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 1qov_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNW TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 0.000 177.608 177.584 0.041 0.000 1.274 1 A CA 0.000 52.053 52.037 0.027 0.000 0.836 1 A CB 0.000 19.015 19.000 0.025 0.000 0.831 2 E N 0.034 120.256 120.200 0.037 0.000 2.349 2 E HA 0.459 4.809 4.350 0.000 0.000 0.265 2 E C -0.665 175.993 176.600 0.096 0.000 1.064 2 E CA -0.532 55.902 56.400 0.056 0.000 0.886 2 E CB 0.658 30.373 29.700 0.025 0.000 1.036 2 E HN 0.687 nan 8.360 nan 0.000 0.413 3 Y N 1.780 122.071 120.300 -0.014 0.000 2.526 3 Y HA -0.033 4.517 4.550 0.000 0.000 0.330 3 Y C 0.542 176.428 175.900 -0.024 0.000 1.156 3 Y CA 0.113 58.208 58.100 -0.009 0.000 1.419 3 Y CB 0.791 39.246 38.460 -0.007 0.000 1.250 3 Y HN 0.505 nan 8.280 nan 0.000 0.540 4 Q N 3.700 123.191 119.800 -0.515 0.000 2.356 4 Q HA -0.013 4.327 4.340 0.000 0.000 0.205 4 Q C 0.359 175.955 176.000 -0.674 0.000 0.901 4 Q CA 0.395 55.912 55.803 -0.476 0.000 0.938 4 Q CB -0.060 28.526 28.738 -0.255 0.000 1.081 4 Q HN 0.881 nan 8.270 nan 0.000 0.517 5 N N 0.295 118.184 118.700 -1.351 0.000 2.747 5 N HA -0.163 4.577 4.740 0.000 0.000 0.249 5 N C 0.294 175.561 175.510 -0.405 0.000 1.107 5 N CA 0.283 52.833 53.050 -0.834 0.000 0.707 5 N CB -0.872 37.339 38.487 -0.460 0.000 1.054 5 N HN 0.185 nan 8.380 nan 0.000 0.555 6 I N -1.424 118.923 120.570 -0.371 0.000 2.494 6 I HA 0.084 4.254 4.170 0.000 0.000 0.250 6 I C 0.708 176.538 176.117 -0.478 0.000 1.112 6 I CA 1.042 62.095 61.300 -0.412 0.000 1.438 6 I CB -0.517 37.217 38.000 -0.443 0.000 1.111 6 I HN 0.018 nan 8.210 nan 0.000 0.431 7 F N 0.366 120.398 119.950 0.136 0.000 2.508 7 F HA 0.402 4.929 4.527 0.000 0.000 0.325 7 F C 0.899 176.908 175.800 0.349 0.000 1.090 7 F CA -0.891 57.269 58.000 0.267 0.000 0.945 7 F CB 1.185 40.327 39.000 0.237 0.000 1.156 7 F HN -0.317 nan 8.300 nan 0.000 0.463 8 S N 1.355 117.404 115.700 0.581 0.000 2.576 8 S HA 0.089 4.559 4.470 0.000 0.000 0.276 8 S C 0.858 175.759 174.600 0.501 0.000 1.339 8 S CA -0.490 57.993 58.200 0.471 0.000 1.039 8 S CB 1.041 64.437 63.200 0.327 0.000 0.902 8 S HN 0.697 nan 8.310 nan 0.000 0.516 9 Q N 0.381 120.340 119.800 0.265 0.000 2.297 9 Q HA 0.160 4.500 4.340 0.000 0.000 0.203 9 Q C -0.378 175.765 176.000 0.238 0.000 0.931 9 Q CA 0.617 56.513 55.803 0.156 0.000 0.885 9 Q CB 0.326 28.970 28.738 -0.156 0.000 0.991 9 Q HN 0.425 nan 8.270 nan 0.000 0.498 10 V N 1.353 121.362 119.914 0.157 0.000 2.686 10 V HA 0.233 4.353 4.120 0.000 0.000 0.306 10 V C -0.853 175.240 176.094 -0.001 0.000 1.065 10 V CA -0.854 61.496 62.300 0.083 0.000 0.894 10 V CB 1.966 33.800 31.823 0.019 0.000 1.004 10 V HN 0.108 nan 8.190 nan 0.000 0.424 11 Q N 2.110 121.838 119.800 -0.120 0.000 2.235 11 Q HA 0.788 5.128 4.340 0.000 0.000 0.256 11 Q C -1.193 174.731 176.000 -0.127 0.000 0.951 11 Q CA -0.671 55.023 55.803 -0.183 0.000 0.890 11 Q CB 2.915 31.438 28.738 -0.359 0.000 1.279 11 Q HN 0.504 nan 8.270 nan 0.000 0.444 12 V N 1.786 121.637 119.914 -0.104 0.000 2.789 12 V HA 0.582 4.702 4.120 0.000 0.000 0.311 12 V C -0.946 175.083 176.094 -0.109 0.000 1.073 12 V CA -0.596 61.649 62.300 -0.091 0.000 0.921 12 V CB 2.275 34.064 31.823 -0.057 0.000 1.009 12 V HN 0.697 nan 8.190 nan 0.000 0.426 13 R N 2.273 122.689 120.500 -0.141 0.000 2.725 13 R HA 0.787 5.127 4.340 0.000 0.000 0.277 13 R C -0.428 175.769 176.300 -0.172 0.000 0.987 13 R CA -0.056 55.922 56.100 -0.203 0.000 0.901 13 R CB 2.286 32.363 30.300 -0.372 0.000 1.207 13 R HN 0.893 nan 8.270 nan 0.000 0.463 14 G N 1.960 110.671 108.800 -0.148 0.000 3.176 14 G HA2 0.549 4.509 3.960 0.000 0.000 0.272 14 G HA3 0.549 4.509 3.960 0.000 0.000 0.272 14 G C -2.644 172.211 174.900 -0.075 0.000 1.349 14 G CA -1.089 43.957 45.100 -0.090 0.000 0.953 14 G HN 0.447 nan 8.290 nan 0.000 0.559 15 P HA 0.386 nan 4.420 nan 0.000 0.266 15 P C 0.131 177.514 177.300 0.138 0.000 1.195 15 P CA -0.008 63.116 63.100 0.040 0.000 0.768 15 P CB 0.612 32.330 31.700 0.029 0.000 0.838 16 A N 2.464 125.421 122.820 0.228 0.000 2.567 16 A HA 0.018 4.338 4.320 0.000 0.000 0.240 16 A C 0.467 178.122 177.584 0.119 0.000 1.053 16 A CA 0.246 52.444 52.037 0.269 0.000 0.755 16 A CB -0.409 18.703 19.000 0.186 0.000 0.978 16 A HN 0.530 nan 8.150 nan 0.000 0.507 17 D N 2.541 122.996 120.400 0.091 0.000 2.295 17 D HA 0.217 4.857 4.640 0.000 0.000 0.248 17 D C 0.730 177.038 176.300 0.012 0.000 1.154 17 D CA -0.345 53.681 54.000 0.043 0.000 0.857 17 D CB 0.779 41.603 40.800 0.040 0.000 1.117 17 D HN 0.341 nan 8.370 nan 0.000 0.468 18 L N 3.000 124.229 121.223 0.011 0.000 2.509 18 L HA 0.220 4.560 4.340 0.000 0.000 0.222 18 L C 1.378 178.246 176.870 -0.003 0.000 1.123 18 L CA 0.826 55.667 54.840 0.002 0.000 0.856 18 L CB -1.206 40.857 42.059 0.006 0.000 0.985 18 L HN 0.739 nan 8.230 nan 0.000 0.456 19 G N 0.017 108.814 108.800 -0.004 0.000 2.757 19 G HA2 -0.203 3.757 3.960 0.000 0.000 0.638 19 G HA3 -0.203 3.757 3.960 0.000 0.000 0.638 19 G C -0.158 174.734 174.900 -0.014 0.000 1.344 19 G CA -0.741 44.352 45.100 -0.011 0.000 0.855 19 G HN -0.075 nan 8.290 nan 0.000 0.537 20 M N 0.034 119.620 119.600 -0.023 0.000 2.240 20 M HA 0.340 4.820 4.480 0.000 0.000 0.333 20 M C 1.610 177.893 176.300 -0.028 0.000 1.110 20 M CA 0.564 55.848 55.300 -0.027 0.000 1.173 20 M CB 0.320 32.898 32.600 -0.037 0.000 1.458 20 M HN 0.695 nan 8.290 nan 0.000 0.458 21 T N -0.492 114.047 114.554 -0.026 0.000 3.087 21 T HA 0.051 4.401 4.350 0.000 0.000 0.237 21 T C 0.607 175.286 174.700 -0.035 0.000 0.990 21 T CA 0.027 62.114 62.100 -0.023 0.000 1.160 21 T CB 0.307 69.167 68.868 -0.013 0.000 0.923 21 T HN 0.605 nan 8.240 nan 0.000 0.442 22 E N 1.339 121.517 120.200 -0.036 0.000 3.439 22 E HA -0.217 4.133 4.350 0.000 0.000 0.385 22 E C -0.140 176.436 176.600 -0.040 0.000 1.557 22 E CA 1.630 58.005 56.400 -0.042 0.000 1.684 22 E CB -1.187 28.478 29.700 -0.058 0.000 1.677 22 E HN 0.381 nan 8.360 nan 0.000 0.455 23 D N 1.065 121.434 120.400 -0.052 0.000 2.395 23 D HA 0.206 4.846 4.640 0.000 0.000 0.226 23 D C -0.143 176.126 176.300 -0.052 0.000 1.146 23 D CA 0.067 54.040 54.000 -0.046 0.000 0.830 23 D CB 0.148 40.919 40.800 -0.048 0.000 0.958 23 D HN -0.055 nan 8.370 nan 0.000 0.501 24 V N 1.751 121.632 119.914 -0.055 0.000 2.686 24 V HA 0.004 4.124 4.120 0.000 0.000 0.295 24 V C 0.835 176.947 176.094 0.030 0.000 1.055 24 V CA -0.635 61.632 62.300 -0.054 0.000 1.050 24 V CB 1.194 32.977 31.823 -0.067 0.000 0.984 24 V HN 0.090 nan 8.190 nan 0.000 0.482 25 N N 4.226 122.990 118.700 0.106 0.000 2.448 25 N HA 0.165 4.905 4.740 0.000 0.000 0.250 25 N C 0.725 176.331 175.510 0.160 0.000 1.136 25 N CA 0.019 53.145 53.050 0.127 0.000 0.953 25 N CB 0.444 39.013 38.487 0.138 0.000 1.251 25 N HN 0.631 nan 8.380 nan 0.000 0.502 26 L N 2.138 123.410 121.223 0.081 0.000 2.450 26 L HA -0.071 4.269 4.340 0.000 0.000 0.224 26 L C 2.081 178.959 176.870 0.012 0.000 1.149 26 L CA 0.755 55.628 54.840 0.056 0.000 0.816 26 L CB -0.421 41.654 42.059 0.028 0.000 0.932 26 L HN 0.517 nan 8.230 nan 0.000 0.449 27 A N 0.278 123.097 122.820 -0.002 0.000 2.015 27 A HA -0.134 