.942 38.000 0.245 0.000 1.146 58 I HN -0.102 nan 8.210 nan 0.000 0.442 59 R N 3.334 123.972 120.500 0.229 0.000 2.590 59 R HA 0.238 4.578 4.340 -0.000 0.000 0.274 59 R C -0.845 175.671 176.300 0.361 0.000 1.061 59 R CA 0.213 56.452 56.100 0.231 0.000 1.081 59 R CB 0.446 30.809 30.300 0.105 0.000 0.984 59 R HN 0.640 nan 8.270 nan 0.000 0.448 60 W N 0.319 121.649 121.300 0.049 0.000 3.005 60 W HA 0.598 5.258 4.660 -0.000 0.000 0.343 60 W C -1.286 175.233 176.519 -0.000 0.000 1.243 60 W CA -0.758 56.597 57.345 0.017 0.000 1.186 60 W CB 1.192 30.582 29.460 -0.117 0.000 1.453 60 W HN 0.452 nan 8.180 nan 0.000 0.575 61 E N 0.329 120.625 120.200 0.161 0.000 2.412 61 E HA 0.435 4.785 4.350 -0.000 0.000 0.279 61 E C -1.846 174.974 176.600 0.367 0.000 0.984 61 E CA -0.817 55.576 56.400 -0.012 0.000 0.788 61 E CB 1.365 31.202 29.700 0.229 0.000 1.277 61 E HN 0.263 nan 8.360 nan 0.000 0.455 62 Y N 2.731 123.320 120.300 0.482 0.000 2.511 62 Y HA 0.070 4.620 4.550 -0.000 0.000 0.332 62 Y C 1.343 177.460 175.900 0.361 0.000 1.177 62 Y CA 0.241 58.620 58.100 0.465 0.000 1.422 62 Y CB 0.197 38.846 38.460 0.314 0.000 1.271 62 Y HN 0.636 nan 8.280 nan 0.000 0.550 63 F N 3.750 123.864 119.950 0.272 0.000 2.095 63 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 63 F C 2.062 177.979 175.800 0.196 0.000 1.104 63 F CA 2.122 60.220 58.000 0.165 0.000 1.232 63 F CB -0.427 38.588 39.000 0.025 0.000 0.987 63 F HN 0.711 nan 8.300 nan 0.000 0.475 64 N N 0.767 119.499 118.700 0.053 0.000 2.104 64 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 64 N C 1.802 177.302 175.510 -0.018 0.000 1.024 64 N CA 2.229 55.229 53.050 -0.085 0.000 0.853 64 N CB -1.305 37.179 38.487 -0.005 0.000 1.008 64 N HN 0.323 nan 8.380 nan 0.000 0.424 65 V N 0.499 120.484 119.914 0.118 0.000 2.358 65 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 65 V C 2.201 178.355 176.094 0.099 0.000 1.047 65 V CA 1.416 63.787 62.300 0.117 0.000 1.035 65 V CB -0.957 30.991 31.823 0.208 0.000 0.658 65 V HN 0.125 nan 8.190 nan 0.000 0.452 66 F N 0.452 120.410 119.950 0.014 0.000 2.095 66 F HA -0.202 4.324 4.527 -0.000 0.000 0.298 66 F C 2.121 177.861 175.800 -0.100 0.000 1.104 66 F CA 1.745 59.735 58.000 -0.016 0.000 1.232 66 F CB -0.219 38.809 39.000 0.047 0.000 0.987 66 F HN 0.015 nan 8.300 nan 0.000 0.475 67 L N 0.098 121.303 121.223 -0.030 0.000 2.012 67 L HA -0.291 4.049 4.340 -0.000 0.000 0.210 67 L C 2.415 179.257 176.870 -0.046 0.000 1.073 67 L CA 1.762 56.519 54.840 -0.139 0.000 0.748 67 L CB -0.864 41.028 42.059 -0.280 0.000 0.891 67 L HN 0.119 nan 8.230 nan 0.000 0.431 68 K N -0.611 119.758 120.400 -0.052 0.000 2.097 68 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 68 K C 2.055 178.633 176.600 -0.037 0.000 1.049 68 K CA 1.762 58.027 56.287 -0.037 0.000 0.933 68 K CB -0.325 32.156 32.500 -0.031 0.000 0.717 68 K HN 0.332 nan 8.250 nan 0.000 0.442 69 T N 2.000 116.514 114.554 -0.066 0.000 2.812 69 T HA -0.008 4.341 4.350 -0.000 0.000 0.264 69 T C 1.918 176.656 174.700 0.062 0.000 1.042 69 T CA 0.683 62.764 62.100 -0.032 0.000 1.140 69 T CB -0.106 68.701 68.868 -0.101 0.000 0.870 69 T HN 0.091 nan 8.240 nan 0.000 0.445 70 L N 0.786 121.948 121.223 -0.102 0.000 2.012 70 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 70 L C 2.884 179.896 176.870 0.237 0.000 1.073 70 L CA 1.541 56.371 54.840 -0.016 0.000 0.748 70 L CB -0.566 41.229 42.059 -0.439 0.000 0.891 70 L HN 0.199 nan 8.230 nan 0.000 0.431 71 R N 0.550 121.169 120.500 0.198 0.000 2.096 71 R HA -0.231 4.109 4.340 -0.000 0.000 0.240 71 R C 2.126 178.414 176.300 -0.020 0.000 1.139 71 R CA 2.042 58.104 56.100 -0.062 0.000 0.952 71 R CB -0.174 30.016 30.300 -0.183 0.000 0.854 71 R HN 0.433 nan 8.270 nan 0.000 0.436 72 E N -0.843 119.350 120.200 -0.012 0.000 2.085 72 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 72 E C 1.771 178.334 176.600 -0.063 0.000 0.994 72 E CA 1.488 57.836 56.400 -0.088 0.000 0.801 72 E CB -0.147 29.438 29.700 -0.193 0.000 0.743 72 E HN 0.499 nan 8.360 nan 0.000 0.453 73 Y N 0.230 120.592 120.300 0.103 0.000 2.561 73 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 73 Y C 2.114 178.150 175.900 0.227 0.000 1.141 73 Y CA 1.309 59.520 58.100 0.185 0.000 1.303 73 Y CB 0.388 39.018 38.460 0.283 0.000 1.015 73 Y HN 0.083 nan 8.280 nan 0.000 0.547 74 T N -5.061 109.678 114.554 0.309 0.000 3.170 74 T HA 0.184 4.534 4.350 -0.000 0.000 0.288 74 T C 0.256 175.111 174.700 0.259 0.000 0.992 74 T CA -0.224 62.038 62.100 0.272 0.000 0.909 74 T CB -0.161 68.772 68.868 0.109 0.000 1.133 74 T HN -0.129 nan 8.240 nan 0.000 0.530 75 T N 4.840 119.496 114.554 0.170 0.000 2.781 75 T HA 0.443 4.793 4.350 -0.000 0.000 0.305 75 T C -2.807 171.636 174.700 -0.428 0.000 1.001 75 T CA -1.363 60.675 62.100 -0.104 0.000 0.950 75 T CB 1.151 69.945 68.868 -0.124 0.000 0.955 75 T HN 0.045 nan 8.240 nan 0.000 0.471 76 P HA 0.125 nan 4.420 nan 0.000 0.263 76 P C 1.164 178.110 177.300 -0.591 0.000 1.175 76 P CA 1.171 63.481 63.100 -1.316 0.000 0.761 76 P CB 0.283 31.509 31.700 -0.790 0.000 0.794 77 G N 1.630 110.166 108.800 -0.439 0.000 2.225 77 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 77 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 77 G C 0.496 175.325 174.900 -0.118 0.000 0.988 77 G CA -0.267 44.717 45.100 -0.193 0.000 0.625 77 G HN 0.676 nan 8.290 nan 0.000 0.527 78 N N 0.922 119.554 118.700 -0.112 0.000 2.525 78 N HA 0.456 5.196 4.740 -0.000 0.000 0.271 78 N C 1.677 177.179 175.510 -0.013 0.000 1.194 78 N CA 0.620 53.636 53.050 -0.057 0.000 0.964 78 N CB 1.147 39.601 38.487 -0.055 0.000 1.126 78 N HN 0.459 nan 8.380 nan 0.000 0.452 79 A N 3.850 126.642 122.820 -0.046 0.000 2.019 79 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 79 A C 1.746 179.300 177.584 -0.051 0.000 1.164 79 A CA 1.385 53.400 52.037 -0.037 0.000 0.644 79 A CB -0.085 18.884 19.000 -0.051 0.000 0.805 79 A HN 0.781 nan 8.150 nan 0.000 0.449 80 K N -1.741 118.581 120.400 -0.131 0.000 2.404 80 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 80 K C -0.120 176.403 176.600 -0.128 0.000 1.023 80 K CA -0.391 55.726 56.287 -0.283 0.000 1.094 80 K CB 0.025 32.079 32.500 -0.743 0.000 0.841 80 K HN 0.529 nan 8.250 nan 0.000 0.523 81 Y N 2.730 122.968 120.300 -0.103 0.000 2.717 81 Y HA -0.093 4.457 4.550 -0.000 0.000 0.330 81 Y C -0.337 175.612 175.900 0.082 0.000 1.217 81 Y CA -0.004 58.094 58.100 -0.003 0.000 1.506 81 Y CB 0.443 38.887 38.460 -0.027 0.000 1.268 81 Y HN -0.138 nan 8.280 nan 0.000 0.561 82 R N 6.092 126.309 120.500 -0.472 0.000 2.371 82 R HA 0.091 4.431 4.340 -0.000 0.000 0.312 82 R C 0.318 176.198 176.300 -0.701 0.000 0.980 82 R CA -0.355 55.517 56.100 -0.380 0.000 0.867 82 R CB 0.973 31.301 30.300 0.047 0.000 1.163 82 R HN 0.876 nan 8.270 nan 0.000 0.492 83 D N 1.871 121.800 120.400 -0.786 0.000 2.350 83 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 83 D C 1.229 177.456 176.300 -0.122 0.000 0.968 83 D CA 0.871 54.585 54.000 -0.477 0.000 0.894 83 D CB 0.092 40.806 40.800 -0.143 0.000 0.909 83 D HN 0.639 nan 8.370 nan 0.000 0.520 84 G N -0.714 108.048 108.800 -0.063 0.000 2.712 84 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 84 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 84 G C -0.011 174.988 174.900 0.165 0.000 1.142 84 G CA -0.339 44.785 45.100 0.039 0.000 0.789 84 G HN 0.234 nan 8.290 nan 0.000 0.535 85 F N 2.629 122.572 119.950 -0.012 0.000 2.335 85 F HA 0.448 4.975 4.527 -0.000 0.000 0.365 85 F C 0.947 176.858 175.800 0.186 0.000 1.122 85 F CA -2.688 55.356 58.000 0.074 0.000 1.151 85 F CB 0.521 39.555 39.000 0.057 0.000 1.282 85 F HN 0.138 nan 8.300 nan 0.000 0.513 86 I N 3.757 124.593 120.570 0.443 0.000 4.288 86 I HA 0.428 4.597 4.170 -0.000 0.000 0.331 86 I C -0.986 175.372 176.117 0.403 0.000 1.322 86 I CA 0.006 61.547 61.300 0.401 0.000 1.149 86 I CB 0.756 39.002 38.000 0.410 0.000 1.112 86 I HN 0.399 nan 8.210 nan 0.000 0.403 87 L N 1.913 123.368 121.223 0.386 0.000 2.591 87 L HA 0.579 4.919 4.340 -0.000 0.000 0.257 87 L C -1.894 175.214 176.870 0.397 0.000 0.935 87 L CA -0.649 54.349 54.840 0.263 0.000 0.873 87 L CB 2.392 44.599 42.059 0.246 0.000 1.397 87 L HN 0.222 nan 8.230 nan 0.000 0.414 88 F N 2.375 122.381 119.950 0.095 0.000 2.599 88 F HA 0.868 5.395 4.527 -0.000 0.000 0.311 88 F C -1.439 174.369 175.800 0.014 0.000 1.076 88 F CA -1.184 56.896 58.000 0.134 0.000 0.937 88 F CB 1.500 40.632 39.000 0.219 0.000 1.282 88 F HN 0.078 nan 8.300 nan 0.000 0.460 89 V N 3.496 123.540 119.914 0.217 0.000 2.398 89 V HA 0.386 4.506 4.120 -0.000 0.000 0.286 89 V C -0.213 176.046 176.094 0.276 0.000 1.026 89 V CA -0.740 61.643 62.300 0.137 0.000 0.868 89 V CB 1.565 33.501 31.823 0.190 0.000 0.982 89 V HN 0.692 nan 8.190 nan 0.000 0.443 90 L N 3.945 125.308 121.223 0.233 0.000 2.264 90 L HA 0.419 4.759 4.340 -0.000 0.000 0.287 90 L C -0.069 176.924 176.870 0.206 0.000 1.039 90 L CA -0.462 54.532 54.840 0.256 0.000 0.829 90 L CB 1.031 43.268 42.059 0.296 0.000 1.211 90 L HN 0.553 nan 8.230 nan 0.000 0.427 91 D N 4.736 125.269 120.400 0.223 0.000 2.383 91 D HA 0.198 4.837 4.640 -0.000 0.000 0.245 91 D C -0.289 176.078 176.300 0.113 0.000 1.263 91 D CA 0.018 54.139 54.000 0.203 0.000 0.936 91 D CB 0.422 41.389 40.800 0.279 0.000 1.053 91 D HN 0.291 nan 8.370 nan 0.000 0.507 92 L N 4.685 125.950 121.223 0.072 0.000 2.283 92 L HA 0.203 4.543 4.340 -0.000 0.000 0.287 92 L C 1.075 177.974 176.870 0.047 0.000 1.073 92 L CA -0.394 54.516 54.840 0.117 0.000 0.822 92 L CB 0.627 42.657 42.059 -0.049 0.000 1.186 92 L HN -0.023 nan 8.230 nan 0.000 0.436 93 K N 2.792 123.306 120.400 0.189 0.000 2.307 93 K HA 0.111 4.431 4.320 -0.000 0.000 0.240 93 K C 1.011 177.598 176.600 -0.021 0.000 1.214 93 K CA -0.043 56.282 56.287 0.062 0.000 1.149 93 K CB 0.048 32.596 32.500 0.082 0.000 1.668 93 K HN 0.612 nan 8.250 nan 0.000 0.314 94 T N -3.475 110.948 114.554 -0.219 0.000 3.122 94 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 94 T C 1.789 176.456 174.700 -0.055 0.000 1.067 94 T CA 0.143 62.031 62.100 -0.353 0.000 0.966 94 T CB 0.378 68.996 68.868 -0.417 0.000 1.002 94 T HN 0.354 nan 8.240 nan 0.000 0.542 95 G N 1.717 110.479 108.800 -0.063 0.000 2.475 95 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 95 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 95 G C 1.488 176.373 174.900 -0.025 0.000 1.125 95 G CA 0.787 45.849 45.100 -0.064 0.000 0.755 95 G HN 0.580 nan 8.290 nan 0.000 0.565 96 S N -0.012 115.667 115.700 -0.035 0.000 2.577 96 S HA 0.340 4.810 4.470 -0.000 0.000 0.219 96 S C 0.713 175.289 174.600 -0.040 0.000 0.962 96 S CA -0.519 57.662 58.200 -0.032 0.000 0.921 96 S CB 0.109 63.293 63.200 -0.026 0.000 0.789 96 S HN 0.212 nan 8.310 nan 0.000 0.497 97 L N 2.970 124.150 121.223 -0.072 0.000 2.456 97 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 97 L C 0.955 177.768 176.870 -0.095 0.000 1.189 97 L CA -0.471 54.293 54.840 -0.126 0.000 0.846 97 L CB 0.326 42.219 42.059 -0.277 0.000 1.111 97 L HN 0.235 nan 8.230 nan 0.000 0.475 98 S N 1.408 117.057 115.700 -0.085 0.000 2.600 98 S HA 0.105 4.575 4.470 -0.000 0.000 0.265 98 S C 0.922 175.454 174.600 -0.114 0.000 1.325 98 S CA -0.786 57.370 58.200 -0.073 0.000 1.002 98 S CB 0.774 63.942 63.200 -0.054 0.000 0.921 98 S HN 0.593 nan 8.310 nan 0.000 0.554 99 N N 2.233 120.877 118.700 -0.094 0.000 2.091 99 N HA -0.158 4.582 4.740 -0.000 0.000 0.193 99 N C 1.159 176.589 175.510 -0.133 0.000 1.021 99 N CA 1.766 54.743 53.050 -0.122 0.000 0.862 99 N CB -0.656 37.781 38.487 -0.083 0.000 1.018 99 N HN 0.909 nan 8.380 nan 0.000 0.429 100 D N -0.200 120.143 120.400 -0.095 0.000 2.363 100 D HA -0.079 4.561 4.640 -0.000 0.000 0.226 100 D C 1.054 177.304 176.300 -0.084 0.000 1.020 100 D CA 0.564 54.517 54.000 -0.079 0.000 0.892 100 D CB -0.342 40.427 40.800 -0.052 0.000 0.900 100 D HN 0.349 nan 8.370 nan 0.000 0.531 101 Q N -0.142 119.592 119.800 -0.111 0.000 2.384 101 Q HA 0.117 4.457 4.340 -0.000 0.000 0.207 101 Q C 2.028 177.938 176.000 -0.149 0.000 0.904 101 Q CA -0.040 55.700 55.803 -0.105 0.000 0.933 101 Q CB 0.882 29.562 28.738 -0.095 0.000 1.077 101 Q HN 0.137 nan 8.270 nan 0.000 0.522 102 V N 0.841 120.624 119.914 -0.219 0.000 2.307 102 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 102 V C 2.270 178.278 176.094 -0.142 0.000 1.045 102 V CA 1.883 64.020 62.300 -0.273 0.000 1.024 102 V CB -0.431 31.125 31.823 -0.445 0.000 0.651 102 V HN 0.283 nan 8.190 nan 0.000 0.449 103 R N 0.208 120.630 120.500 -0.131 0.000 2.073 103 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 103 R C -0.057 176.177 176.300 -0.111 0.000 1.134 103 R CA 1.857 57.896 56.100 -0.102 0.000 0.952 103 R CB -1.262 28.997 30.300 -0.068 0.000 0.850 103 R HN 0.432 nan 8.270 nan 0.000 0.433 104 P HA -0.086 nan 4.420 nan 0.000 0.219 104 P C 0.646 177.925 177.300 -0.036 0.000 1.146 104 P CA 1.657 64.730 63.100 -0.046 0.000 0.808 104 P CB -0.020 31.667 31.700 -0.021 0.000 0.779 105 A N 0.075 122.868 122.820 -0.045 0.000 1.877 105 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 105 A C 2.520 179.969 177.584 -0.225 0.000 1.186 105 A CA 2.118 54.190 52.037 0.058 0.000 0.620 105 A CB -1.928 17.098 19.000 0.043 0.000 0.822 105 A HN 0.270 nan 8.150 nan 0.000 0.443 106 G N -0.470 107.817 108.800 -0.855 0.000 2.440 106 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 106 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 106 G C 1.413 176.115 174.900 -0.330 0.000 1.154 106 G CA 1.078 45.346 45.100 -1.385 0.000 0.767 106 G HN 0.669 nan 8.290 nan 0.000 0.552 107 E N 0.636 120.732 120.200 -0.174 0.000 2.058 107 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 107 E C 2.515 179.119 176.600 0.006 0.000 0.997 107 E CA 1.121 57.486 56.400 -0.059 0.000 0.801 107 E CB -0.115 29.563 29.700 -0.037 0.000 0.746 107 E HN 0.272 nan 8.360 nan 0.000 0.450 108 N N 0.385 119.112 118.700 0.047 0.000 2.166 108 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 108 N C 1.894 177.534 175.510 0.217 0.000 1.019 108 N CA 0.773 53.898 53.050 0.124 0.000 0.856 108 N CB -0.347 38.231 38.487 0.151 0.000 0.993 108 N HN 0.003 nan 8.380 nan 0.000 0.426 109 V N 1.329 121.416 119.914 0.287 0.000 2.358 109 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 109 V C 2.361 178.738 176.094 0.471 0.000 1.047 109 V CA 1.666 64.269 62.300 0.504 0.000 1.035 109 V CB -0.921 31.313 31.823 0.684 0.000 0.658 109 V HN 0.288 nan 8.190 nan 0.000 0.452 110 A N -0.166 122.809 122.820 0.259 0.000 1.877 110 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 110 A C 2.288 179.894 177.584 0.037 0.000 1.186 110 A CA 2.079 54.025 52.037 -0.151 0.000 0.620 110 A CB -0.453 18.178 19.000 -0.614 0.000 0.822 110 A HN 0.529 nan 8.150 nan 0.000 0.443 111 K N -0.508 119.929 120.400 0.062 0.000 2.057 111 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 111 K C 2.077 178.738 176.600 0.102 0.000 1.049 111 K CA 1.404 57.738 56.287 0.078 0.000 0.931 111 K CB -0.123 32.417 32.500 0.066 0.000 0.714 111 K HN 0.438 nan 8.250 nan 0.000 0.440 112 E N 0.896 121.180 120.200 0.141 0.000 2.051 112 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 112 E C 2.148 178.761 176.600 0.022 0.000 0.991 112 E CA 1.065 57.520 56.400 0.090 0.000 0.799 112 E CB -0.147 29.675 29.700 0.203 0.000 0.748 112 E HN 0.291 nan 8.360 nan 0.000 0.449 113 L N 0.374 121.648 121.223 0.086 0.000 2.046 113 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 113 L C 2.662 179.595 176.870 0.105 0.000 1.077 113 L CA 0.490 55.314 54.840 -0.026 0.000 0.747 113 L CB -0.353 41.635 42.059 -0.117 0.000 0.896 113 L HN 0.130 nan 8.230 nan 0.000 0.432 114 L N -0.173 121.212 121.223 0.271 0.000 1.989 114 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 114 L C 2.631 179.586 176.870 0.142 0.000 1.071 114 L CA 1.873 56.889 54.840 0.293 0.000 0.749 114 L CB -0.415 41.754 42.059 0.183 0.000 0.890 114 L HN 0.236 nan 8.230 nan 0.000 0.431 115 Q N -0.819 119.031 119.800 0.083 0.000 2.046 115 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 115 Q C 1.818 177.827 176.000 0.015 0.000 0.975 115 Q CA 2.079 57.906 55.803 0.041 0.000 0.836 115 Q CB -0.049 28.706 28.738 0.029 0.000 0.896 115 Q HN 0.531 nan 8.270 nan 0.000 