4.186 4.320 0.000 0.000 0.219 27 A C 1.834 179.359 177.584 -0.098 0.000 1.163 27 A CA 1.304 53.318 52.037 -0.039 0.000 0.646 27 A CB -0.333 18.648 19.000 -0.032 0.000 0.806 27 A HN 0.412 nan 8.150 nan 0.000 0.448 28 N N -0.084 118.522 118.700 -0.158 0.000 2.398 28 N HA 0.047 4.787 4.740 0.000 0.000 0.188 28 N C 0.132 175.357 175.510 -0.475 0.000 1.122 28 N CA 0.216 53.015 53.050 -0.418 0.000 0.866 28 N CB 0.080 38.112 38.487 -0.758 0.000 0.970 28 N HN 0.458 nan 8.380 nan 0.000 0.462 29 R N 0.630 121.019 120.500 -0.185 0.000 2.404 29 R HA 0.230 4.570 4.340 0.000 0.000 0.291 29 R C 0.822 177.073 176.300 -0.082 0.000 1.025 29 R CA -0.276 55.772 56.100 -0.086 0.000 0.991 29 R CB 1.182 31.498 30.300 0.027 0.000 1.053 29 R HN 0.104 nan 8.270 nan 0.000 0.479 30 S N 0.997 116.656 115.700 -0.068 0.000 2.633 30 S HA 0.327 4.797 4.470 0.000 0.000 0.257 30 S C 0.649 175.228 174.600 -0.036 0.000 1.265 30 S CA -0.492 57.676 58.200 -0.053 0.000 0.980 30 S CB 0.895 64.068 63.200 -0.045 0.000 1.017 30 S HN 0.638 nan 8.310 nan 0.000 0.577 31 G N -0.856 107.924 108.800 -0.033 0.000 2.535 31 G HA2 0.524 4.484 3.960 0.000 0.000 0.303 31 G HA3 0.524 4.484 3.960 0.000 0.000 0.303 31 G C -0.602 174.276 174.900 -0.038 0.000 1.237 31 G CA -0.888 44.196 45.100 -0.027 0.000 0.986 31 G HN 0.784 nan 8.290 nan 0.000 0.494 32 V N 0.144 120.033 119.914 -0.042 0.000 2.775 32 V HA 0.501 4.621 4.120 0.000 0.000 0.299 32 V C 1.332 177.373 176.094 -0.088 0.000 1.062 32 V CA 0.312 62.565 62.300 -0.079 0.000 1.063 32 V CB 0.972 32.741 31.823 -0.089 0.000 0.994 32 V HN 0.933 nan 8.190 nan 0.000 0.483 33 G N 3.932 112.652 108.800 -0.133 0.000 2.532 33 G HA2 0.597 4.557 3.960 0.000 0.000 0.291 33 G HA3 0.597 4.557 3.960 0.000 0.000 0.291 33 G C -2.515 172.293 174.900 -0.154 0.000 1.349 33 G CA -1.054 43.980 45.100 -0.111 0.000 1.038 33 G HN 0.625 nan 8.290 nan 0.000 0.518 34 P HA 0.293 nan 4.420 nan 0.000 0.273 34 P C -1.136 176.072 177.300 -0.153 0.000 1.250 34 P CA -0.298 62.776 63.100 -0.044 0.000 0.793 34 P CB 0.622 32.332 31.700 0.016 0.000 1.011 35 F N -0.349 119.593 119.950 -0.014 0.000 2.408 35 F HA 0.302 4.829 4.527 0.000 0.000 0.344 35 F C 1.275 177.061 175.800 -0.023 0.000 1.112 35 F CA -0.073 57.913 58.000 -0.022 0.000 1.096 35 F CB 1.286 40.265 39.000 -0.035 0.000 1.129 35 F HN 0.101 nan 8.300 nan 0.000 0.486 36 S N 2.128 117.904 115.700 0.126 0.000 2.448 36 S HA 0.202 4.672 4.470 0.000 0.000 0.320 36 S C 0.887 175.513 174.600 0.042 0.000 1.071 36 S CA -0.558 57.687 58.200 0.075 0.000 1.113 36 S CB 0.782 64.012 63.200 0.050 0.000 0.972 36 S HN 0.744 nan 8.310 nan 0.000 0.465 37 T N 5.578 120.134 114.554 0.004 0.000 2.759 37 T HA -0.119 4.231 4.350 0.000 0.000 0.269 37 T C 1.737 176.359 174.700 -0.130 0.000 1.042 37 T CA 1.511 63.535 62.100 -0.126 0.000 1.140 37 T CB -0.336 68.480 68.868 -0.087 0.000 0.864 37 T HN 0.571 nan 8.240 nan 0.000 0.455 38 L N 1.136 122.402 121.223 0.072 0.000 1.970 38 L HA -0.027 4.313 4.340 0.000 0.000 0.212 38 L C 2.191 179.191 176.870 0.216 0.000 1.071 38 L CA 1.724 56.692 54.840 0.214 0.000 0.751 38 L CB -0.791 41.357 42.059 0.149 0.000 0.889 38 L HN 0.253 nan 8.230 nan 0.000 0.432 39 L N -0.692 120.612 121.223 0.134 0.000 2.083 39 L HA -0.146 4.194 4.340 0.000 0.000 0.209 39 L C 2.429 179.401 176.870 0.169 0.000 1.083 39 L CA 1.188 56.123 54.840 0.159 0.000 0.752 39 L CB -1.339 40.786 42.059 0.109 0.000 0.899 39 L HN 0.520 nan 8.230 nan 0.000 0.433 40 G N -1.101 107.717 108.800 0.029 0.000 2.498 40 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 40 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 40 G C 1.073 175.941 174.900 -0.053 0.000 1.119 40 G CA -0.004 45.062 45.100 -0.058 0.000 0.766 40 G HN 0.435 nan 8.290 nan 0.000 0.552 41 W N -1.422 119.993 121.300 0.192 0.000 2.595 41 W HA 0.286 4.946 4.660 0.000 0.000 0.257 41 W C 1.794 178.577 176.519 0.440 0.000 1.267 41 W CA -0.339 57.157 57.345 0.251 0.000 1.300 41 W CB -0.023 29.541 29.460 0.173 0.000 1.120 41 W HN 0.184 nan 8.180 nan 0.000 0.618 42 F N -1.303 118.886 119.950 0.397 0.000 2.640 42 F HA 0.444 4.971 4.527 0.000 0.000 0.285 42 F C 1.398 177.289 175.800 0.152 0.000 1.031 42 F CA 1.051 59.236 58.000 0.308 0.000 1.240 42 F CB -0.209 38.978 39.000 0.311 0.000 1.011 42 F HN -0.251 nan 8.300 nan 0.000 0.656 43 G N -0.388 108.560 108.800 0.245 0.000 3.195 43 G HA2 0.204 4.164 3.960 0.000 0.000 0.217 43 G HA3 0.204 4.164 3.960 0.000 0.000 0.217 43 G C -1.229 173.723 174.900 0.086 0.000 1.166 43 G CA -0.755 44.402 45.100 0.094 0.000 0.812 43 G HN -0.075 nan 8.290 nan 0.000 0.617 44 N N 0.590 119.330 118.700 0.065 0.000 2.518 44 N HA 0.368 5.108 4.740 0.000 0.000 0.266 44 N C 1.120 176.669 175.510 0.065 0.000 1.196 44 N CA 0.428 53.512 53.050 0.056 0.000 0.947 44 N CB 1.711 40.220 38.487 0.038 0.000 1.098 44 N HN 0.538 nan 8.380 nan 0.000 0.450 45 A N 2.288 125.159 122.820 0.085 0.000 2.016 45 A HA -0.090 4.230 4.320 0.000 0.000 0.217 45 A C 1.000 178.624 177.584 0.066 0.000 1.162 45 A CA 0.602 52.708 52.037 0.116 0.000 0.662 45 A CB -0.223 18.887 19.000 0.182 0.000 0.812 45 A HN 0.758 nan 8.150 nan 0.000 0.450 46 Q N 0.327 120.116 119.800 -0.019 0.000 2.313 46 Q HA 0.438 4.778 4.340 0.000 0.000 0.266 46 Q C -1.268 174.584 176.000 -0.248 0.000 0.989 46 Q CA -0.053 55.537 55.803 -0.355 0.000 0.890 46 Q CB 0.366 28.912 28.738 -0.320 0.000 1.200 46 Q HN 0.504 nan 8.270 nan 0.000 0.396 47 L N 4.184 125.217 121.223 -0.317 0.000 2.307 47 L HA 0.625 4.965 4.340 0.000 0.000 0.284 47 L C 0.589 177.352 176.870 -0.179 0.000 1.023 47 L CA -0.119 54.613 54.840 -0.180 0.000 0.810 47 L CB 1.499 43.480 42.059 -0.129 0.000 1.231 47 L HN 1.034 nan 8.230 nan 0.000 0.423 48 G N 3.875 112.609 108.800 -0.110 0.000 2.796 48 G HA2 -0.171 3.789 3.960 0.000 0.000 0.226 48 G HA3 -0.171 3.789 3.960 0.000 0.000 0.226 48 G C -2.932 171.914 174.900 -0.092 0.000 1.381 48 G CA -1.038 44.012 45.100 -0.084 0.000 0.867 48 G HN 0.428 nan 8.290 nan 0.000 0.552 49 P HA 0.593 nan 4.420 nan 0.000 0.274 49 P C 0.002 177.294 177.300 -0.014 0.000 1.256 49 P CA -0.532 62.545 63.100 -0.038 0.000 0.795 49 P CB 0.817 32.504 31.700 -0.022 0.000 1.038 50 I N -0.149 120.419 120.570 -0.003 0.000 2.693 50 I HA 0.389 4.559 4.170 0.000 0.000 0.303 50 I C -1.030 175.116 176.117 0.049 0.000 1.025 50 I CA -1.370 59.945 61.300 0.025 0.000 1.086 50 I CB 1.565 39.577 38.000 0.020 0.000 1.268 50 I HN 0.192 nan 8.210 nan 0.000 0.440 51 Y N 6.394 126.659 120.300 -0.058 0.000 2.313 51 Y HA 0.368 4.918 4.550 0.000 0.000 0.332 51 Y C -0.104 175.757 175.900 -0.065 0.000 1.071 51 Y CA -0.169 57.890 58.100 -0.068 0.000 1.169 51 Y CB 0.981 39.384 38.460 -0.095 0.000 1.192 51 Y HN 0.499 nan 8.280 nan 0.000 0.487 52 L N 4.288 125.227 121.223 -0.474 0.000 2.378 52 L HA 0.468 4.808 4.340 0.000 0.000 0.195 52 L C 1.006 177.708 176.870 -0.281 0.000 1.287 52 L CA 0.306 54.977 54.840 -0.283 0.000 1.364 52 L CB -0.881 41.035 42.059 -0.239 0.000 1.310 52 L HN 0.908 nan 8.230 nan 0.000 0.732 53 G N -0.587 108.002 108.800 -0.352 0.000 2.781 53 G HA2 -0.225 3.735 3.960 0.000 0.000 0.683 53 G HA3 -0.225 3.735 3.960 0.000 0.000 0.683 53 G C 0.346 