0.428 116 N N -1.679 117.020 118.700 -0.001 0.000 2.368 116 N HA -0.010 4.730 4.740 -0.000 0.000 0.178 116 N C 0.690 176.187 175.510 -0.022 0.000 1.076 116 N CA 0.429 53.460 53.050 -0.031 0.000 0.889 116 N CB 0.278 38.721 38.487 -0.073 0.000 1.040 116 N HN 0.261 nan 8.380 nan 0.000 0.463 117 Y N -0.795 119.403 120.300 -0.170 0.000 2.506 117 Y HA 0.166 4.716 4.550 -0.000 0.000 0.287 117 Y C 1.217 177.020 175.900 -0.162 0.000 1.147 117 Y CA 0.602 58.551 58.100 -0.251 0.000 1.241 117 Y CB 0.020 38.208 38.460 -0.453 0.000 1.279 117 Y HN -0.079 nan 8.280 nan 0.000 0.527 118 W N 0.948 122.206 121.300 -0.070 0.000 3.211 118 W HA 0.187 4.847 4.660 -0.000 0.000 0.292 118 W C 0.599 177.010 176.519 -0.181 0.000 1.268 118 W CA 0.465 57.706 57.345 -0.172 0.000 1.702 118 W CB -1.084 28.339 29.460 -0.061 0.000 1.092 118 W HN 0.225 nan 8.180 nan 0.000 0.643 119 N N 2.374 121.103 118.700 0.048 0.000 2.707 119 N HA -0.292 4.448 4.740 -0.000 0.000 0.253 119 N C -0.008 175.493 175.510 -0.014 0.000 0.998 119 N CA 1.400 54.449 53.050 -0.001 0.000 0.751 119 N CB -1.585 36.880 38.487 -0.037 0.000 0.920 119 N HN 0.209 nan 8.380 nan 0.000 0.539 120 N N -1.852 116.824 118.700 -0.040 0.000 2.725 120 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 120 N C 1.050 176.376 175.510 -0.307 0.000 1.103 120 N CA 1.591 54.521 53.050 -0.200 0.000 0.707 120 N CB -1.495 36.994 38.487 0.004 0.000 1.043 120 N HN 1.063 nan 8.380 nan 0.000 0.553 121 G N -0.657 107.987 108.800 -0.260 0.000 2.205 121 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.261 121 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.261 121 G C -0.012 174.870 174.900 -0.031 0.000 0.980 121 G CA 0.429 45.451 45.100 -0.129 0.000 0.632 121 G HN 0.587 nan 8.290 nan 0.000 0.533 122 N N 1.215 119.900 118.700 -0.025 0.000 2.719 122 N HA 0.421 5.161 4.740 -0.000 0.000 0.243 122 N C 0.485 175.974 175.510 -0.036 0.000 1.104 122 N CA 0.256 53.296 53.050 -0.017 0.000 0.981 122 N CB 0.150 38.632 38.487 -0.008 0.000 1.290 122 N HN 0.455 nan 8.380 nan 0.000 0.513 123 N N 0.761 119.436 118.700 -0.042 0.000 2.727 123 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 123 N C -0.014 175.445 175.510 -0.085 0.000 1.040 123 N CA -0.001 53.010 53.050 -0.065 0.000 0.712 123 N CB -0.521 37.924 38.487 -0.071 0.000 0.912 123 N HN 0.625 nan 8.380 nan 0.000 0.545 124 G N -0.286 108.474 108.800 -0.066 0.000 2.588 124 G HA2 0.553 4.513 3.960 -0.000 0.000 0.281 124 G HA3 0.553 4.513 3.960 -0.000 0.000 0.281 124 G C 0.598 175.372 174.900 -0.210 0.000 1.236 124 G CA 0.067 45.096 45.100 -0.119 0.000 0.969 124 G HN 0.357 nan 8.290 nan 0.000 0.504 125 G N -1.438 107.011 108.800 -0.584 0.000 2.491 125 G HA2 0.350 4.310 3.960 -0.000 0.000 0.238 125 G HA3 0.350 4.310 3.960 -0.000 0.000 0.238 125 G C 0.985 175.848 174.900 -0.060 0.000 1.277 125 G CA -0.109 44.667 45.100 -0.540 0.000 0.851 125 G HN 0.798 nan 8.290 nan 0.000 0.573 126 R N 1.000 121.552 120.500 0.087 0.000 2.280 126 R HA 0.420 4.760 4.340 -0.000 0.000 0.195 126 R C 1.083 177.540 176.300 0.262 0.000 0.935 126 R CA 0.436 56.622 56.100 0.144 0.000 1.033 126 R CB 0.119 30.403 30.300 -0.027 0.000 0.964 126 R HN 0.463 nan 8.270 nan 0.000 0.489 127 A N 1.287 124.308 122.820 0.335 0.000 2.425 127 A HA 0.219 4.538 4.320 -0.000 0.000 0.242 127 A C -0.876 176.787 177.584 0.133 0.000 1.077 127 A CA -0.425 51.774 52.037 0.270 0.000 0.781 127 A CB -0.049 19.014 19.000 0.105 0.000 1.020 127 A HN 0.317 nan 8.150 nan 0.000 0.494 128 Y N -0.044 120.297 120.300 0.067 0.000 2.379 128 Y HA 0.377 4.927 4.550 -0.000 0.000 0.337 128 Y C 0.654 176.321 175.900 -0.388 0.000 1.238 128 Y CA 0.496 58.554 58.100 -0.069 0.000 1.405 128 Y CB 0.932 39.199 38.460 -0.322 0.000 1.310 128 Y HN 0.441 nan 8.280 nan 0.000 0.569 129 V N 3.964 123.788 119.914 -0.149 0.000 2.588 129 V HA 0.574 4.694 4.120 -0.000 0.000 0.304 129 V C -1.346 174.587 176.094 -0.268 0.000 1.042 129 V CA -0.743 61.214 62.300 -0.571 0.000 0.877 129 V CB 1.625 32.997 31.823 -0.751 0.000 0.996 129 V HN 0.514 nan 8.190 nan 0.000 0.425 130 V N 8.000 127.696 119.914 -0.364 0.000 2.370 130 V HA 0.438 4.558 4.120 -0.000 0.000 0.283 130 V C 0.059 176.049 176.094 -0.174 0.000 1.023 130 V CA -0.529 61.565 62.300 -0.344 0.000 0.857 130 V CB 1.476 32.983 31.823 -0.526 0.000 0.985 130 V HN 0.734 nan 8.190 nan 0.000 0.443 131 L N 4.309 125.426 121.223 -0.177 0.000 2.283 131 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 131 L C 0.549 177.479 176.870 0.100 0.000 1.073 131 L CA 0.331 55.153 54.840 -0.029 0.000 0.822 131 L CB 1.143 43.174 42.059 -0.045 0.000 1.186 131 L HN 0.635 nan 8.230 nan 0.000 0.436 132 S N 5.147 120.921 115.700 0.124 0.000 2.422 132 S HA 0.608 5.077 4.470 -0.000 0.000 0.308 132 S C -0.457 174.174 174.600 0.052 0.000 1.097 132 S CA -0.579 57.745 58.200 0.207 0.000 1.099 132 S CB 0.390 63.792 63.200 0.337 0.000 0.976 132 S HN 0.433 nan 8.310 nan 0.000 0.471 133 L N 7.108 128.349 121.223 0.030 0.000 2.325 133 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 133 L C -1.570 175.216 176.870 -0.140 0.000 1.023 133 L CA -2.117 52.619 54.840 -0.173 0.000 0.811 133 L CB 2.282 44.129 42.059 -0.353 0.000 1.249 133 L HN 0.506 nan 8.230 nan 0.000 0.431 134 P HA 0.080 nan 4.420 nan 0.000 0.262 134 P C -0.620 176.508 177.300 -0.287 0.000 1.304 134 P CA 0.323 63.294 63.100 -0.215 0.000 0.859 134 P CB 0.543 32.102 31.700 -0.235 0.000 1.310 135 D N 0.577 120.722 120.400 -0.425 0.000 2.736 135 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 135 D C 1.248 177.284 176.300 -0.440 0.000 1.304 135 D CA -0.533 53.153 54.000 -0.524 0.000 0.934 135 D CB 1.489 41.643 40.800 -1.077 0.000 1.382 135 D HN -0.100 nan 8.370 nan 0.000 0.571 136 I N 0.764 121.188 120.570 -0.243 0.000 2.850 136 I HA 0.118 4.288 4.170 -0.000 0.000 0.266 136 I C 1.534 177.580 176.117 -0.119 0.000 1.257 136 I CA 0.888 62.088 61.300 -0.167 0.000 1.465 136 I CB 0.034 38.032 38.000 -0.003 0.000 1.091 136 I HN 0.326 nan 8.210 nan 0.000 0.467 137 G N -0.441 108.272 108.800 -0.145 0.000 2.985 137 G HA2 0.029 3.989 3.960 -0.000 0.000 0.209 137 G HA3 0.029 3.989 3.960 -0.000 0.000 0.209 137 G C 0.882 175.702 174.900 -0.134 0.000 1.165 137 G CA -0.128 44.951 45.100 -0.036 0.000 0.776 137 G HN 0.630 nan 8.290 nan 0.000 0.541 138 H N -0.099 118.735 119.070 -0.393 0.000 2.610 138 H HA 0.084 4.640 4.556 -0.000 0.000 0.302 138 H C 1.509 176.559 175.328 -0.464 0.000 1.063 138 H CA -0.470 55.314 56.048 -0.440 0.000 1.159 138 H CB 0.150 29.673 29.762 -0.399 0.000 1.427 138 H HN 0.638 nan 8.280 nan 0.000 0.553 139 Y N -0.164 120.011 120.300 -0.208 0.000 2.333 139 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 139 Y C 1.838 177.779 175.900 0.069 0.000 1.144 139 Y CA 0.362 58.412 58.100 -0.082 0.000 1.228 139 Y CB -0.227 38.274 38.460 0.069 0.000 0.985 139 Y HN 0.067 nan 8.280 nan 0.000 0.542 140 E N 0.657 120.671 120.200 -0.310 0.000 2.160 140 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 140 E C 1.919 178.543 176.600 0.041 0.000 0.991 140 E CA 1.352 57.695 56.400 -0.094 0.000 0.810 140 E CB -0.668 28.898 29.700 -0.223 0.000 0.742 140 E HN 0.680 nan 8.360 nan 0.000 0.466 141 F N 1.230 121.116 119.950 -0.108 0.000 2.091 141 F HA -0.286 4.241 4.527 -0.000 0.000 0.299 141 F C 2.284 178.180 175.800 0.159 0.000 1.103 141 F CA 1.392 59.387 58.000 -0.009 0.000 1.228 141 F CB -0.091 38.862 39.000 -0.078 0.000 0.984 141 F HN -0.183 nan 8.300 nan 0.000 0.477 142 V N 0.872 121.087 119.914 0.502 0.000 2.427 142 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 142 V C 2.443 178.736 176.094 0.332 0.000 1.051 142 V CA 1.902 64.490 62.300 0.479 0.000 1.048 142 V CB -0.639 31.442 31.823 0.430 0.000 0.666 142 V HN 0.291 nan 8.190 nan 0.000 0.456 143 R N 0.179 120.825 120.500 0.243 0.000 2.081 143 R HA -0.116 4.223 4.340 -0.000 0.000 0.235 143 R C 2.457 178.837 176.300 0.134 0.000 1.131 143 R CA 1.612 57.817 56.100 0.174 0.000 0.960 143 R CB -0.871 29.524 30.300 0.159 0.000 0.856 143 R HN 0.581 nan 8.270 nan 0.000 0.436 144 G N 0.400 109.253 108.800 0.089 0.000 2.408 144 