175.226 174.900 -0.034 0.000 1.390 53 G CA -0.170 44.857 45.100 -0.122 0.000 0.850 53 G HN 0.252 nan 8.290 nan 0.000 0.557 54 S N -0.343 115.359 115.700 0.003 0.000 2.356 54 S HA -0.096 4.374 4.470 0.000 0.000 0.223 54 S C 2.602 177.221 174.600 0.032 0.000 1.032 54 S CA 1.781 59.988 58.200 0.012 0.000 1.005 54 S CB -0.255 62.955 63.200 0.018 0.000 0.867 54 S HN 0.594 nan 8.310 nan 0.000 0.449 55 L N 1.664 122.906 121.223 0.032 0.000 2.083 55 L HA -0.004 4.336 4.340 0.000 0.000 0.209 55 L C 2.518 179.413 176.870 0.042 0.000 1.083 55 L CA 1.732 56.591 54.840 0.032 0.000 0.752 55 L CB -1.701 40.353 42.059 -0.007 0.000 0.899 55 L HN 0.388 nan 8.230 nan 0.000 0.433 56 G N -1.387 107.423 108.800 0.018 0.000 2.421 56 G HA2 -0.186 3.775 3.960 0.000 0.000 0.216 56 G HA3 -0.186 3.775 3.960 0.000 0.000 0.216 56 G C 1.665 176.631 174.900 0.111 0.000 1.171 56 G CA 1.046 46.174 45.100 0.046 0.000 0.775 56 G HN 0.275 nan 8.290 nan 0.000 0.543 57 V N 0.770 120.727 119.914 0.070 0.000 2.261 57 V HA -0.127 3.993 4.120 0.000 0.000 0.246 57 V C 2.680 178.855 176.094 0.136 0.000 1.047 57 V CA 1.639 63.987 62.300 0.080 0.000 1.015 57 V CB -0.565 31.274 31.823 0.026 0.000 0.642 57 V HN 0.347 nan 8.190 nan 0.000 0.446 58 L N 0.185 121.484 121.223 0.127 0.000 2.012 58 L HA -0.177 4.163 4.340 0.000 0.000 0.210 58 L C 2.622 179.617 176.870 0.208 0.000 1.073 58 L CA 2.541 57.487 54.840 0.177 0.000 0.748 58 L CB -0.849 41.294 42.059 0.140 0.000 0.891 58 L HN 0.335 nan 8.230 nan 0.000 0.431 59 S N -1.210 114.605 115.700 0.191 0.000 2.355 59 S HA -0.163 4.307 4.470 0.000 0.000 0.222 59 S C 1.988 176.682 174.600 0.157 0.000 1.031 59 S CA 1.456 59.782 58.200 0.210 0.000 0.993 59 S CB -0.508 62.914 63.200 0.370 0.000 0.859 59 S HN 0.432 nan 8.310 nan 0.000 0.453 60 L N 0.712 122.039 121.223 0.173 0.000 2.083 60 L HA 0.089 4.429 4.340 0.000 0.000 0.209 60 L C 1.936 178.847 176.870 0.069 0.000 1.083 60 L CA 1.846 56.742 54.840 0.093 0.000 0.752 60 L CB -0.946 41.178 42.059 0.109 0.000 0.899 60 L HN 0.494 nan 8.230 nan 0.000 0.433 61 F N -0.522 119.427 119.950 -0.000 0.000 2.113 61 F HA -0.157 4.370 4.527 0.000 0.000 0.297 61 F C 2.462 178.219 175.800 -0.071 0.000 1.103 61 F CA 1.752 59.738 58.000 -0.024 0.000 1.248 61 F CB -0.614 38.388 39.000 0.005 0.000 0.999 61 F HN 0.055 nan 8.300 nan 0.000 0.475 62 S N 0.465 116.104 115.700 -0.101 0.000 2.370 62 S HA -0.145 4.325 4.470 0.000 0.000 0.226 62 S C 2.315 176.803 174.600 -0.188 0.000 1.033 62 S CA 1.261 59.355 58.200 -0.177 0.000 1.011 62 S CB -1.345 61.899 63.200 0.073 0.000 0.852 62 S HN 0.636 nan 8.310 nan 0.000 0.457 63 G N 1.566 110.297 108.800 -0.116 0.000 2.421 63 G HA2 -0.138 3.822 3.960 0.000 0.000 0.216 63 G HA3 -0.138 3.822 3.960 0.000 0.000 0.216 63 G C 1.344 176.186 174.900 -0.097 0.000 1.171 63 G CA 0.600 45.653 45.100 -0.078 0.000 0.775 63 G HN 0.431 nan 8.290 nan 0.000 0.543 64 L N -0.050 120.997 121.223 -0.293 0.000 2.083 64 L HA -0.063 4.277 4.340 0.000 0.000 0.209 64 L C 3.080 179.563 176.870 -0.645 0.000 1.083 64 L CA 0.647 55.154 54.840 -0.555 0.000 0.752 64 L CB -0.277 41.483 42.059 -0.499 0.000 0.899 64 L HN 0.166 nan 8.230 nan 0.000 0.433 65 M N -1.405 117.848 119.600 -0.579 0.000 2.132 65 M HA -0.227 4.253 4.480 0.000 0.000 0.263 65 M C 2.096 178.221 176.300 -0.291 0.000 1.065 65 M CA 1.625 56.547 55.300 -0.630 0.000 1.122 65 M CB -1.268 30.446 32.600 -1.477 0.000 1.365 65 M HN 0.440 nan 8.290 nan 0.000 0.411 66 W N 0.834 121.960 121.300 -0.290 0.000 2.333 66 W HA -0.289 4.371 4.660 -0.000 0.000 0.316 66 W C 2.233 178.658 176.519 -0.156 0.000 1.215 66 W CA 1.684 58.966 57.345 -0.105 0.000 1.278 66 W CB -1.056 28.333 29.460 -0.118 0.000 1.154 66 W HN 0.167 nan 8.180 nan 0.000 0.486 67 F N 0.088 119.711 119.950 -0.546 0.000 2.126 67 F HA -0.198 4.329 4.527 0.000 0.000 0.299 67 F C 2.089 177.601 175.800 -0.480 0.000 1.096 67 F CA 2.136 59.656 58.000 -0.799 0.000 1.255 67 F CB -0.916 37.736 39.000 -0.580 0.000 0.997 67 F HN -0.154 nan 8.300 nan 0.000 0.479 68 F N 0.068 119.912 119.950 -0.177 0.000 2.186 68 F HA -0.112 4.415 4.527 0.000 0.000 0.299 68 F C 2.593 178.283 175.800 -0.184 0.000 1.090 68 F CA 1.485 59.387 58.000 -0.163 0.000 1.307 68 F CB -1.731 37.228 39.000 -0.069 0.000 1.019 68 F HN -0.142 nan 8.300 nan 0.000 0.489 69 T N 0.810 115.361 114.554 -0.005 0.000 2.720 69 T HA -0.172 4.178 4.350 0.000 0.000 0.268 69 T C 2.236 176.886 174.700 -0.084 0.000 1.037 69 T CA 1.515 63.623 62.100 0.013 0.000 1.144 69 T CB -0.482 68.428 68.868 0.070 0.000 0.864 69 T HN 0.163 nan 8.240 nan 0.000 0.444 70 I N 1.050 121.400 120.570 -0.365 0.000 2.252 70 I HA -0.073 4.097 4.170 0.000 0.000 0.245 70 I C 2.896 178.681 176.117 -0.552 0.000 1.102 70 I CA 1.231 62.229 61.300 -0.504 0.000 1.385 70 I CB -0.674 36.783 38.000 -0.906 0.000 1.064 70 I HN 0.299 nan 8.210 nan 0.000 0.414 71 G N 1.337 109.835 108.800 -0.504 0.000 2.422 71 G HA2 -0.190 3.771 3.960 0.000 0.000 0.218 71 G HA3 -0.190 3.771 3.960 0.000 0.000 0.218 71 G C 1.596 176.588 174.900 0.154 0.000 1.146 71 G CA 0.436 45.392 45.100 -0.240 0.000 0.769 71 G HN 0.164 nan 8.290 nan 0.000 0.547 72 I N -0.035 120.642 120.570 0.180 0.000 2.179 72 I HA -0.135 4.035 4.170 0.000 0.000 0.242 72 I C 2.407 178.694 176.117 0.285 0.000 1.088 72 I CA 0.646 62.116 61.300 0.283 0.000 1.357 72 I CB -1.216 36.931 38.000 0.245 0.000 1.051 72 I HN 0.453 nan 8.210 nan 0.000 0.409 73 W N 1.381 122.734 121.300 0.088 0.000 2.338 73 W HA -0.295 4.365 4.660 -0.000 0.000 0.304 73 W C 2.395 179.013 176.519 0.164 0.000 1.212 73 W CA 1.257 58.697 57.345 0.158 0.000 1.264 73 W CB -0.357 29.217 29.460 0.190 0.000 1.142 73 W HN 0.026 nan 8.180 nan 0.000 0.512 74 F N -0.528 119.321 119.950 -0.168 0.000 2.134 74 F HA -0.151 4.376 4.527 0.000 0.000 0.299 74 F C 2.097 177.388 175.800 -0.848 0.000 1.097 74 F CA 0.978 58.563 58.000 -0.691 0.000 1.264 74 F CB -1.777 36.894 39.000 -0.547 0.000 1.001 74 F HN -0.066 nan 8.300 nan 0.000 0.479 75 W N -1.171 119.999 121.300 -0.218 0.000 2.358 75 W HA -0.260 4.400 4.660 0.000 0.000 0.303 75 W C 2.667 178.535 176.519 -1.085 0.000 1.208 75 W CA 1.686 58.752 57.345 -0.466 0.000 1.274 75 W CB -1.124 28.123 29.460 -0.354 0.000 1.138 75 W HN 0.064 nan 8.180 nan 0.000 0.515 76 Y N 1.188 120.849 120.300 -1.065 0.000 2.181 76 Y HA -0.302 4.248 4.550 0.000 0.000 0.288 76 Y C 2.294 177.664 175.900 -0.884 0.000 1.146 76 Y CA 2.174 59.563 58.100 -1.185 0.000 1.164 76 Y CB -0.804 37.245 38.460 -0.685 0.000 0.982 76 Y HN 0.022 nan 8.280 nan 0.000 0.515 77 Q N -0.541 118.642 119.800 -1.028 0.000 2.291 77 Q HA -0.067 4.273 4.340 0.000 0.000 0.205 77 Q C 1.965 177.625 176.000 -0.567 0.000 0.970 77 Q CA 0.870 56.157 55.803 -0.861 0.000 0.876 77 Q CB -0.168 28.162 28.738 -0.680 0.000 0.935 77 Q HN 0.598 nan 8.270 nan 0.000 0.455 78 A N -0.010 122.421 122.820 -0.648 0.000 2.251 78 A HA 0.299 4.619 4.320 0.000 0.000 0.209 78 A C 1.297 178.748 177.584 -0.220 0.000 1.187 78 A CA 0.544 52.412 52.037 -0.281 0.000 0.823 78 A CB -0.247 18.613 19.000 -0.233 0.000 0.846 78 A HN 0.378 nan 8.150 nan 0.000 0.486 79 G N -1.539 107.003 108.800 -0.430 0.000 2.323 79 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 79 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 79 G C 0.266 175.181 174.900 0.026 0.000 1.040 79 G CA 0.201 45.150 45.100 -0.251 0.000 0.942 79 G HN 1.101 nan 8.290 nan 0.000 0.506 80 W N -2.503 118.881 121.300 0.140 0.000 4.650 80 W HA -0.208 4.452 4.660 0.000 0.000 0.335 80 W C 0.669 177.351 176.519 0.272 0.000 1.222 80 W CA 0.445 57.933 57.345 0.238 0.000 0.807 80 W CB -1.861 27.648 29.460 0.082 0.000 2.290 80 W HN 0.653 nan 8.180 nan 0.000 1.514 81 N N 0.637 119.566 118.700 0.382 0.000 2.444 81 N HA 0.269 5.009 4.740 0.000 0.000 0.262 81 N C -1.103 174.627 175.510 0.367 0.000 0.974 81 N CA -2.268 50.973 53.050 0.318 0.000 0.933 81 N CB 1.675 40.271 38.487 0.181 0.000 1.137 81 N HN -0.300 nan 8.380 nan 0.000 0.498 82 P HA -0.074 nan 4.420 nan 0.000 0.219 82 P C 0.666 178.113 177.300 0.245 0.000 1.146 82 P CA 1.048 64.382 63.100 0.391 0.000 0.808 82 P CB 0.299 32.202 31.700 0.339 0.000 0.779 83 A N -0.879 122.047 122.820 0.177 0.000 1.970 83 A HA -0.037 4.283 4.320 0.000 0.000 0.216 83 A C 2.252 179.890 177.584 0.090 0.000 1.170 83 A CA 1.140 53.246 52.037 0.115 0.000 0.645 83 A CB -1.298 17.751 19.000 0.081 0.000 0.816 83 A HN 0.049 nan 8.150 nan 0.000 0.447 84 V N -1.328 118.650 119.914 0.107 0.000 2.591 84 V HA -0.138 3.982 4.120 0.000 0.000 0.249 84 V C 2.170 178.348 176.094 0.139 0.000 1.053 84 V CA 1.623 63.971 62.300 0.080 0.000 1.068 84 V CB -0.848 31.022 31.823 0.079 0.000 0.689 84 V HN 0.633 nan 8.190 nan 0.000 0.462 85 F N 0.105 120.037 119.950 -0.031 0.000 2.102 85 F HA -0.176 4.351 4.527 0.000 0.000 0.298 85 F C 2.105 177.898 175.800 -0.012 0.000 1.105 85 F CA 1.707 59.631 58.000 -0.126 0.000 1.239 85 F CB -0.057 38.486 39.000 -0.762 0.000 0.991 85 F HN -0.014 nan 8.300 nan 0.000 0.474 86 L N 0.214 121.501 121.223 0.106 0.000 2.072 86 L HA -0.160 4.180 4.340 0.000 0.000 0.205 86 L C 2.625 179.433 176.870 -0.104 0.000 1.079 86 L CA 1.667 56.511 54.840 0.007 0.000 0.752 86 L CB -1.069 41.042 42.059 0.087 0.000 0.906 86 L HN 0.206 nan 8.230 nan 0.000 0.436 87 R N 0.265 120.719 120.500 -0.078 0.000 2.083 87 R HA -0.178 4.162 4.340 0.000 0.000 0.237 87 R C 0.834 177.020 176.300 -0.190 0.000 1.137 87 R CA 1.929 57.957 56.100 -0.120 0.000 0.951 87 R CB 0.065 30.304 30.300 -0.102 0.000 0.851 87 R HN 0.286 nan 8.270 nan 0.000 0.434 88 D N 0.340 120.561 120.400 -0.298 0.000 2.368 88 D HA -0.008 4.632 4.640 0.000 0.000 0.218 88 D C 1.300 177.105 176.300 -0.825 0.000 1.112 88 D CA -0.122 53.559 54.000 -0.532 0.000 0.834 88 D CB 0.396 40.691 40.800 -0.842 0.000 0.953 88 D HN 0.108 nan 8.370 nan 0.000 0.505 89 L N 0.170 121.107 121.223 -0.477 0.000 2.034 89 L HA -0.229 4.111 4.340 0.000 0.000 0.217 89 L C 1.542 178.315 176.870 -0.162 0.000 1.077 89 L CA 1.749 56.413 54.840 -0.293 0.000 0.769 89 L CB -0.518 41.427 42.059 -0.190 0.000 0.890 89 L HN -0.005 nan 8.230 nan 0.000 0.435 90 F N -1.810 117.793 119.950 -0.579 0.000 2.558 90 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 90 F C 1.986 177.185 175.800 -1.002 0.000 1.119 90 F CA 0.430 57.866 58.000 -0.941 0.000 1.451 90 F CB -0.831 37.252 39.000 -1.529 0.000 1.091 90 F HN 0.054 nan 8.300 nan 0.000 0.563 91 F N -1.884 117.772 119.950 -0.490 0.000 2.619 91 F HA 0.098 4.625 4.527 -0.000 0.000 0.293 91 F C 0.866 176.427 175.800 -0.399 0.000 1.119 91 F CA -0.380 57.419 58.000 -0.336 0.000 1.445 91 F CB -0.781 38.018 39.000 -0.335 0.000 1.119 91 F HN -0.344 nan 8.300 nan 0.000 0.573 92 F N 0.462 120.208 119.950 -0.340 0.000 2.496 92 F HA 0.338 4.865 4.527 0.000 0.000 0.344 92 F C 0.750 176.257 175.800 -0.487 0.000 1.155 92 F CA -0.423 57.180 58.000 -0.663 0.000 1.302 92 F CB 0.280 38.309 39.000 -1.618 0.000 1.159 92 F HN -0.317 nan 8.300 nan 0.000 0.595 93 S N 1.877 117.652 115.700 0.124 0.000 2.543 93 S HA 0.523 4.993 4.470 0.000 0.000 0.273 93 S C -1.913 173.059 174.600 0.619 0.000 1.152 93 S CA -0.740 57.687 58.200 0.379 0.000 0.910 93 S CB 0.905 64.272 63.200 0.279 0.000 1.105 93 S HN 0.578 nan 8.310 nan 0.000 0.465 94 L N 4.767 126.343 121.223 0.588 0.000 2.264 94 L HA 0.624 4.964 4.340 0.000 0.000 0.287 94 L C -0.356 176.683 176.870 0.282 0.000 1.039 94 L CA 0.096 55.103 54.840 0.278 0.000 0.829 94 L CB 0.801 43.011 42.059 0.252 0.000 1.211 94 L HN 0.607 nan 8.230 nan 0.000 0.427 95 E N 6.336 126.604 120.200 0.114 0.000 2.277 95 E HA 0.409 4.759 4.350 0.000 0.000 0.274 95 E C -2.413 174.031 176.600 -0.259 0.000 1.022 95 E CA -1.909 54.486 56.400 -0.010 0.000 0.853 95 E CB 0.661 30.382 29.700 0.035 0.000 1.086 95 E HN 0.443 nan 8.360 nan 0.000 0.397 96 P HA 0.126 nan 4.420 nan 0.000 0.271 96 P C -2.485 174.554 177.300 -0.435 0.000 1.233 96 P CA -1.209 61.188 63.100 -1.173 0.000 0.789 96 P CB -0.705 30.116 31.700 -1.465 0.000 0.951 97 P HA 0.043 nan 4.420 nan 0.000 0.268 97 P C -0.163 177.158 177.300 0.035 0.000 1.208 97 P CA 0.225 63.278 63.100 -0.078 0.000 0.777 97 P CB 0.052 31.741 31.700 -0.019 0.000 0.875 98 A N 4.481 127.419 122.820 0.196 0.000 2.366 98 A HA 0.308 4.628 4.320 0.000 0.000 0.249 98 A C -1.206 176.449 177.584 0.118 0.000 1.084 98 A CA -0.971 51.155 52.037 0.148 0.000 0.794 98 A CB -1.077 18.019 19.000 0.160 0.000 1.034 98 A HN 0.392 nan 8.150 nan 0.000 0.491 99 P HA -0.181 nan 4.420 nan 0.000 0.218 99 P C 0.761 178.029 177.300 -0.054 0.000 1.146 99 P CA 1.714 64.802 63.100 -0.020 0.000 0.813 99 P CB 0.021 31.699 31.700 -0.038 0.000 0.778 100 E N -1.094 119.040 120.200 -0.110 0.000 2.085 100 E HA -0.202 4.148 4.350 0.000 0.000 0.194 100 E C 1.350 177.796 176.600 -0.257 0.000 0.994 100 E CA 1.164 57.418 56.400 -0.243 0.000 0.801 100 E CB -0.887 28.561 29.700 -0.420 0.000 0.743 100 E HN 0.418 nan 8.360 nan 0.000 0.453 101 Y N 0.815 121.107 120.300 -0.014 0.000 2.578 101 Y HA 0.109 4.659 4.550 0.000 0.000 0.297 101 Y C 1.757 177.639 175.900 -0.031 0.000 1.176 101 Y CA 0.287 58.386 58.100 -0.001 0.000 1.315 101 Y CB -0.542 37.936 38.460 0.030 0.000 1.031 101 Y HN 0.121 nan 8.280 nan 0.000 0.524 102 G N 1.048 109.858 108.800 0.017 0.000 2.652 102 G HA2 -0.362 3.598 3.960 0.000 0.000 0.318 102 G HA3 -0.362 3.598 3.960 0.000 0.000 0.318 102 G C 0.656 175.408 174.900 -0.245 0.000 1.295 102 G CA 0.753 45.788 45.100 -0.107 0.000 0.999 102 G HN 0.330 nan 8.290 nan 0.000 0.548 103 L N 1.914 122.919 121.223 -0.363 0.000 2.685 103 L HA 0.330 4.670 4.340 0.000 0.000 0.233 103 L C 1.703 178.465 176.870 -0.179 0.000 1.173 103 L CA 0.484 54.919 54.840 -0.674 0.000 0.961 103 L CB -0.162 41.509 42.059 -0.647 0.000 1.217 103 L HN 0.643 nan 8.230 nan 0.000 0.478 104 S N -1.213 114.490 115.700 0.005 0.000 2.632 104 S HA 0.254 4.724 4.470 0.000 0.000 0.267 104 S C 0.274 174.885 174.600 0.019 0.000 1.276 104 S CA -0.340 57.917 58.200 0.095 0.000 0.998 104 S CB 0.700 63.994 63.200 0.156 0.000 0.953 104 S HN 0.151 nan 8.310 nan 0.000 0.547 105 F N 0.205 120.267 119.950 0.187 0.000 2.664 105 F HA 0.410 4.938 4.527 0.000 0.000 0.303 105 F C 2.105 177.923 175.800 0.030 0.000 1.092 105 F CA -0.022 58.034 58.000 0.094 0.000 1.305 105 F CB -0.429 38.598 39.000 0.045 0.000 1.054 105 F HN 0.766 nan 8.300 nan 0.000 0.565 106 A N 0.618 123.543 122.820 0.174 