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 144 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 144 G C 1.279 176.211 174.900 0.054 0.000 1.150 144 G CA 0.167 45.284 45.100 0.028 0.000 0.776 144 G HN 0.244 nan 8.290 nan 0.000 0.542 145 F N 1.527 121.444 119.950 -0.055 0.000 2.069 145 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 145 F C 2.749 178.624 175.800 0.124 0.000 1.113 145 F CA 2.056 60.077 58.000 0.035 0.000 1.214 145 F CB -0.061 39.017 39.000 0.130 0.000 0.978 145 F HN 0.015 nan 8.300 nan 0.000 0.474 146 K N -0.038 120.591 120.400 0.382 0.000 2.103 146 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 146 K C 2.174 178.824 176.600 0.084 0.000 1.048 146 K CA 1.724 58.156 56.287 0.243 0.000 0.930 146 K CB -0.374 32.268 32.500 0.238 0.000 0.716 146 K HN 0.462 nan 8.250 nan 0.000 0.444 147 E N 0.775 121.014 120.200 0.064 0.000 2.072 147 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 147 E C 1.944 178.541 176.600 -0.005 0.000 0.985 147 E CA 1.024 57.440 56.400 0.027 0.000 0.801 147 E CB 0.178 29.894 29.700 0.027 0.000 0.750 147 E HN 0.035 nan 8.360 nan 0.000 0.452 148 V N 1.120 121.012 119.914 -0.037 0.000 2.295 148 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 148 V C 2.472 178.542 176.094 -0.040 0.000 1.049 148 V CA 1.377 63.647 62.300 -0.049 0.000 1.024 148 V CB -0.445 31.328 31.823 -0.083 0.000 0.648 148 V HN 0.245 nan 8.190 nan 0.000 0.447 149 L N -0.242 120.930 121.223 -0.084 0.000 1.989 149 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 149 L C 2.431 179.304 176.870 0.006 0.000 1.071 149 L CA 2.035 56.856 54.840 -0.032 0.000 0.749 149 L CB -0.831 41.182 42.059 -0.077 0.000 0.890 149 L HN 0.255 nan 8.230 nan 0.000 0.431 150 K N -0.579 119.820 120.400 -0.002 0.000 2.009 150 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 150 K C 2.196 178.779 176.600 -0.028 0.000 1.049 150 K CA 1.600 57.880 56.287 -0.010 0.000 0.929 150 K CB -0.322 32.182 32.500 0.005 0.000 0.714 150 K HN 0.168 nan 8.250 nan 0.000 0.440 151 K N 1.100 121.490 120.400 -0.017 0.000 2.074 151 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 151 K C 1.460 178.041 176.600 -0.031 0.000 1.048 151 K CA 1.490 57.766 56.287 -0.019 0.000 0.926 151 K CB 0.118 32.613 32.500 -0.008 0.000 0.713 151 K HN 0.065 nan 8.250 nan 0.000 0.444 152 E N -0.644 119.545 120.200 -0.019 0.000 2.502 152 E HA 0.018 4.367 4.350 -0.000 0.000 0.194 152 E C 0.651 177.133 176.600 -0.197 0.000 1.062 152 E CA 0.726 57.117 56.400 -0.014 0.000 0.867 152 E CB 0.322 30.095 29.700 0.123 0.000 0.888 152 E HN 0.577 nan 8.360 nan 0.000 0.510 153 G N 1.931 110.598 108.800 -0.222 0.000 2.248 153 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 153 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 153 G C 0.070 174.625 174.900 -0.575 0.000 1.085 153 G CA -0.012 44.881 45.100 -0.346 0.000 0.845 153 G HN 0.350 nan 8.290 nan 0.000 0.494 154 H N -0.961 118.076 119.070 -0.056 0.000 2.750 154 H HA 0.207 4.763 4.556 -0.000 0.000 0.239 154 H C 1.392 176.654 175.328 -0.111 0.000 1.210 154 H CA 0.101 56.091 56.048 -0.096 0.000 0.936 154 H CB 0.397 30.089 29.762 -0.117 0.000 2.074 154 H HN 0.622 nan 8.280 nan 0.000 0.622 155 E N 1.322 121.522 120.200 0.001 0.000 2.171 155 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 155 E C 1.222 177.827 176.600 0.008 0.000 0.997 155 E CA 1.512 57.917 56.400 0.009 0.000 0.810 155 E CB 0.372 30.076 29.700 0.007 0.000 0.738 155 E HN 0.550 nan 8.360 nan 0.000 0.467 156 D N 0.545 120.943 120.400 -0.004 0.000 2.158 156 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 156 D C 2.002 178.255 176.300 -0.077 0.000 0.995 156 D CA 0.901 54.894 54.000 -0.013 0.000 0.846 156 D CB -0.537 40.257 40.800 -0.009 0.000 0.941 156 D HN 0.347 nan 8.370 nan 0.000 0.456 157 L N 0.165 121.264 121.223 -0.206 0.000 2.362 157 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 157 L C 2.553 179.270 176.870 -0.256 0.000 1.134 157 L CA 0.150 54.682 54.840 -0.513 0.000 0.807 157 L CB -0.257 41.127 42.059 -1.125 0.000 0.927 157 L HN -0.014 nan 8.230 nan 0.000 0.447 158 L N -0.533 120.683 121.223 -0.011 0.000 2.456 158 L HA -0.151 4.189 4.340 -0.000 0.000 0.224 158 L C 2.178 179.217 176.870 0.282 0.000 1.148 158 L CA 0.768 55.721 54.840 0.188 0.000 0.825 158 L CB -0.330 41.845 42.059 0.194 0.000 0.937 158 L HN 0.325 nan 8.230 nan 0.000 0.450 159 E N -0.032 120.315 120.200 0.245 0.000 2.268 159 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 159 E C 1.461 178.359 176.600 0.497 0.000 0.995 159 E CA 0.596 57.226 56.400 0.384 0.000 0.836 159 E CB 0.202 30.047 29.700 0.242 0.000 0.763 159 E HN 0.256 nan 8.360 nan 0.000 0.491 160 K N 0.276 120.878 120.400 0.337 0.000 2.404 160 K HA 0.129 4.449 4.320 -0.000 0.000 0.194 160 K C -0.011 176.966 176.600 0.629 0.000 1.023 160 K CA 0.147 56.646 56.287 0.354 0.000 1.094 160 K CB 0.714 33.336 32.500 0.204 0.000 0.841 160 K HN -0.065 nan 8.250 nan 0.000 0.523 161 V N 0.671 120.851 119.914 0.443 0.000 2.417 161 V HA 0.594 4.714 4.120 -0.000 0.000 0.291 161 V C 0.525 176.214 176.094 -0.674 0.000 1.024 161 V CA -0.945 61.404 62.300 0.081 0.000 0.861 161 V CB 1.547 33.487 31.823 0.196 0.000 0.985 161 V HN 0.238 nan 8.190 nan 0.000 0.436 162 G N 3.066 111.211 108.800 -1.092 0.000 2.735 162 G HA2 0.772 4.732 3.960 -0.000 0.000 0.301 162 G HA3 0.772 4.732 3.960 -0.000 0.000 0.301 162 G C -1.941 172.142 174.900 -1.360 0.000 1.279 162 G CA -0.572 43.525 45.100 -1.670 0.000 1.019 162 G HN 0.482 nan 8.290 nan 0.000 0.497 163 Y N -0.807 119.352 120.300 -0.235 0.000 2.492 163 Y HA 0.526 5.076 4.550 -0.000 0.000 0.346 163 Y C -1.014 175.025 175.900 0.232 0.000 0.997 163 Y CA -1.167 56.961 58.100 0.046 0.000 1.025 163 Y CB 2.944 41.433 38.460 0.047 0.000 1.263 163 Y HN 0.441 nan 8.280 nan 0.000 0.454 164 D N 2.220 122.944 120.400 0.541 0.000 2.402 164 D HA 0.289 4.929 4.640 -0.000 0.000 0.252 164 D C -1.812 174.891 176.300 0.672 0.000 1.294 164 D CA -0.479 53.890 54.000 0.614 0.000 0.948 164 D CB 0.539 41.708 40.800 0.616 0.000 1.202 164 D HN 0.197 nan 8.370 nan 0.000 0.561 165 F N 2.321 122.445 119.950 0.290 0.000 2.350 165 F HA 0.362 4.889 4.527 -0.000 0.000 0.365 165 F C 0.797 176.626 175.800 0.048 0.000 1.122 165 F CA -1.085 56.919 58.000 0.007 0.000 1.139 165 F CB 0.706 39.499 39.000 -0.344 0.000 1.220 165 F HN 0.056 nan 8.300 nan 0.000 0.499 166 S N 0.923 116.739 115.700 0.194 0.000 2.621 166 S HA 0.885 5.355 4.470 -0.000 0.000 0.302 166 S C 0.351 174.978 174.600 0.045 0.000 1.093 166 S CA -0.444 57.827 58.200 0.118 0.000 1.017 166 S CB 1.713 64.963 63.200 0.083 0.000 1.077 166 S HN 1.147 nan 8.310 nan 0.000 0.517 167 G N 1.676 110.518 108.800 0.070 0.000 2.692 167 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.248 167 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.248 167 G C -2.975 171.908 174.900 -0.029 0.000 1.340 167 G CA -0.448 44.701 45.100 0.080 0.000 0.896 167 G HN 0.704 nan 8.290 nan 0.000 0.570 168 P HA 0.163 nan 4.420 nan 0.000 0.273 168 P C 0.129 177.513 177.300 0.141 0.000 1.250 168 P CA 0.003 63.103 63.100 -0.001 0.000 0.793 168 P CB 0.340 31.989 31.700 -0.085 0.000 1.011 169 Y N -0.985 119.215 120.300 -0.167 0.000 2.544 169 Y HA 0.134 4.684 4.550 -0.000 0.000 0.286 169 Y C 1.103 176.885 175.900 -0.197 0.000 1.141 169 Y CA -0.131 57.853 58.100 -0.193 0.000 1.299 169 Y CB 0.303 38.629 38.460 -0.222 0.000 1.030 169 Y HN -0.025 nan 8.280 nan 0.000 0.543 170 L N 0.233 121.454 121.223 -0.003 0.000 2.362 170 L HA 0.304 4.644 4.340 -0.000 0.000 0.271 170 L C -1.862 174.978 176.870 -0.050 0.000 1.002 170 L CA -1.973 52.837 54.840 -0.051 0.000 0.818 170 L CB 1.684 43.708 42.059 -0.059 0.000 1.298 170 L HN -0.179 nan 8.230 nan 0.000 0.420 171 P HA 0.006 nan 4.420 nan 0.000 0.233 171 P C 0.043 177.305 177.300 -0.063 0.000 1.167 171 P CA 0.615 63.685 63.100 -0.050 0.000 0.770 171 P CB 0.460 32.139 31.700 -0.034 0.000 0.837 172 S N -1.259 114.405 115.700 -0.060 0.000 2.533 172 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 172 S C -1.027 173.530 174.600 -0.071 0.000 1.143 172 S CA -0.828 57.334 58.200 -0.064 0.000 0.891 