0.000 1.968 106 A HA 0.279 4.599 4.320 0.000 0.000 0.217 106 A C 1.732 179.300 177.584 -0.028 0.000 1.169 106 A CA 0.581 52.681 52.037 0.105 0.000 0.638 106 A CB -0.897 18.197 19.000 0.157 0.000 0.812 106 A HN 0.182 nan 8.150 nan 0.000 0.446 107 A N 1.374 124.060 122.820 -0.222 0.000 2.608 107 A HA 0.347 4.667 4.320 0.000 0.000 0.239 107 A C -1.878 175.501 177.584 -0.342 0.000 1.018 107 A CA -0.463 51.150 52.037 -0.707 0.000 0.766 107 A CB -0.616 17.887 19.000 -0.828 0.000 0.928 107 A HN 0.366 nan 8.150 nan 0.000 0.512 108 P HA 0.052 nan 4.420 nan 0.000 0.270 108 P C 1.032 178.270 177.300 -0.103 0.000 1.227 108 P CA -0.241 62.797 63.100 -0.103 0.000 0.788 108 P CB 0.382 32.069 31.700 -0.022 0.000 0.926 109 L N 0.836 122.034 121.223 -0.042 0.000 2.017 109 L HA -0.181 4.159 4.340 0.000 0.000 0.208 109 L C 2.097 178.929 176.870 -0.063 0.000 1.073 109 L CA 1.951 56.766 54.840 -0.043 0.000 0.745 109 L CB -0.764 41.297 42.059 0.003 0.000 0.894 109 L HN 0.393 nan 8.230 nan 0.000 0.432 110 K N -0.152 120.267 120.400 0.032 0.000 2.515 110 K HA -0.074 4.246 4.320 0.000 0.000 0.196 110 K C 0.904 177.536 176.600 0.053 0.000 1.038 110 K CA 0.632 57.001 56.287 0.137 0.000 0.967 110 K CB 0.090 32.776 32.500 0.310 0.000 0.780 110 K HN 0.295 nan 8.250 nan 0.000 0.483 111 E N -0.415 119.771 120.200 -0.023 0.000 2.569 111 E HA 0.134 4.484 4.350 0.000 0.000 0.205 111 E C 0.668 177.189 176.600 -0.132 0.000 1.006 111 E CA 0.175 56.557 56.400 -0.030 0.000 0.985 111 E CB 1.345 31.042 29.700 -0.004 0.000 1.060 111 E HN 0.427 nan 8.360 nan 0.000 0.460 112 G N 0.489 109.197 108.800 -0.155 0.000 2.367 112 G HA2 -0.220 3.740 3.960 0.000 0.000 0.181 112 G HA3 -0.220 3.740 3.960 0.000 0.000 0.181 112 G C 1.150 176.015 174.900 -0.058 0.000 1.000 112 G CA -0.126 44.901 45.100 -0.121 0.000 0.693 112 G HN 0.392 nan 8.290 nan 0.000 0.480 113 G N 0.699 109.437 108.800 -0.103 0.000 2.408 113 G HA2 0.121 4.081 3.960 0.000 0.000 0.217 113 G HA3 0.121 4.081 3.960 0.000 0.000 0.217 113 G C 1.682 176.570 174.900 -0.019 0.000 1.150 113 G CA 1.549 46.615 45.100 -0.056 0.000 0.776 113 G HN 0.752 nan 8.290 nan 0.000 0.542 114 L N -0.713 120.480 121.223 -0.051 0.000 2.201 114 L HA 0.173 4.513 4.340 0.000 0.000 0.212 114 L C 2.268 179.144 176.870 0.010 0.000 1.105 114 L CA 1.047 55.860 54.840 -0.045 0.000 0.775 114 L CB -0.479 41.495 42.059 -0.140 0.000 0.913 114 L HN 0.491 nan 8.230 nan 0.000 0.440 115 W N -0.536 120.685 121.300 -0.132 0.000 2.409 115 W HA -0.145 4.515 4.660 0.000 0.000 0.299 115 W C 2.070 178.596 176.519 0.012 0.000 1.203 115 W CA 1.391 58.728 57.345 -0.013 0.000 1.298 115 W CB -0.055 29.362 29.460 -0.073 0.000 1.127 115 W HN 0.067 nan 8.180 nan 0.000 0.528 116 L N 0.244 121.560 121.223 0.156 0.000 2.093 116 L HA -0.209 4.131 4.340 0.000 0.000 0.208 116 L C 2.357 179.149 176.870 -0.130 0.000 1.085 116 L CA 1.247 56.053 54.840 -0.056 0.000 0.755 116 L CB -0.688 41.351 42.059 -0.034 0.000 0.904 116 L HN 0.038 nan 8.230 nan 0.000 0.435 117 I N -0.373 120.142 120.570 -0.091 0.000 2.163 117 I HA -0.264 3.906 4.170 0.000 0.000 0.240 117 I C 2.803 178.840 176.117 -0.133 0.000 1.081 117 I CA 1.156 62.365 61.300 -0.152 0.000 1.353 117 I CB -0.460 37.491 38.000 -0.082 0.000 1.054 117 I HN 0.177 nan 8.210 nan 0.000 0.407 118 A N 0.177 122.984 122.820 -0.022 0.000 1.908 118 A HA -0.233 4.087 4.320 0.000 0.000 0.218 118 A C 2.470 180.118 177.584 0.105 0.000 1.181 118 A CA 2.414 54.504 52.037 0.089 0.000 0.627 118 A CB -0.833 18.090 19.000 -0.128 0.000 0.818 118 A HN 0.414 nan 8.150 nan 0.000 0.445 119 S N -1.204 114.400 115.700 -0.160 0.000 2.382 119 S HA -0.126 4.344 4.470 0.000 0.000 0.228 119 S C 1.634 176.213 174.600 -0.035 0.000 1.027 119 S CA 1.376 59.460 58.200 -0.192 0.000 0.991 119 S CB -0.518 62.277 63.200 -0.675 0.000 0.823 119 S HN 0.646 nan 8.310 nan 0.000 0.469 120 F N 1.963 121.793 119.950 -0.200 0.000 2.095 120 F HA -0.129 4.398 4.527 0.000 0.000 0.298 120 F C 1.653 177.446 175.800 -0.011 0.000 1.104 120 F CA 1.275 59.169 58.000 -0.178 0.000 1.232 120 F CB -0.493 38.293 39.000 -0.358 0.000 0.987 120 F HN 0.110 nan 8.300 nan 0.000 0.475 121 F N -0.015 119.938 119.950 0.005 0.000 2.171 121 F HA -0.196 4.331 4.527 0.000 0.000 0.300 121 F C 2.650 178.379 175.800 -0.118 0.000 1.090 121 F CA 1.580 59.539 58.000 -0.069 0.000 1.293 121 F CB -1.146 37.899 39.000 0.075 0.000 1.013 121 F HN 0.072 nan 8.300 nan 0.000 0.486 122 M N -1.230 118.387 119.600 0.029 0.000 2.132 122 M HA -0.224 4.256 4.480 0.000 0.000 0.263 122 M C 2.316 178.618 176.300 0.003 0.000 1.065 122 M CA 1.655 56.784 55.300 -0.286 0.000 1.122 122 M CB -0.444 31.781 32.600 -0.625 0.000 1.365 122 M HN 0.173 nan 8.290 nan 0.000 0.411 123 F N 0.370 120.332 119.950 0.021 0.000 2.091 123 F HA -0.249 4.278 4.527 0.000 0.000 0.299 123 F C 1.862 177.746 175.800 0.140 0.000 1.103 123 F CA 1.982 60.096 58.000 0.191 0.000 1.228 123 F CB -0.433 38.572 39.000 0.009 0.000 0.984 123 F HN -0.081 nan 8.300 nan 0.000 0.477 124 V N 0.296 120.274 119.914 0.106 0.000 2.358 124 V HA -0.281 3.839 4.120 0.000 0.000 0.246 124 V C 2.697 178.821 176.094 0.050 0.000 1.047 124 V CA 1.654 63.981 62.300 0.046 0.000 1.035 124 V CB -1.527 30.251 31.823 -0.074 0.000 0.658 124 V HN 0.490 nan 8.190 nan 0.000 0.452 125 A N -0.120 122.697 122.820 -0.004 0.000 1.883 125 A HA -0.181 4.139 4.320 0.000 0.000 0.217 125 A C 2.409 179.963 177.584 -0.049 0.000 1.186 125 A CA 2.336 54.356 52.037 -0.028 0.000 0.624 125 A CB -0.747 18.173 19.000 -0.133 0.000 0.822 125 A HN 0.328 nan 8.150 nan 0.000 0.444 126 V N -2.416 117.357 119.914 -0.235 0.000 2.270 126 V HA -0.264 3.856 4.120 0.000 0.000 0.245 126 V C 2.263 178.213 176.094 -0.241 0.000 1.043 126 V CA 1.793 63.847 62.300 -0.411 0.000 1.014 126 V CB -1.023 30.130 31.823 -1.117 0.000 0.645 126 V HN 0.792 nan 8.190 nan 0.000 0.447 127 W N 0.822 121.997 121.300 -0.210 0.000 2.374 127 W HA -0.180 4.480 4.660 0.000 0.000 0.288 127 W C 2.896 179.455 176.519 0.067 0.000 1.218 127 W CA 1.475 58.742 57.345 -0.131 0.000 1.245 127 W CB -0.352 28.911 29.460 -0.327 0.000 1.126 127 W HN 0.380 nan 8.180 nan 0.000 0.545 128 S N -1.259 114.600 115.700 0.266 0.000 2.406 128 S HA -0.214 4.256 4.470 0.000 0.000 0.228 128 S C 1.658 176.379 174.600 0.201 0.000 1.020 128 S CA 0.718 59.047 58.200 0.216 0.000 0.965 128 S CB -1.182 62.119 63.200 0.168 0.000 0.798 128 S HN 0.476 nan 8.310 nan 0.000 0.488 129 W N 0.986 122.333 121.300 0.079 0.000 2.363 129 W HA -0.097 4.563 4.660 0.000 0.000 0.296 129 W C 1.880 178.511 176.519 0.185 0.000 1.212 129 W CA 1.038 58.432 57.345 0.082 0.000 1.260 129 W CB -0.473 29.013 29.460 0.043 0.000 1.131 129 W HN 0.499 nan 8.180 nan 0.000 0.530 130 W N 1.489 122.922 121.300 0.223 0.000 2.355 130 W HA -0.101 4.559 4.660 0.000 0.000 0.309 130 W C 2.530 179.061 176.519 0.020 0.000 1.206 130 W CA 3.392 60.811 57.345 0.123 0.000 1.284 130 W CB -0.928 28.427 29.460 -0.175 0.000 1.145 130 W HN -0.113 nan 8.180 nan 0.000 0.502 131 G N 0.233 109.060 108.800 0.044 0.000 2.440 131 G HA2 -0.345 3.615 3.960 0.000 0.000 0.218 131 G HA3 -0.345 3.615 3.960 0.000 0.000 0.218 131 G C 1.596 176.321 174.900 -0.292 