172 S CB 0.491 63.678 63.200 -0.021 0.000 1.105 172 S HN -0.065 nan 8.310 nan 0.000 0.468 173 L N 5.451 126.610 121.223 -0.106 0.000 2.559 173 L HA 0.257 4.597 4.340 -0.000 0.000 0.282 173 L C -1.682 175.163 176.870 -0.042 0.000 1.232 173 L CA -0.937 53.832 54.840 -0.118 0.000 0.885 173 L CB 0.507 42.474 42.059 -0.153 0.000 1.131 173 L HN 0.505 nan 8.230 nan 0.000 0.498 174 P HA 0.065 nan 4.420 nan 0.000 0.269 174 P C -0.679 176.640 177.300 0.033 0.000 1.209 174 P CA -0.435 62.670 63.100 0.009 0.000 0.776 174 P CB 0.388 32.100 31.700 0.021 0.000 0.876 175 T N -0.200 114.381 114.554 0.045 0.000 2.860 175 T HA 0.048 4.398 4.350 -0.000 0.000 0.299 175 T C 1.398 176.165 174.700 0.111 0.000 1.045 175 T CA -0.676 61.465 62.100 0.068 0.000 1.071 175 T CB 0.245 69.149 68.868 0.061 0.000 0.985 175 T HN 0.084 nan 8.240 nan 0.000 0.537 176 L N 0.912 122.226 121.223 0.150 0.000 2.043 176 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 176 L C 2.307 179.331 176.870 0.257 0.000 1.075 176 L CA 1.935 56.933 54.840 0.263 0.000 0.752 176 L CB -1.331 40.887 42.059 0.266 0.000 0.891 176 L HN 0.964 nan 8.230 nan 0.000 0.432 177 D N -1.246 119.256 120.400 0.170 0.000 2.097 177 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 177 D C 2.151 178.481 176.300 0.051 0.000 0.984 177 D CA 1.303 55.374 54.000 0.118 0.000 0.826 177 D CB 0.065 40.915 40.800 0.082 0.000 0.973 177 D HN 0.329 nan 8.370 nan 0.000 0.460 178 A N -0.638 122.208 122.820 0.045 0.000 1.933 178 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 178 A C 2.333 179.925 177.584 0.013 0.000 1.175 178 A CA 2.142 54.188 52.037 0.016 0.000 0.628 178 A CB -0.986 18.026 19.000 0.020 0.000 0.814 178 A HN 0.313 nan 8.150 nan 0.000 0.444 179 T N -1.437 113.148 114.554 0.052 0.000 2.708 179 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 179 T C 1.795 176.471 174.700 -0.040 0.000 1.037 179 T CA 1.629 63.755 62.100 0.043 0.000 1.146 179 T CB -0.505 68.480 68.868 0.196 0.000 0.865 179 T HN 0.761 nan 8.240 nan 0.000 0.435 180 H N 0.783 119.674 119.070 -0.298 0.000 2.289 180 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 180 H C 2.353 177.505 175.328 -0.293 0.000 1.091 180 H CA 1.210 56.863 56.048 -0.658 0.000 1.274 180 H CB 0.220 29.478 29.762 -0.839 0.000 1.364 180 H HN 0.178 nan 8.280 nan 0.000 0.490 181 E N 0.381 120.516 120.200 -0.108 0.000 2.153 181 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 181 E C 2.330 178.855 176.600 -0.125 0.000 0.988 181 E CA 0.822 57.133 56.400 -0.148 0.000 0.811 181 E CB -0.408 29.216 29.700 -0.127 0.000 0.746 181 E HN 0.586 nan 8.360 nan 0.000 0.466 182 A N 0.490 123.264 122.820 -0.076 0.000 1.902 182 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 182 A C 1.999 179.617 177.584 0.056 0.000 1.181 182 A CA 1.253 53.287 52.037 -0.005 0.000 0.623 182 A CB -0.792 18.288 19.000 0.133 0.000 0.818 182 A HN 0.213 nan 8.150 nan 0.000 0.443 183 Y N 0.395 120.686 120.300 -0.015 0.000 2.181 183 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 183 Y C 2.402 178.215 175.900 -0.145 0.000 1.146 183 Y CA 1.608 59.584 58.100 -0.207 0.000 1.164 183 Y CB -0.344 37.936 38.460 -0.300 0.000 0.982 183 Y HN 0.249 nan 8.280 nan 0.000 0.515 184 K N 0.428 120.833 120.400 0.008 0.000 2.044 184 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 184 K C 1.963 178.495 176.600 -0.112 0.000 1.049 184 K CA 1.914 58.155 56.287 -0.077 0.000 0.927 184 K CB -0.295 32.119 32.500 -0.143 0.000 0.713 184 K HN 0.322 nan 8.250 nan 0.000 0.443 185 K N 0.197 120.473 120.400 -0.206 0.000 2.152 185 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 185 K C 1.969 178.473 176.600 -0.160 0.000 1.048 185 K CA 1.257 57.321 56.287 -0.372 0.000 0.933 185 K CB -0.073 31.817 32.500 -1.016 0.000 0.721 185 K HN 0.154 nan 8.250 nan 0.000 0.447 186 A N 0.425 123.259 122.820 0.022 0.000 2.208 186 A HA 0.178 4.498 4.320 -0.000 0.000 0.209 186 A C 1.283 178.892 177.584 0.041 0.000 1.161 186 A CA 0.719 52.862 52.037 0.177 0.000 0.782 186 A CB -0.213 19.005 19.000 0.364 0.000 0.816 186 A HN 0.384 nan 8.150 nan 0.000 0.477 187 G N -0.955 107.835 108.800 -0.016 0.000 2.246 187 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.273 187 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.273 187 G C -0.044 174.795 174.900 -0.102 0.000 1.055 187 G CA 0.260 45.333 45.100 -0.045 0.000 0.851 187 G HN 0.800 nan 8.290 nan 0.000 0.500 188 V N 1.131 120.966 119.914 -0.133 0.000 2.328 188 V HA 0.457 4.577 4.120 -0.000 0.000 0.278 188 V C 0.550 176.552 176.094 -0.154 0.000 1.021 188 V CA 0.251 62.405 62.300 -0.244 0.000 0.838 188 V CB 1.585 33.162 31.823 -0.411 0.000 0.999 188 V HN 0.507 nan 8.190 nan 0.000 0.447 189 D N 2.444 122.759 120.400 -0.142 0.000 2.479 189 D HA 0.431 5.070 4.640 -0.000 0.000 0.218 189 D C 0.483 176.748 176.300 -0.059 0.000 1.177 189 D CA 0.211 54.170 54.000 -0.068 0.000 0.830 189 D CB 1.076 41.854 40.800 -0.036 0.000 1.014 189 D HN 0.627 nan 8.370 nan 0.000 0.503 190 G N -1.079 107.646 108.800 -0.124 0.000 2.495 190 G HA2 0.393 4.353 3.960 -0.000 0.000 0.294 190 G HA3 0.393 4.353 3.960 -0.000 0.000 0.294 190 G C -0.863 174.031 174.900 -0.010 0.000 1.397 190 G CA -0.775 44.319 45.100 -0.010 0.000 0.790 190 G HN 0.245 nan 8.290 nan 0.000 0.486 191 H N -1.583 117.416 119.070 -0.118 0.000 2.880 191 H HA -0.159 4.397 4.556 -0.000 0.000 0.304 191 H C -0.198 174.971 175.328 -0.264 0.000 1.259 191 H CA 0.533 56.285 56.048 -0.494 0.000 1.153 191 H CB -1.481 27.549 29.762 -1.220 0.000 1.395 191 H HN 0.378 nan 8.280 nan 0.000 0.420 192 I N 0.926 121.553 120.570 0.094 0.000 2.354 192 I HA 0.208 4.377 4.170 -0.000 0.000 0.292 192 I C -0.019 176.297 176.117 0.333 0.000 0.989 192 I CA -0.293 61.013 61.300 0.009 0.000 1.188 192 I CB 0.736 38.535 38.000 -0.335 0.000 1.342 192 I HN 0.056 nan 8.210 nan 0.000 0.457 193 W N 6.864 128.193 121.300 0.048 0.000 2.666 193 W HA 0.646 5.306 4.660 -0.000 0.000 0.334 193 W C -0.838 175.865 176.519 0.306 0.000 1.051 193 W CA -0.759 56.667 57.345 0.135 0.000 1.224 193 W CB 1.517 31.013 29.460 0.061 0.000 1.405 193 W HN 0.203 nan 8.180 nan 0.000 0.513 194 L N 3.432 124.928 121.223 0.454 0.000 2.362 194 L HA 0.663 5.003 4.340 -0.000 0.000 0.275 194 L C -0.084 177.009 176.870 0.371 0.000 0.998 194 L CA -0.311 54.762 54.840 0.390 0.000 0.820 194 L CB 1.245 43.418 42.059 0.191 0.000 1.270 194 L HN 0.418 nan 8.230 nan 0.000 0.415 195 S N 2.646 118.477 115.700 0.218 0.000 2.565 195 S HA 0.651 5.121 4.470 -0.000 0.000 0.290 195 S C -0.999 173.609 174.600 0.013 0.000 1.150 195 S CA -0.844 57.299 58.200 -0.094 0.000 1.058 195 S CB 2.011 65.114 63.200 -0.161 0.000 1.032 195 S HN 0.710 nan 8.310 nan 0.000 0.510 196 D N -0.804 119.619 120.400 0.037 0.000 2.661 196 D HA 0.541 5.180 4.640 -0.000 0.000 0.228 196 D C 0.445 176.617 176.300 -0.214 0.000 1.210 196 D CA 0.181 54.186 54.000 0.009 0.000 0.826 196 D CB 1.838 42.736 40.800 0.163 0.000 1.542 196 D HN 0.920 nan 8.370 nan 0.000 0.447 197 G N 1.471 110.093 108.800 -0.296 0.000 2.296 197 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.188 197 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.188 197 G C 0.887 175.601 174.900 -0.310 0.000 1.000 197 G CA 0.283 45.001 45.100 -0.637 0.000 0.672 197 G HN 0.447 nan 8.290 nan 0.000 0.483 198 L N 1.561 122.693 121.223 -0.151 0.000 2.253 198 L HA 0.218 4.558 4.340 -0.000 0.000 0.205 198 L C 1.445 178.343 176.870 0.046 0.000 1.078 198 L CA 1.357 56.172 54.840 -0.042 0.000 0.805 198 L CB -0.094 41.911 42.059 -0.089 0.000 0.963 198 L HN 0.224 nan 8.230 nan 0.000 0.459 199 T N 2.172 116.768 114.554 0.071 0.000 2.758 199 T HA 0.033 4.383 4.350 -0.000 0.000 0.281 199 T C 0.166 174.941 174.700 0.124 0.000 0.963 199 T CA 0.082 62.253 62.100 0.119 0.000 1.201 199 T CB -0.264 68.567 68.868 -0.062 0.000 0.906 199 T HN 0.369 nan 8.240 nan 0.000 0.528 200 N N 1.144 119.955 118.700 0.185 0.000 2.453 200 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 200 N C 0.376 175.974 175.510 0.147 0.000 1.482 200 N CA -0.790 52.342 53.050 0.137 0.000 0.841 200 N CB -0.687 37.860 38.487 0.100 0.000 1.408 