0.000 1.154 131 G CA 1.161 46.163 45.100 -0.162 0.000 0.767 131 G HN 0.324 nan 8.290 nan 0.000 0.552 132 R N 0.240 120.555 120.500 -0.308 0.000 2.081 132 R HA -0.106 4.234 4.340 0.000 0.000 0.235 132 R C 2.968 178.968 176.300 -0.499 0.000 1.131 132 R CA 2.102 57.944 56.100 -0.430 0.000 0.960 132 R CB -0.511 29.394 30.300 -0.658 0.000 0.856 132 R HN 0.496 nan 8.270 nan 0.000 0.436 133 T N -2.153 112.073 114.554 -0.546 0.000 2.821 133 T HA -0.199 4.151 4.350 0.000 0.000 0.267 133 T C 1.814 176.226 174.700 -0.480 0.000 1.046 133 T CA 1.158 62.972 62.100 -0.477 0.000 1.139 133 T CB -0.553 68.107 68.868 -0.347 0.000 0.871 133 T HN 0.380 nan 8.240 nan 0.000 0.454 134 Y N 1.822 121.680 120.300 -0.737 0.000 2.163 134 Y HA 0.180 4.730 4.550 0.000 0.000 0.288 134 Y C 2.168 177.796 175.900 -0.453 0.000 1.136 134 Y CA 1.085 58.769 58.100 -0.693 0.000 1.147 134 Y CB -0.348 37.551 38.460 -0.935 0.000 0.987 134 Y HN 0.147 nan 8.280 nan 0.000 0.509 135 L N -0.433 120.690 121.223 -0.166 0.000 2.141 135 L HA -0.176 4.164 4.340 0.000 0.000 0.209 135 L C 2.435 179.136 176.870 -0.281 0.000 1.094 135 L CA 0.787 55.530 54.840 -0.161 0.000 0.763 135 L CB -0.446 41.530 42.059 -0.138 0.000 0.908 135 L HN 0.090 nan 8.230 nan 0.000 0.437 136 R N 0.276 120.566 120.500 -0.349 0.000 2.115 136 R HA -0.051 4.289 4.340 0.000 0.000 0.230 136 R C 2.214 178.324 176.300 -0.318 0.000 1.111 136 R CA 1.333 57.205 56.100 -0.379 0.000 0.976 136 R CB -0.791 29.282 30.300 -0.377 0.000 0.870 136 R HN 0.350 nan 8.270 nan 0.000 0.445 137 A N 0.752 123.376 122.820 -0.327 0.000 1.898 137 A HA -0.140 4.180 4.320 0.000 0.000 0.214 137 A C 2.184 179.603 177.584 -0.276 0.000 1.183 137 A CA 1.035 52.893 52.037 -0.298 0.000 0.622 137 A CB -0.387 18.398 19.000 -0.357 0.000 0.824 137 A HN 0.333 nan 8.150 nan 0.000 0.444 138 Q N -0.270 119.342 119.800 -0.313 0.000 2.096 138 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 138 Q C 2.062 177.964 176.000 -0.164 0.000 0.982 138 Q CA 1.655 57.321 55.803 -0.228 0.000 0.850 138 Q CB -0.346 28.292 28.738 -0.166 0.000 0.901 138 Q HN 0.584 nan 8.270 nan 0.000 0.422 139 A N 0.185 122.893 122.820 -0.187 0.000 2.125 139 A HA -0.074 4.246 4.320 0.000 0.000 0.219 139 A C 1.648 179.143 177.584 -0.147 0.000 1.156 139 A CA 0.870 52.806 52.037 -0.168 0.000 0.671 139 A CB -0.191 18.669 19.000 -0.232 0.000 0.794 139 A HN 0.452 nan 8.150 nan 0.000 0.459 140 L N -1.617 119.512 121.223 -0.156 0.000 2.728 140 L HA 0.271 4.611 4.340 0.000 0.000 0.238 140 L C 1.491 178.298 176.870 -0.105 0.000 1.143 140 L CA 0.388 55.152 54.840 -0.127 0.000 0.937 140 L CB 0.152 42.129 42.059 -0.137 0.000 1.225 140 L HN 0.496 nan 8.230 nan 0.000 0.507 141 G N 0.675 109.411 108.800 -0.106 0.000 2.179 141 G HA2 -0.318 3.642 3.960 0.000 0.000 0.257 141 G HA3 -0.318 3.642 3.960 0.000 0.000 0.257 141 G C 0.270 175.118 174.900 -0.087 0.000 1.010 141 G CA 0.330 45.378 45.100 -0.086 0.000 0.736 141 G HN 0.283 nan 8.290 nan 0.000 0.513 142 M N 0.244 119.776 119.600 -0.114 0.000 2.283 142 M HA 0.518 4.998 4.480 0.000 0.000 0.314 142 M C 1.415 177.662 176.300 -0.087 0.000 1.153 142 M CA 0.113 55.354 55.300 -0.098 0.000 1.084 142 M CB 0.770 33.299 32.600 -0.119 0.000 1.468 142 M HN 0.214 nan 8.290 nan 0.000 0.474 143 G N 0.729 109.528 108.800 -0.001 0.000 2.636 143 G HA2 0.122 4.083 3.960 0.000 0.000 0.246 143 G HA3 0.122 4.083 3.960 0.000 0.000 0.246 143 G C 0.191 175.111 174.900 0.033 0.000 1.216 143 G CA -0.568 44.595 45.100 0.104 0.000 0.854 143 G HN 0.636 nan 8.290 nan 0.000 0.572 144 K N 0.327 120.677 120.400 -0.082 0.000 2.596 144 K HA 0.096 4.416 4.320 0.000 0.000 0.211 144 K C 1.251 177.764 176.600 -0.145 0.000 1.046 144 K CA -0.137 55.986 56.287 -0.273 0.000 1.202 144 K CB -0.081 32.154 32.500 -0.441 0.000 0.925 144 K HN 0.602 nan 8.250 nan 0.000 0.486 145 H N 0.432 119.490 119.070 -0.020 0.000 2.352 145 H HA -0.091 4.465 4.556 0.000 0.000 0.299 145 H C 1.733 177.047 175.328 -0.024 0.000 1.097 145 H CA 2.043 58.109 56.048 0.030 0.000 1.311 145 H CB -0.326 29.417 29.762 -0.032 0.000 1.377 145 H HN 0.103 nan 8.280 nan 0.000 0.504 146 T N 0.250 114.818 114.554 0.023 0.000 2.708 146 T HA -0.164 4.186 4.350 0.000 0.000 0.266 146 T C 2.383 177.068 174.700 -0.024 0.000 1.037 146 T CA 1.368 63.449 62.100 -0.032 0.000 1.146 146 T CB -0.540 68.269 68.868 -0.099 0.000 0.865 146 T HN 0.526 nan 8.240 nan 0.000 0.435 147 A N 0.429 123.133 122.820 -0.194 0.000 1.902 147 A HA -0.067 4.253 4.320 0.000 0.000 0.217 147 A C 2.109 179.745 177.584 0.086 0.000 1.181 147 A CA 1.249 53.141 52.037 -0.242 0.000 0.623 147 A CB -1.135 17.410 19.000 -0.758 0.000 0.818 147 A HN 0.718 nan 8.150 nan 0.000 0.443 148 W N -0.349 121.076 121.300 0.208 0.000 2.388 148 W HA 0.012 4.672 4.660 0.000 0.000 0.294 148 W C 2.732 179.305 176.519 0.091 0.000 1.212 148 W CA 0.781 58.224 57.345 0.163 0.000 1.271 148 W CB -0.103 29.366 29.460 0.014 0.000 1.126 148 W HN 0.382 nan 8.180 nan 0.000 0.535 149 A N 0.061 123.023 122.820 0.235 0.000 1.898 149 A HA -0.223 4.097 4.320 0.000 0.000 0.216 149 A C 1.775 179.500 177.584 0.235 0.000 1.181 149 A CA 1.329 53.442 52.037 0.127 0.000 0.620 149 A CB -1.196 17.832 19.000 0.046 0.000 0.819 149 A HN 0.325 nan 8.150 nan 0.000 0.442 150 F N 0.332 120.345 119.950 0.105 0.000 2.216 150 F HA -0.125 4.402 4.527 0.000 0.000 0.300 150 F C 1.736 177.609 175.800 0.122 0.000 1.085 150 F CA 1.209 59.277 58.000 0.113 0.000 1.326 150 F CB -0.627 38.464 39.000 0.151 0.000 1.027 150 F HN 0.192 nan 8.300 nan 0.000 0.497 151 L N -0.365 120.972 121.223 0.189 0.000 2.131 151 L HA -0.164 4.176 4.340 0.000 0.000 0.210 151 L C 2.670 179.570 176.870 0.049 0.000 1.092 151 L CA 1.967 56.786 54.840 -0.035 0.000 0.759 151 L CB -1.130 41.022 42.059 0.155 0.000 0.903 151 L HN 0.236 nan 8.230 nan 0.000 0.435 152 S N -1.130 114.647 115.700 0.129 0.000 2.368 152 S HA -0.145 4.325 4.470 0.000 0.000 0.224 152 S C 2.154 176.882 174.600 0.212 0.000 1.029 152 S CA 1.115 59.412 58.200 0.162 0.000 0.988 152 S CB -0.306 62.962 63.200 0.113 0.000 0.838 152 S HN 0.611 nan 8.310 nan 0.000 0.462 153 A N 1.321 124.240 122.820 0.165 0.000 1.898 153 A HA 0.041 4.361 4.320 0.000 0.000 0.216 153 A C 2.105 179.744 177.584 0.091 0.000 1.181 153 A CA 1.391 53.519 52.037 0.150 0.000 0.620 153 A CB -0.770 18.346 19.000 0.195 0.000 0.819 153 A HN 0.613 nan 8.150 nan 0.000 0.442 154 I N -1.222 119.302 120.570 -0.077 0.000 2.264 154 I HA -0.292 3.878 4.170 0.000 0.000 0.248 154 I C 2.489 178.714 176.117 0.180 0.000 1.111 154 I CA 1.417 62.638 61.300 -0.132 0.000 1.382 154 I CB -0.310 37.278 38.000 -0.687 0.000 1.060 154 I HN 0.774 nan 8.210 nan 0.000 0.418 155 W N 1.667 122.964 121.300 -0.003 0.000 2.335 155 W HA -0.302 4.358 4.660 0.000 0.000 0.311 155 W C 2.291 178.862 176.519 0.086 0.000 1.213 155 W CA 1.318 58.693 57.345 0.051 0.000 1.274 155 W CB -0.292 29.192 29.460 0.040 0.000 1.148 155 W HN 0.161 nan 8.180 nan 0.000 0.498 156 L N 0.992 122.204 121.223 -0.019 0.000 2.027 156 L HA -0.131 4.209 4.340 0.000 0.000 0.206 156 L C 2.336 179.179 176.870 -0.045 0.000 1.074 156 L CA 2.753 57.504 54.840 -0.148 0.000 0.745 156 L CB -1.697 40.367 42.059 