200 N HN 0.569 nan 8.380 nan 0.000 0.490 201 F N -0.246 119.709 119.950 0.008 0.000 2.722 201 F HA 0.346 4.873 4.527 -0.000 0.000 0.298 201 F C 0.303 176.102 175.800 -0.001 0.000 1.175 201 F CA -0.202 57.803 58.000 0.008 0.000 1.462 201 F CB -0.158 38.847 39.000 0.008 0.000 1.111 201 F HN 0.083 nan 8.300 nan 0.000 0.592 202 S N 0.177 115.551 115.700 -0.543 0.000 2.689 202 S HA 0.329 4.799 4.470 -0.000 0.000 0.151 202 S C -2.033 172.391 174.600 -0.294 0.000 1.155 202 S CA -0.859 57.003 58.200 -0.564 0.000 1.144 202 S CB 0.170 62.760 63.200 -1.017 0.000 1.526 202 S HN -0.124 nan 8.310 nan 0.000 0.419 203 P HA -0.189 nan 4.420 nan 0.000 0.217 203 P C 1.673 178.928 177.300 -0.076 0.000 1.158 203 P CA 1.649 64.703 63.100 -0.076 0.000 0.887 203 P CB -0.081 31.591 31.700 -0.047 0.000 0.792 204 L N -3.520 117.648 121.223 -0.092 0.000 2.044 204 L HA 0.097 4.437 4.340 -0.000 0.000 0.205 204 L C 2.474 179.297 176.870 -0.077 0.000 1.075 204 L CA 2.213 57.010 54.840 -0.071 0.000 0.747 204 L CB -2.126 39.894 42.059 -0.064 0.000 0.903 204 L HN -0.092 nan 8.230 nan 0.000 0.435 205 G N 0.387 109.114 108.800 -0.121 0.000 2.469 205 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 205 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 205 G C 1.109 175.962 174.900 -0.079 0.000 1.150 205 G CA 1.187 46.218 45.100 -0.115 0.000 0.763 205 G HN 0.486 nan 8.290 nan 0.000 0.561 206 D N 0.094 120.440 120.400 -0.090 0.000 2.117 206 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 206 D C 2.415 178.719 176.300 0.007 0.000 0.982 206 D CA 0.504 54.490 54.000 -0.022 0.000 0.828 206 D CB -0.312 40.488 40.800 0.000 0.000 0.967 206 D HN 0.096 nan 8.370 nan 0.000 0.464 207 M N 1.074 120.668 119.600 -0.009 0.000 2.080 207 M HA -0.113 4.367 4.480 -0.000 0.000 0.260 207 M C 2.107 178.405 176.300 -0.003 0.000 1.068 207 M CA 1.212 56.509 55.300 -0.005 0.000 1.109 207 M CB -0.841 31.749 32.600 -0.017 0.000 1.342 207 M HN 0.008 nan 8.290 nan 0.000 0.405 208 A N -0.599 122.214 122.820 -0.011 0.000 1.902 208 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 208 A C 2.283 179.871 177.584 0.006 0.000 1.181 208 A CA 1.964 53.998 52.037 -0.005 0.000 0.623 208 A CB -0.709 18.284 19.000 -0.012 0.000 0.818 208 A HN 0.539 nan 8.150 nan 0.000 0.443 209 R N -0.925 119.581 120.500 0.010 0.000 2.094 209 R HA -0.175 4.164 4.340 -0.000 0.000 0.239 209 R C 2.057 178.377 176.300 0.034 0.000 1.137 209 R CA 1.892 58.006 56.100 0.024 0.000 0.943 209 R CB -0.484 29.831 30.300 0.025 0.000 0.850 209 R HN 0.438 nan 8.270 nan 0.000 0.433 210 L N 1.329 122.578 121.223 0.042 0.000 2.017 210 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 210 L C 1.807 178.693 176.870 0.026 0.000 1.073 210 L CA 1.894 56.765 54.840 0.053 0.000 0.745 210 L CB -0.436 41.664 42.059 0.069 0.000 0.894 210 L HN 0.091 nan 8.230 nan 0.000 0.432 211 K N -0.243 120.165 120.400 0.014 0.000 2.063 211 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 211 K C 2.061 178.665 176.600 0.007 0.000 1.048 211 K CA 1.741 58.032 56.287 0.007 0.000 0.928 211 K CB -0.360 32.142 32.500 0.003 0.000 0.713 211 K HN 0.552 nan 8.250 nan 0.000 0.442 212 E N 0.597 120.805 120.200 0.012 0.000 2.085 212 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 212 E C 1.914 178.517 176.600 0.005 0.000 0.994 212 E CA 1.178 57.587 56.400 0.015 0.000 0.801 212 E CB 0.014 29.730 29.700 0.026 0.000 0.743 212 E HN 0.272 nan 8.360 nan 0.000 0.453 213 A N 0.859 123.682 122.820 0.005 0.000 1.898 213 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 213 A C 2.147 179.701 177.584 -0.051 0.000 1.181 213 A CA 1.187 53.210 52.037 -0.023 0.000 0.620 213 A CB -0.537 18.467 19.000 0.006 0.000 0.819 213 A HN 0.292 nan 8.150 nan 0.000 0.442 214 I N -0.441 120.116 120.570 -0.022 0.000 2.179 214 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 214 I C 2.519 178.619 176.117 -0.028 0.000 1.088 214 I CA 1.850 63.136 61.300 -0.022 0.000 1.357 214 I CB -0.183 37.816 38.000 -0.001 0.000 1.051 214 I HN 0.378 nan 8.210 nan 0.000 0.409 215 K N 0.475 120.864 120.400 -0.018 0.000 1.991 215 K HA -0.260 4.060 4.320 -0.000 0.000 0.212 215 K C 2.387 178.967 176.600 -0.033 0.000 1.049 215 K CA 2.106 58.384 56.287 -0.015 0.000 0.932 215 K CB -0.282 32.217 32.500 -0.002 0.000 0.717 215 K HN 0.173 nan 8.250 nan 0.000 0.441 216 S N 0.669 116.339 115.700 -0.049 0.000 2.372 216 S HA -0.249 4.221 4.470 -0.000 0.000 0.227 216 S C 2.124 176.630 174.600 -0.158 0.000 1.044 216 S CA 1.849 59.995 58.200 -0.089 0.000 1.050 216 S CB -0.418 62.709 63.200 -0.121 0.000 0.901 216 S HN 0.452 nan 8.310 nan 0.000 0.447 217 R N 0.415 120.807 120.500 -0.180 0.000 2.096 217 R HA -0.126 4.214 4.340 -0.000 0.000 0.240 217 R C 0.767 177.006 176.300 -0.102 0.000 1.139 217 R CA 2.098 58.091 56.100 -0.179 0.000 0.952 217 R CB -0.433 29.785 30.300 -0.137 0.000 0.854 217 R HN 0.411 nan 8.270 nan 0.000 0.436 218 D N 0.273 120.637 120.400 -0.061 0.000 2.340 218 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 218 D C 0.219 176.501 176.300 -0.029 0.000 1.081 218 D CA 0.257 54.236 54.000 -0.035 0.000 0.842 218 D CB 0.542 41.334 40.800 -0.014 0.000 0.934 218 D HN 0.253 nan 8.370 nan 0.000 0.511 219 S N -0.520 115.162 115.700 -0.030 0.000 2.652 219 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 219 S C 1.660 176.258 174.600 -0.003 0.000 1.243 219 S CA -0.208 57.985 58.200 -0.011 0.000 0.999 219 S CB 2.163 65.364 63.200 0.001 0.000 0.973 219 S HN 0.027 nan 8.310 nan 0.000 0.544 220 A N 2.173 124.999 122.820 0.009 0.000 1.882 220 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 220 A C 1.809 179.410 177.584 0.028 0.000 1.253 220 A CA 2.329 54.376 52.037 0.016 0.000 0.664 220 A CB -1.412 17.602 19.000 0.022 0.000 0.838 220 A HN 1.065 nan 8.150 nan 0.000 0.460 221 N N 0.341 119.071 118.700 0.050 0.000 2.279 221 N HA 0.224 4.964 4.740 -0.000 0.000 0.226 221 N C 0.592 176.166 175.510 0.106 0.000 1.126 221 N CA 0.559 53.657 53.050 0.080 0.000 0.846 221 N CB -0.886 37.662 38.487 0.102 0.000 1.050 221 N HN 0.447 nan 8.380 nan 0.000 0.502 222 G N 0.684 109.510 108.800 0.043 0.000 2.568 222 G HA2 0.122 4.082 3.960 -0.000 0.000 0.231 222 G HA3 0.122 4.082 3.960 -0.000 0.000 0.231 222 G C 0.334 175.231 174.900 -0.005 0.000 1.261 222 G CA -0.114 44.968 45.100 -0.029 0.000 0.855 222 G HN 0.428 nan 8.290 nan 0.000 0.576 223 F N -0.334 119.501 119.950 -0.192 0.000 2.680 223 F HA 0.437 4.964 4.527 -0.000 0.000 0.290 223 F C 0.913 176.596 175.800 -0.195 0.000 1.114 223 F CA -0.852 56.999 58.000 -0.249 0.000 1.333 223 F CB -0.042 38.616 39.000 -0.570 0.000 1.091 223 F HN 0.161 nan 8.300 nan 0.000 0.606 224 I N 3.024 123.087 120.570 -0.845 0.000 2.587 224 I HA 0.024 4.194 4.170 -0.000 0.000 0.284 224 I C 0.321 176.295 176.117 -0.238 0.000 1.134 224 I CA 0.410 61.409 61.300 -0.502 0.000 1.410 224 I CB 0.565 38.240 38.000 -0.542 0.000 1.392 224 I HN 0.291 nan 8.210 nan 0.000 0.545 225 N N 4.609 123.236 118.700 -0.122 0.000 2.305 225 N HA 0.052 4.792 4.740 -0.000 0.000 0.179 225 N C -0.169 175.204 175.510 -0.229 0.000 1.019 225 N CA 0.651 53.652 53.050 -0.080 0.000 0.869 225 N CB 0.303 38.841 38.487 0.085 0.000 1.000 225 N HN 0.434 nan 8.380 nan 0.000 0.431 226 K N 0.640 120.773 120.400 -0.445 0.000 2.435 226 K HA 0.474 4.794 4.320 -0.000 0.000 0.251 226 K C -1.207 175.093 176.600 -0.500 0.000 0.954 226 K CA -0.436 55.402 56.287 -0.749 0.000 0.820 226 K CB 2.651 34.069 32.500 -1.803 0.000 1.292 226 K HN -0.056 nan 8.250 nan 0.000 0.436 227 I N 2.622 123.004 120.570 -0.314 0.000 2.436 227 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 227 I C -0.802 175.346 176.117 0.052 0.000 1.010 227 I CA -1.093 60.184 61.300 -0.039 0.000 1.098 227 I CB 1.286 39.281 38.000 -0.009 0.000 1.266 227 I HN 0.528 nan 8.210 nan 0.000 0.434 228 Y N 4.362 124.636 120.300 -0.042 0.000 2.446 228 Y HA 0.629 5.179 4.550 -0.000 0.000 0.345 228 Y C -1.525 174.484 175.900 0.181 0.000 0.984 228 Y CA -1.349 56.771 58.100 0.034 0.000 1.058 228 Y CB 1.330 39.820 38.460 0.049 0.000 1.220 228 Y HN 0.470 nan 8.280 nan 0.000 0.455 229 Y N 3.368 123.690 120.300 0.037 0.000 2.331 229 Y HA 0.441 4.991 4.550 -0.000 0.000 0.338 229 Y C -1.614 174.277 175.900 -0.016 0.000 0.992 229 Y CA -1.535 56.587 58.100 0.036 0.000 1.121 229 Y CB 0.880 39.358 38.460 0.031 0.000 1.184 229 Y HN 0.764 nan 8.280 nan 0.000 0.469 230 W N 4.655 125.572 121.300 -0.638 0.000 2.335 230 W HA 0.649 5.309 4.660 -0.000 0.000 0.307 230 W C -0.616 175.417 176.519 -0.810 0.000 1.117 230 W CA -0.477 56.551 57.345 -0.528 0.000 1.228 230 W CB 1.488 30.702 29.460 -0.410 0.000 1.240 230 W HN 0.385 nan 8.180 nan 0.000 0.468 231 S N 1.560 117.171 115.700 -0.149 0.000 2.562 231 S HA 0.529 4.998 4.470 -0.000 0.000 0.274 231 S C -1.283 173.383 174.600 0.111 0.000 1.160 231 S CA -0.854 57.323 58.200 -0.038 0.000 0.933 231 S CB 1.343 64.431 63.200 -0.187 0.000 1.100 231 S HN 0.134 nan 8.310 nan 0.000 0.468 232 V N 2.546 122.539 119.914 0.131 0.000 2.378 232 V HA 0.540 4.660 4.120 -0.000 0.000 0.288 232 V C -0.467 175.705 176.094 0.130 0.000 1.016 232 V CA -0.607 61.785 62.300 0.154 0.000 0.840 232 V CB 1.649 33.557 31.823 0.142 0.000 0.994 232 V HN 0.834 nan 8.190 nan 0.000 0.431 233 D N 1.783 122.278 120.400 0.158 0.000 2.479 233 D HA 0.183 4.823 4.640 -0.000 0.000 0.216 233 D C 0.512 176.904 176.300 0.154 0.000 1.110 233 D CA 0.258 54.408 54.000 0.250 0.000 0.841 233 D CB 0.943 41.981 40.800 0.398 0.000 1.040 233 D HN 0.491 nan 8.370 nan 0.000 0.505 234 K N 0.377 120.824 120.400 0.079 0.000 2.166 234 K HA 0.363 4.682 4.320 -0.000 0.000 0.245 234 K C 1.075 177.669 176.600 -0.010 0.000 0.967 234 K CA -0.670 55.630 56.287 0.023 0.000 0.863 234 K CB 2.932 35.440 32.500 0.013 0.000 1.107 234 K HN -0.330 nan 8.250 nan 0.000 0.436 235 V N 1.106 120.999 119.914 -0.036 0.000 2.255 235 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 235 V C 2.371 178.410 176.094 -0.093 0.000 1.051 235 V CA 2.562 64.818 62.300 -0.074 0.000 1.018 235 V CB -0.698 31.080 31.823 -0.075 0.000 0.641 235 V HN 0.996 nan 8.190 nan 0.000 0.445 236 S N 1.156 116.819 115.700 -0.062 0.000 2.365 236 S HA -0.286 4.184 4.470 -0.000 0.000 0.225 236 S C 2.072 176.637 174.600 -0.060 0.000 1.039 236 S CA 2.209 60.377 58.200 -0.054 0.000 1.033 236 S CB -1.261 61.921 63.200 -0.030 0.000 0.887 236 S HN 0.774 nan 8.310 nan 0.000 0.447 237 T N -0.713 113.814 114.554 -0.044 0.000 2.821 237 T HA -0.059 4.290 4.350 -0.000 0.000 0.267 237 T C 1.902 176.557 174.700 -0.075 0.000 1.046 237 T CA 1.646 63.719 62.100 -0.045 0.000 1.139 237 T CB -1.413 67.458 68.868 0.005 0.000 0.871 237 T HN 0.441 nan 8.240 nan 0.000 0.454 238 T N 1.955 116.465 114.554 -0.074 0.000 2.746 238 T HA -0.029 4.320 4.350 -0.000 0.000 0.267 238 T C 1.975 176.571 174.700 -0.174 0.000 1.039 238 T CA 1.288 63.325 62.100 -0.104 0.000 1.142 238 T CB -0.224 68.587 68.868 -0.095 0.000 0.866 238 T HN 0.491 nan 8.240 nan 0.000 0.444 239 K N 1.126 121.395 120.400 -0.219 0.000 2.057 239 K HA 0.035 4.355 4.320 -0.000 0.000 0.207 239 K C 2.726 179.306 176.600 -0.034 0.000 1.049 239 K CA 1.145 57.285 56.287 -0.246 0.000 0.931 239 K CB -0.326 31.994 32.500 -0.300 0.000 0.714 239 K HN 0.277 nan 8.250 nan 0.000 0.440 240 A N 1.721 124.503 122.820 -0.062 0.000 1.883 240 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 240 A C 2.403 179.915 177.584 -0.120 0.000 1.186 240 A CA 2.113 54.111 52.037 -0.064 0.000 0.624 240 A CB -0.780 18.167 19.000 -0.089 0.000 0.822 240 A HN 0.358 nan 8.150 nan 0.000 0.444 241 A N -0.454 122.257 122.820 -0.183 0.000 1.898 241 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 241 A C 2.194 179.664 177.584 -0.190 0.000 1.181 241 A CA 1.423 53.324 52.037 -0.227 0.000 0.620 241 A CB -0.616 18.248 19.000 -0.226 0.000 0.819 241 A HN 0.471 nan 8.150 nan 0.000 0.442 242 L N -0.335 120.745 121.223 -0.238 0.000 2.012 242 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 242 L C 2.121 178.797 176.870 -0.323 0.000 1.073 242 L CA 1.695 56.242 54.840 -0.489 0.000 0.748 242 L CB -0.709 40.936 42.059 -0.690 0.000 0.891 242 L HN 0.333 nan 8.230 nan 0.000 0.431 243 D N -0.708 119.676 120.400 -0.027 0.000 2.178 243 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 243 D C 2.164 178.496 176.300 0.054 0.000 0.974 243 D CA 0.974 55.043 54.000 0.116 0.000 0.841 243 D CB -0.153 40.733 40.800 0.144 0.000 0.953 243 D HN 0.130 nan 8.370 nan 0.000 0.478 244 V N -0.022 119.883 119.914 -0.015 0.000 2.913 244 V HA 0.028 4.148 4.120 -0.000 0.000 0.260 244 V C 1.319 177.413 176.094 0.000 0.000 1.098 244 V CA 1.700 63.988 62.300 -0.020 0.000 1.121 244 V CB -0.200 31.583 31.823 -0.067 0.000 0.714 244 V HN 0.451 nan 8.190 nan 0.000 0.487 245 G N -0.092 108.705 108.800 -0.005 0.000 2.145 245 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.176 245 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.176 245 G C 0.062 174.965 174.900 0.004 0.000 1.013 245 G CA 0.142 45.264 45.100 0.037 0.000 0.689 245 G HN 1.368 nan 8.290 nan 0.000 0.506 246 V N -2.458 117.432 119.914 -0.040 0.000 3.003 246 V HA 0.598 4.718 4.120 -0.000 0.000 0.305 246 V C 1.006 177.074 176.094 -0.043 0.000 1.078 246 V CA 0.518 62.802 62.300 -0.026 0.000 1.083 246 V CB 1.352 33.181 31.823 0.009 0.000 1.039 246 V HN 0.106 nan 8.190 nan 0.000 0.481 247 D N 2.087 122.453 120.400 -0.056 0.000 2.327 247 D HA 0.216 4.856 4.640 -0.000 0.000 0.205 247 D C 0.786 177.114 176.300 0.047 0.000 0.989 247 D CA 1.346 55.317 54.000 -0.049 0.000 0.873 247 D CB 0.872 41.547 40.800 -0.207 0.000 0.955 247 D HN 0.869 nan 8.370 nan 0.000 0.515 248 G N 0.733 109.554 108.800 0.036 0.000 2.662 248 G HA2 0.517 4.477 3.960 -0.000 0.000 0.302 248 G HA3 0.517 4.477 3.960 -0.000 0.000 0.302 248 G C -0.928 174.079 174.900 0.178 0.000 1.389 248 G CA -0.396 44.803 45.100 0.164 0.000 0.998 248 G HN -0.094 nan 8.290 nan 0.000 0.502 249 I N 2.665 123.326 120.570 0.153 0.000 2.382 249 I HA 0.309 4.479 4.170 -0.000 0.000 0.285 249 I C 0.068 176.229 176.117 0.072 0.000 1.007 249 I CA -0.609 60.755 61.300 0.106 0.000 1.142 249 I CB 1.518 39.552 38.000 0.057 0.000 1.289 249 I HN 0.522 nan 8.210 nan 0.000 0.453 250 M N 6.268 125.855 119.600 -0.022 0.000 2.185 250 M HA 0.376 4.856 4.480 -0.000 0.000 0.357 250 M C -0.292 175.935 176.300 -0.122 0.000 1.260 250 M CA 0.659 55.853 55.300 -0.177 0.000 1.124 250 M CB 0.925 33.151 32.600 -0.624 0.000 1.600 250 M HN 0.700 nan 8.290 nan 0.000 0.467 251 T N 2.618 117.127 114.554 -0.074 0.000 2.889 251 T HA 0.376 4.726 4.350 -0.000 0.000 0.315 251 T C 0.067 174.747 174.700 -0.033 0.000 1.291 251 T CA -0.885 61.202 62.100 -0.022 0.000 1.028 251 T CB 1.102 70.000 68.868 0.051 0.000 1.235 251 T HN 0.819 nan 8.240 nan 0.000 0.491 252 N N 1.478 120.098 118.700 -0.134 0.000 2.463 252 N HA 0.073 4.813 4.740 -0.000 0.000 0.181 252 N C -0.769 174.378 175.510 -0.606 0.000 1.078 252 N CA 0.688 53.501 53.050 -0.394 0.000 0.902 252 N CB 0.247 38.318 38.487 -0.693 0.000 0.970 252 N HN 0.588 nan 8.380 nan 0.000 0.451 253 Y N -0.758 119.659 120.300 0.194 0.000 2.628 253 Y HA 0.362 4.912 4.550 -0.000 0.000 0.354 253 Y C -1.969 173.989 175.900 0.096 0.000 1.061 253 Y CA -2.026 56.150 58.100 0.127 0.000 1.251 253 Y CB 1.568 40.068 38.460 0.067 0.000 1.098 253 Y HN -0.105 nan 8.280 nan 0.000 0.626 254 P HA -0.166 nan 4.420 nan 0.000 0.223 254 P C 1.210 178.565 177.300 0.091 0.000 1.144 254 P CA 1.504 64.684 63.100 0.133 0.000 0.783 254 P CB 0.330 32.114 31.700 0.140 0.000 0.771 255 N N -0.481 118.274 118.700 0.093 0.000 2.223 255 N HA -0.097 4.643 4.740 -0.000 0.000 0.185 255 N C 1.444 176.978 175.510 0.039 0.000 1.016 255 N CA 1.149 54.229 53.050 0.049 0.000 0.863 255 N CB -1.285 37.222 38.487 0.034 0.000 0.983 255 N HN 0.050 nan 8.380 nan 0.000 0.429 256 V N 1.653 121.607 119.914 0.066 0.000 2.255 256 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 256 V C 2.626 178.722 176.094 0.003 0.000 1.051 256 V CA 1.486 63.806 62.300 0.033 0.000 1.018 256 V CB -0.790 31.069 31.823 0.061 0.000 0.641 256 V HN 0.227 nan 8.190 nan 0.000 0.445 257 L N -0.126 121.106 121.223 0.014 0.000 2.042 257 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 257 L C 2.239 179.102 176.870 -0.011 0.000 1.076 