0.009 0.000 0.898 156 L HN 0.219 nan 8.230 nan 0.000 0.433 157 W N -0.141 121.087 121.300 -0.121 0.000 2.338 157 W HA -0.253 4.407 4.660 -0.000 0.000 0.304 157 W C 2.231 178.715 176.519 -0.058 0.000 1.212 157 W CA 1.993 59.279 57.345 -0.098 0.000 1.264 157 W CB -0.233 29.148 29.460 -0.130 0.000 1.142 157 W HN 0.102 nan 8.180 nan 0.000 0.512 158 M N 0.102 119.581 119.600 -0.201 0.000 2.117 158 M HA -0.183 4.297 4.480 0.000 0.000 0.262 158 M C 1.950 178.149 176.300 -0.169 0.000 1.065 158 M CA 1.499 56.617 55.300 -0.304 0.000 1.114 158 M CB -1.602 31.004 32.600 0.010 0.000 1.361 158 M HN -0.009 nan 8.290 nan 0.000 0.408 159 V N 0.739 120.486 119.914 -0.278 0.000 2.295 159 V HA -0.274 3.846 4.120 0.000 0.000 0.246 159 V C 2.520 178.530 176.094 -0.140 0.000 1.049 159 V CA 1.512 63.632 62.300 -0.301 0.000 1.024 159 V CB -0.661 30.807 31.823 -0.591 0.000 0.648 159 V HN 0.396 nan 8.190 nan 0.000 0.447 160 L N 0.170 121.307 121.223 -0.143 0.000 1.994 160 L HA -0.091 4.250 4.340 0.000 0.000 0.208 160 L C 2.387 179.232 176.870 -0.042 0.000 1.071 160 L CA 1.978 56.769 54.840 -0.082 0.000 0.745 160 L CB -0.845 41.142 42.059 -0.120 0.000 0.892 160 L HN 0.479 nan 8.230 nan 0.000 0.431 161 G N -2.802 105.945 108.800 -0.088 0.000 2.887 161 G HA2 -0.049 3.911 3.960 0.000 0.000 0.211 161 G HA3 -0.049 3.911 3.960 0.000 0.000 0.211 161 G C 0.905 175.960 174.900 0.258 0.000 1.152 161 G CA 0.003 45.130 45.100 0.046 0.000 0.769 161 G HN 0.256 nan 8.290 nan 0.000 0.541 162 F N -0.338 119.617 119.950 0.009 0.000 2.102 162 F HA 0.364 4.891 4.527 0.000 0.000 0.254 162 F C 2.090 177.952 175.800 0.103 0.000 0.975 162 F CA -0.067 58.013 58.000 0.133 0.000 1.176 162 F CB -0.060 38.974 39.000 0.056 0.000 1.358 162 F HN -0.044 nan 8.300 nan 0.000 0.728 163 I N 0.890 121.561 120.570 0.170 0.000 2.179 163 I HA -0.231 3.939 4.170 0.000 0.000 0.242 163 I C 2.547 178.642 176.117 -0.036 0.000 1.088 163 I CA 1.583 62.910 61.300 0.046 0.000 1.357 163 I CB -0.524 37.533 38.000 0.096 0.000 1.051 163 I HN 0.166 nan 8.210 nan 0.000 0.409 164 R N 0.970 121.464 120.500 -0.010 0.000 2.066 164 R HA -0.120 4.220 4.340 0.000 0.000 0.232 164 R C -0.397 175.894 176.300 -0.015 0.000 1.131 164 R CA 1.596 57.703 56.100 0.011 0.000 0.955 164 R CB -1.090 29.256 30.300 0.077 0.000 0.851 164 R HN 0.210 nan 8.270 nan 0.000 0.432 165 P HA -0.162 nan 4.420 nan 0.000 0.215 165 P C 1.180 178.302 177.300 -0.297 0.000 1.157 165 P CA 1.427 64.474 63.100 -0.088 0.000 0.874 165 P CB -0.058 31.670 31.700 0.047 0.000 0.790 166 I N -1.374 118.970 120.570 -0.375 0.000 2.179 166 I HA -0.219 3.951 4.170 0.000 0.000 0.242 166 I C 2.215 178.168 176.117 -0.274 0.000 1.088 166 I CA 1.369 62.395 61.300 -0.455 0.000 1.357 166 I CB -0.627 37.091 38.000 -0.470 0.000 1.051 166 I HN -0.127 nan 8.210 nan 0.000 0.409 167 L N -0.428 120.693 121.223 -0.169 0.000 2.275 167 L HA -0.155 4.185 4.340 0.000 0.000 0.215 167 L C 2.343 179.153 176.870 -0.100 0.000 1.119 167 L CA 0.652 55.429 54.840 -0.105 0.000 0.790 167 L CB -0.367 41.662 42.059 -0.050 0.000 0.919 167 L HN 0.313 nan 8.230 nan 0.000 0.443 168 M N -0.855 118.678 119.600 -0.111 0.000 2.506 168 M HA 0.149 4.629 4.480 0.000 0.000 0.260 168 M C 1.603 177.823 176.300 -0.133 0.000 1.104 168 M CA 1.008 56.253 55.300 -0.091 0.000 1.112 168 M CB -0.533 32.036 32.600 -0.052 0.000 1.401 168 M HN 0.395 nan 8.290 nan 0.000 0.473 169 G N 1.613 110.292 108.800 -0.202 0.000 2.141 169 G HA2 -0.194 3.766 3.960 0.000 0.000 0.231 169 G HA3 -0.194 3.766 3.960 0.000 0.000 0.231 169 G C 0.113 174.830 174.900 -0.304 0.000 0.984 169 G CA 0.436 45.393 45.100 -0.239 0.000 0.660 169 G HN 0.693 nan 8.290 nan 0.000 0.525 170 S N -2.190 113.302 115.700 -0.347 0.000 2.542 170 S HA 0.487 4.957 4.470 0.000 0.000 0.276 170 S C 0.338 174.749 174.600 -0.314 0.000 1.148 170 S CA -0.054 57.930 58.200 -0.360 0.000 0.886 170 S CB 0.357 63.452 63.200 -0.176 0.000 1.109 170 S HN 0.475 nan 8.310 nan 0.000 0.458 171 W N 1.783 122.989 121.300 -0.157 0.000 2.465 171 W HA -0.038 4.622 4.660 0.000 0.000 0.268 171 W C 2.657 178.981 176.519 -0.326 0.000 1.242 171 W CA 0.739 57.940 57.345 -0.241 0.000 1.248 171 W CB -0.129 29.154 29.460 -0.294 0.000 1.118 171 W HN 0.939 nan 8.180 nan 0.000 0.587 172 S N 0.008 115.692 115.700 -0.026 0.000 2.440 172 S HA -0.197 4.273 4.470 0.000 0.000 0.238 172 S C 1.463 176.071 174.600 0.014 0.000 1.010 172 S CA 1.187 59.352 58.200 -0.058 0.000 0.972 172 S CB -0.305 62.884 63.200 -0.018 0.000 0.774 172 S HN 0.221 nan 8.310 nan 0.000 0.501 173 E N 1.695 121.929 120.200 0.058 0.000 2.418 173 E HA 0.278 4.628 4.350 0.000 0.000 0.197 173 E C 1.068 177.867 176.600 0.331 0.000 1.026 173 E CA 0.551 57.067 56.400 0.194 0.000 0.862 173 E CB -0.337 29.444 29.700 0.134 0.000 0.799 173 E HN 0.739 nan 8.360 nan 0.000 0.518 174 A N 0.685 123.586 122.820 0.134 0.000 2.280 174 A HA 0.326 4.646 4.320 0.000 0.000 0.268 174 A C 0.306 177.771 177.584 -0.199 0.000 1.111 174 A CA -0.465 51.603 52.037 0.052 0.000 0.814 174 A CB 0.650 19.721 19.000 0.118 0.000 1.093 174 A HN -0.044 nan 8.150 nan 0.000 0.498 175 V N 2.368 122.015 119.914 -0.445 0.000 2.546 175 V HA 0.326 4.446 4.120 0.000 0.000 0.284 175 V C -1.916 173.969 176.094 -0.349 0.000 1.050 175 V CA -1.105 60.698 62.300 -0.828 0.000 0.981 175 V CB 0.935 32.248 31.823 -0.851 0.000 0.990 175 V HN 0.838 nan 8.190 nan 0.000 0.474 176 P HA 0.237 nan 4.420 nan 0.000 0.277 176 P C -1.410 175.860 177.300 -0.051 0.000 1.240 176 P CA -0.418 62.648 63.100 -0.058 0.000 0.798 176 P CB 0.472 32.222 31.700 0.083 0.000 0.979 177 Y N 0.755 121.244 120.300 0.314 0.000 2.650 177 Y HA 0.589 5.139 4.550 0.000 0.000 0.343 177 Y C 1.314 177.390 175.900 0.293 0.000 1.078 177 Y CA 0.246 58.483 58.100 0.227 0.000 1.356 177 Y CB 0.211 38.754 38.460 0.138 0.000 1.204 177 Y HN 0.530 nan 8.280 nan 0.000 0.508 178 G N 1.617 110.618 108.800 0.335 0.000 2.616 178 G HA2 0.341 4.301 3.960 0.000 0.000 0.294 178 G HA3 0.341 4.301 3.960 0.000 0.000 0.294 178 G C -0.072 174.933 174.900 0.175 0.000 1.489 178 G CA -0.784 44.502 45.100 0.311 0.000 0.836 178 G HN 0.211 nan 8.290 nan 0.000 0.527 179 I N 0.688 121.269 120.570 0.020 0.000 2.072 179 I HA -0.018 4.152 4.170 0.000 0.000 0.235 179 I C 2.528 178.754 176.117 0.182 0.000 1.058 179 I CA 1.407 62.650 61.300 -0.095 0.000 1.320 179 I CB -1.041 36.529 38.000 -0.717 0.000 1.047 179 I HN 0.444 nan 8.210 nan 0.000 0.397 180 F N 1.806 121.702 119.950 -0.091 0.000 2.206 180 F HA -0.117 4.410 4.527 0.000 0.000 0.298 180 F C 2.988 178.810 175.800 0.036 0.000 1.090 180 F CA 1.118 59.069 58.000 -0.081 0.000 1.323 180 F CB -1.645 37.218 39.000 -0.229 0.000 1.028 180 F HN 0.196 nan 8.300 nan 0.000 0.492 181 S N -0.058 115.813 115.700 0.284 0.000 2.399 181 S HA -0.231 4.239 4.470 0.000 0.000 0.231 181 S C 2.037 176.825 174.600 0.314 0.000 1.022 181 S CA 1.442 59.800 58.200 0.265 0.000 0.983 181 S CB -1.162 62.185 63.200 0.244 0.000 0.803 181 S HN 0.639 nan 8.310 nan 0.000 0.480 182 H N 2.062 121.241 119.070 0.182 0.000 2.502 182 H HA 0.194 4.750 4.556 0.000 0.000 0.283 182 H C 1.857 177.335 175.328 0.250 0.000 1.015 182 H CA 0.978 57.139 56.048 0.187 