257 L CA 1.893 56.726 54.840 -0.012 0.000 0.749 257 L CB -0.698 41.363 42.059 0.003 0.000 0.893 257 L HN 0.163 nan 8.230 nan 0.000 0.432 258 I N -0.013 120.559 120.570 0.003 0.000 2.208 258 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 258 I C 2.599 178.716 176.117 -0.001 0.000 1.097 258 I CA 1.455 62.756 61.300 0.002 0.000 1.363 258 I CB -2.303 35.699 38.000 0.004 0.000 1.051 258 I HN 0.387 nan 8.210 nan 0.000 0.413 259 G N 0.604 109.400 108.800 -0.008 0.000 2.421 259 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 259 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 259 G C 1.870 176.756 174.900 -0.024 0.000 1.171 259 G CA 0.964 46.056 45.100 -0.014 0.000 0.775 259 G HN 0.277 nan 8.290 nan 0.000 0.543 260 V N 1.013 120.893 119.914 -0.056 0.000 2.392 260 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 260 V C 2.890 178.970 176.094 -0.023 0.000 1.059 260 V CA 1.457 63.685 62.300 -0.120 0.000 1.051 260 V CB -0.368 31.320 31.823 -0.225 0.000 0.658 260 V HN 0.354 nan 8.190 nan 0.000 0.455 261 L N -0.691 120.547 121.223 0.026 0.000 2.275 261 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 261 L C 2.319 179.248 176.870 0.098 0.000 1.119 261 L CA 1.351 56.252 54.840 0.100 0.000 0.790 261 L CB -0.489 41.609 42.059 0.066 0.000 0.919 261 L HN 0.285 nan 8.230 nan 0.000 0.443 262 K N -0.184 120.251 120.400 0.058 0.000 2.432 262 K HA 0.018 4.337 4.320 -0.000 0.000 0.196 262 K C 0.277 176.919 176.600 0.070 0.000 1.038 262 K CA 0.230 56.547 56.287 0.051 0.000 0.986 262 K CB 0.138 32.653 32.500 0.026 0.000 0.782 262 K HN 0.337 nan 8.250 nan 0.000 0.485 263 E N 1.181 121.443 120.200 0.104 0.000 2.331 263 E HA 0.098 4.448 4.350 -0.000 0.000 0.272 263 E C -0.566 176.145 176.600 0.184 0.000 1.036 263 E CA -0.301 56.179 56.400 0.133 0.000 0.864 263 E CB 1.181 30.962 29.700 0.135 0.000 1.035 263 E HN -0.006 nan 8.360 nan 0.000 0.408 264 S N 1.194 116.968 115.700 0.124 0.000 2.544 264 S HA 0.211 4.681 4.470 -0.000 0.000 0.290 264 S C 1.077 175.738 174.600 0.101 0.000 1.276 264 S CA 0.612 58.861 58.200 0.081 0.000 1.075 264 S CB 0.555 63.783 63.200 0.047 0.000 0.849 264 S HN 0.878 nan 8.310 nan 0.000 0.494 265 G N 1.884 110.662 108.800 -0.037 0.000 2.176 265 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.232 265 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.232 265 G C 0.216 174.700 174.900 -0.694 0.000 0.986 265 G CA 0.314 45.245 45.100 -0.282 0.000 0.643 265 G HN 0.721 nan 8.290 nan 0.000 0.522 266 Y N -1.078 119.249 120.300 0.044 0.000 2.731 266 Y HA 0.288 4.838 4.550 -0.000 0.000 0.269 266 Y C 2.167 178.097 175.900 0.050 0.000 1.156 266 Y CA 0.352 58.545 58.100 0.154 0.000 1.191 266 Y CB -0.345 38.255 38.460 0.233 0.000 1.382 266 Y HN 0.114 nan 8.280 nan 0.000 0.477 267 N N 0.877 119.658 118.700 0.135 0.000 2.137 267 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 267 N C 0.644 176.134 175.510 -0.034 0.000 1.017 267 N CA 1.883 54.963 53.050 0.051 0.000 0.859 267 N CB -0.166 38.345 38.487 0.040 0.000 1.002 267 N HN 0.388 nan 8.380 nan 0.000 0.428 268 D N -0.518 119.823 120.400 -0.098 0.000 2.339 268 D HA 0.072 4.712 4.640 -0.000 0.000 0.217 268 D C 1.029 177.189 176.300 -0.233 0.000 1.050 268 D CA 0.348 54.268 54.000 -0.132 0.000 0.856 268 D CB 0.493 41.226 40.800 -0.112 0.000 0.922 268 D HN 0.328 nan 8.370 nan 0.000 0.518 269 K N -0.834 119.317 120.400 -0.414 0.000 2.462 269 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 269 K C -0.349 175.807 176.600 -0.740 0.000 1.268 269 K CA 0.227 56.063 56.287 -0.751 0.000 0.933 269 K CB 1.279 32.943 32.500 -1.394 0.000 1.162 269 K HN -0.052 nan 8.250 nan 0.000 0.527 270 Y N 0.842 121.111 120.300 -0.052 0.000 2.553 270 Y HA 0.460 5.010 4.550 -0.000 0.000 0.347 270 Y C -0.567 175.294 175.900 -0.065 0.000 1.019 270 Y CA -1.485 56.569 58.100 -0.077 0.000 1.032 270 Y CB 1.552 40.005 38.460 -0.012 0.000 1.284 270 Y HN -0.119 nan 8.280 nan 0.000 0.466 271 R N 0.581 121.112 120.500 0.052 0.000 2.710 271 R HA 0.685 5.025 4.340 -0.000 0.000 0.270 271 R C -2.141 174.115 176.300 -0.073 0.000 1.021 271 R CA -1.168 54.926 56.100 -0.009 0.000 0.889 271 R CB 1.494 31.771 30.300 -0.039 0.000 1.243 271 R HN 0.565 nan 8.270 nan 0.000 0.464 272 L N 1.999 123.172 121.223 -0.083 0.000 2.462 272 L HA 0.352 4.691 4.340 -0.000 0.000 0.272 272 L C 0.057 176.778 176.870 -0.248 0.000 1.166 272 L CA 0.475 55.227 54.840 -0.148 0.000 0.880 272 L CB 0.793 42.792 42.059 -0.100 0.000 1.142 272 L HN 0.864 nan 8.230 nan 0.000 0.473 273 A N 3.747 126.287 122.820 -0.466 0.000 2.483 273 A HA 0.471 4.791 4.320 -0.000 0.000 0.238 273 A C 0.480 177.803 177.584 -0.436 0.000 1.070 273 A CA 0.409 52.032 52.037 -0.690 0.000 0.770 273 A CB -0.248 17.706 19.000 -1.742 0.000 1.008 273 A HN 0.881 nan 8.150 nan 0.000 0.497 274 T N -1.215 113.170 114.554 -0.282 0.000 2.905 274 T HA 0.406 4.756 4.350 -0.000 0.000 0.283 274 T C 0.751 175.452 174.700 0.002 0.000 1.031 274 T CA -0.076 61.972 62.100 -0.087 0.000 1.002 274 T CB 0.467 69.327 68.868 -0.013 0.000 1.200 274 T HN 0.580 nan 8.240 nan 0.000 0.560 275 Y N 0.575 120.883 120.300 0.012 0.000 2.274 275 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 275 Y C 1.896 177.861 175.900 0.108 0.000 1.145 275 Y CA 1.888 60.051 58.100 0.106 0.000 1.203 275 Y CB -0.417 38.129 38.460 0.142 0.000 0.984 275 Y HN 0.661 nan 8.280 nan 0.000 0.533 276 D N 0.058 120.510 120.400 0.088 0.000 2.371 276 D HA -0.089 4.551 4.640 -0.000 0.000 0.221 276 D C -0.315 175.967 176.300 -0.031 0.000 0.986 276 D CA 0.755 54.766 54.000 0.019 0.000 0.899 276 D CB -0.212 40.633 40.800 0.074 0.000 0.902 276 D HN 0.416 nan 8.370 nan 0.000 0.530 277 D N 1.629 121.999 120.400 -0.051 0.000 2.393 277 D HA -0.006 4.634 4.640 -0.000 0.000 0.232 277 D C 0.289 176.585 176.300 -0.007 0.000 1.192 277 D CA -0.252 53.742 54.000 -0.008 0.000 0.882 277 D CB 0.281 41.035 40.800 -0.076 0.000 1.038 277 D HN -0.082 nan 8.370 nan 0.000 0.499 278 N N 3.866 122.514 118.700 -0.086 0.000 2.414 278 N HA -0.034 4.706 4.740 -0.000 0.000 0.268 278 N C -1.498 173.804 175.510 -0.346 0.000 1.286 278 N CA -1.302 51.566 53.050 -0.302 0.000 0.896 278 N CB 0.932 39.326 38.487 -0.154 0.000 1.093 278 N HN 0.138 nan 8.380 nan 0.000 0.480 279 P HA -0.036 nan 4.420 nan 0.000 0.233 279 P C 0.272 177.360 177.300 -0.353 0.000 1.167 279 P CA 1.034 63.605 63.100 -0.882 0.000 0.770 279 P CB -0.111 30.722 31.700 -1.445 0.000 0.837 280 W N 0.438 121.620 121.300 -0.198 0.000 3.278 280 W HA 0.250 4.910 4.660 -0.000 0.000 0.308 280 W C 0.785 177.286 176.519 -0.030 0.000 1.253 280 W CA -0.729 56.557 57.345 -0.098 0.000 1.759 280 W CB 0.401 29.677 29.460 -0.307 0.000 1.093 280 W HN -0.031 nan 8.180 nan 0.000 0.648 281 E N 1.545 121.805 120.200 0.101 0.000 2.133 281 E HA 0.162 4.512 4.350 -0.000 0.000 0.274 281 E C -0.300 176.340 176.600 0.066 0.000 0.930 281 E CA -0.335 56.117 56.400 0.087 0.000 0.770 281 E CB 1.083 30.823 29.700 0.067 0.000 1.104 281 E HN -0.253 nan 8.360 nan 0.000 0.403 282 T N 4.947 119.534 114.554 0.055 0.000 2.867 282 T HA -0.007 4.343 4.350 -0.000 0.000 0.297 282 T C -0.001 174.751 174.700 0.085 0.000 0.989 282 T CA -0.056 62.068 62.100 0.040 0.000 1.159 282 T CB -0.211 68.659 68.868 0.002 0.000 0.928 282 T HN 0.324 nan 8.240 nan 0.000 0.538 283 F N 3.693 123.635 119.950 -0.013 0.000 2.538 283 F HA 0.231 4.758 4.527 -0.000 0.000 0.371 283 F C 0.534 176.336 175.800 0.004 0.000 1.087 283 F CA -0.493 57.514 58.000 0.012 0.000 1.250 283 F CB 0.306 39.325 39.000 0.032 0.000 1.110 283 F HN 0.380 nan 8.300 nan 0.000 0.570 284 K N 5.878 125.768 120.400 -0.851 0.000 2.334 284 K HA 0.223 4.543 4.320 -0.000 0.000 0.265 284 K C -0.174 175.845 176.600 -0.968 0.000 1.039 284 K CA -0.839 55.048 56.287 -0.666 0.000 0.920 284 K CB 0.469 32.765 32.500 -0.339 0.000 1.160 284 K HN 0.633 nan 8.250 nan 0.000 0.451 285 N N 0.000 118.316 118.700 -0.641 0.000 1.763 285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 285 N CA 0.000 52.839 53.050 -0.352 0.000 0.885 285 N CB 0.000 38.441 38.487 -0.076 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667