0.000 1.298 182 H CB -0.630 29.190 29.762 0.098 0.000 1.411 182 H HN 0.435 nan 8.280 nan 0.000 0.556 183 L N 0.726 121.854 121.223 -0.157 0.000 2.027 183 L HA -0.132 4.208 4.340 0.000 0.000 0.206 183 L C 2.289 179.179 176.870 0.033 0.000 1.074 183 L CA 1.397 56.158 54.840 -0.132 0.000 0.745 183 L CB -0.406 41.597 42.059 -0.092 0.000 0.898 183 L HN 0.125 nan 8.230 nan 0.000 0.433 184 D N -0.519 119.936 120.400 0.092 0.000 2.123 184 D HA -0.247 4.394 4.640 0.000 0.000 0.196 184 D C 1.761 178.149 176.300 0.146 0.000 0.992 184 D CA 1.213 55.270 54.000 0.095 0.000 0.833 184 D CB -0.286 40.583 40.800 0.114 0.000 0.954 184 D HN 0.425 nan 8.370 nan 0.000 0.455 185 W N 1.634 122.966 121.300 0.053 0.000 2.338 185 W HA -0.213 4.447 4.660 0.000 0.000 0.304 185 W C 2.226 178.806 176.519 0.102 0.000 1.212 185 W CA 2.091 59.489 57.345 0.089 0.000 1.264 185 W CB -0.336 29.190 29.460 0.111 0.000 1.142 185 W HN -0.151 nan 8.180 nan 0.000 0.512 186 T N 0.323 115.076 114.554 0.332 0.000 2.737 186 T HA -0.272 4.078 4.350 0.000 0.000 0.265 186 T C 1.433 176.130 174.700 -0.005 0.000 1.038 186 T CA 1.746 63.943 62.100 0.163 0.000 1.144 186 T CB -0.706 68.255 68.868 0.155 0.000 0.866 186 T HN 0.234 nan 8.240 nan 0.000 0.434 187 N N 1.427 120.123 118.700 -0.007 0.000 2.043 187 N HA -0.113 4.627 4.740 0.000 0.000 0.193 187 N C 1.599 177.069 175.510 -0.067 0.000 1.037 187 N CA 1.875 54.899 53.050 -0.043 0.000 0.851 187 N CB -0.496 37.969 38.487 -0.037 0.000 1.027 187 N HN 0.486 nan 8.380 nan 0.000 0.422 188 N N -1.269 117.377 118.700 -0.091 0.000 2.104 188 N HA -0.151 4.589 4.740 0.000 0.000 0.190 188 N C 1.435 176.839 175.510 -0.176 0.000 1.024 188 N CA 1.023 53.991 53.050 -0.137 0.000 0.853 188 N CB -0.289 38.106 38.487 -0.154 0.000 1.008 188 N HN 0.196 nan 8.380 nan 0.000 0.424 189 F N 1.452 121.146 119.950 -0.426 0.000 2.095 189 F HA -0.231 4.296 4.527 0.000 0.000 0.298 189 F C 2.701 178.480 175.800 -0.034 0.000 1.104 189 F CA 1.318 59.112 58.000 -0.342 0.000 1.232 189 F CB -0.472 38.129 39.000 -0.666 0.000 0.987 189 F HN -0.069 nan 8.300 nan 0.000 0.475 190 S N 0.098 115.883 115.700 0.141 0.000 2.368 190 S HA -0.153 4.317 4.470 0.000 0.000 0.224 190 S C 2.145 176.746 174.600 0.003 0.000 1.029 190 S CA 1.457 59.698 58.200 0.068 0.000 0.988 190 S CB -0.531 62.618 63.200 -0.086 0.000 0.838 190 S HN 0.418 nan 8.310 nan 0.000 0.462 191 L N 0.935 122.123 121.223 -0.059 0.000 2.042 191 L HA -0.070 4.270 4.340 0.000 0.000 0.210 191 L C 2.485 179.284 176.870 -0.117 0.000 1.076 191 L CA 1.089 55.882 54.840 -0.077 0.000 0.749 191 L CB -0.644 41.362 42.059 -0.088 0.000 0.893 191 L HN 0.223 nan 8.230 nan 0.000 0.432 192 V N -0.950 118.832 119.914 -0.220 0.000 2.626 192 V HA -0.258 3.862 4.120 0.000 0.000 0.252 192 V C 1.343 177.133 176.094 -0.507 0.000 1.067 192 V CA 1.610 63.671 62.300 -0.399 0.000 1.081 192 V CB -0.788 30.700 31.823 -0.558 0.000 0.686 192 V HN 0.507 nan 8.190 nan 0.000 0.468 193 H N -0.484 118.473 119.070 -0.188 0.000 2.507 193 H HA 0.467 5.024 4.556 0.000 0.000 0.294 193 H C 1.450 176.828 175.328 0.083 0.000 1.064 193 H CA 0.483 56.474 56.048 -0.095 0.000 1.138 193 H CB 0.104 29.818 29.762 -0.080 0.000 1.515 193 H HN 0.375 nan 8.280 nan 0.000 0.547 194 G N 1.603 110.483 108.800 0.133 0.000 2.160 194 G HA2 -0.340 3.620 3.960 0.000 0.000 0.244 194 G HA3 -0.340 3.620 3.960 0.000 0.000 0.244 194 G C -0.377 174.730 174.900 0.346 0.000 1.022 194 G CA 0.033 45.256 45.100 0.204 0.000 0.741 194 G HN 0.629 nan 8.290 nan 0.000 0.508 195 N N -2.316 116.527 118.700 0.239 0.000 3.367 195 N HA -0.128 4.612 4.740 0.000 0.000 0.269 195 N C 0.769 176.369 175.510 0.150 0.000 1.861 195 N CA 0.748 53.889 53.050 0.152 0.000 1.994 195 N CB -1.119 37.496 38.487 0.214 0.000 0.686 195 N HN 0.597 nan 8.380 nan 0.000 0.502 196 L N 4.004 125.159 121.223 -0.115 0.000 2.362 196 L HA 0.126 4.466 4.340 0.000 0.000 0.219 196 L C 1.745 178.433 176.870 -0.304 0.000 1.134 196 L CA 1.234 55.887 54.840 -0.312 0.000 0.807 196 L CB -0.470 41.246 42.059 -0.572 0.000 0.927 196 L HN 0.617 nan 8.230 nan 0.000 0.447 197 F N -1.825 117.981 119.950 -0.239 0.000 2.408 197 F HA -0.190 4.337 4.527 0.000 0.000 0.300 197 F C 1.678 177.348 175.800 -0.216 0.000 1.090 197 F CA 0.658 58.539 58.000 -0.199 0.000 1.427 197 F CB -1.032 37.798 39.000 -0.284 0.000 1.070 197 F HN 0.168 nan 8.300 nan 0.000 0.549 198 Y N -1.492 118.969 120.300 0.269 0.000 2.482 198 Y HA 0.099 4.649 4.550 -0.000 0.000 0.270 198 Y C 1.084 177.077 175.900 0.155 0.000 1.152 198 Y CA -0.529 57.751 58.100 0.300 0.000 1.292 198 Y CB -0.514 38.214 38.460 0.447 0.000 1.070 198 Y HN -0.161 nan 8.280 nan 0.000 0.528 199 N N 2.939 121.538 118.700 -0.169 0.000 2.420 199 N HA 0.032 4.772 4.740 0.000 0.000 0.262 199 N C -1.810 173.479 175.510 -0.367 0.000 1.144 199 N CA -1.905 50.582 53.050 -0.938 0.000 0.952 199 N CB 1.220 38.847 38.487 -1.433 0.000 1.081 199 N HN 0.010 nan 8.380 nan 0.000 0.480 200 P HA -0.119 nan 4.420 nan 0.000 0.218 200 P C 1.089 178.214 177.300 -0.292 0.000 1.148 200 P CA 1.172 64.151 63.100 -0.201 0.000 0.822 200 P CB 0.020 31.611 31.700 -0.182 0.000 0.784 201 F N -0.862 119.001 119.950 -0.145 0.000 2.259 201 F HA -0.108 4.419 4.527 0.000 0.000 0.298 201 F C 2.861 178.650 175.800 -0.019 0.000 1.088 201 F CA 1.098 59.069 58.000 -0.048 0.000 1.358 201 F CB -1.235 37.735 39.000 -0.050 0.000 1.040 201 F HN 0.098 nan 8.300 nan 0.000 0.505 202 H N -0.120 118.938 119.070 -0.020 0.000 2.357 202 H HA -0.068 4.488 4.556 0.000 0.000 0.301 202 H C 2.404 177.715 175.328 -0.027 0.000 1.082 202 H CA 1.488 57.520 56.048 -0.027 0.000 1.342 202 H CB -0.453 29.259 29.762 -0.084 0.000 1.389 202 H HN 0.319 nan 8.280 nan 0.000 0.511 203 G N 1.287 110.075 108.800 -0.019 0.000 2.422 203 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 203 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 203 G C 1.737 176.524 174.900 -0.188 0.000 1.146 203 G CA 0.507 45.544 45.100 -0.105 0.000 0.769 203 G HN 0.265 nan 8.290 nan 0.000 0.547 204 L N 1.000 122.143 121.223 -0.134 0.000 2.056 204 L HA 0.038 4.378 4.340 0.000 0.000 0.207 204 L C 3.039 179.835 176.870 -0.124 0.000 1.078 204 L CA 1.843 56.588 54.840 -0.158 0.000 0.749 204 L CB -1.095 40.982 42.059 0.031 0.000 0.901 204 L HN 0.296 nan 8.230 nan 0.000 0.433 205 S N -0.656 115.065 115.700 0.036 0.000 2.370 205 S HA -0.164 4.306 4.470 0.000 0.000 0.226 205 S C 2.081 176.623 174.600 -0.096 0.000 1.033 205 S CA 1.275 59.530 58.200 0.090 0.000 1.011 205 S CB -0.160 63.071 63.200 0.052 0.000 0.852 205 S HN 0.368 nan 8.310 nan 0.000 0.457 206 I N 1.378 121.757 120.570 -0.318 0.000 2.226 206 I HA -0.160 4.010 4.170 0.000 0.000 0.245 206 I C 2.766 178.535 176.117 -0.579 0.000 1.100 206 I CA 1.066 62.051 61.300 -0.524 0.000 1.374 206 I CB -0.554 37.073 38.000 -0.621 0.000 1.057 206 I HN 0.367 nan 8.210 nan 0.000 0.413 207 A N 0.878 123.419 122.820 -0.466 0.000 1.940 207 A HA -0.217 4.103 4.320 0.000 0.000 0.219 207 A C 1.999 179.384 177.584 -0.331 0.000 1.176 207 A CA 1.707 53.491 52.037 -0.421 0.000 0.631 207 A CB -0.900 17.778 19.000 -0.536 0.000 0.814 207 A HN 0.359 nan 8.150 nan 0.000 0.446 208 F N -1.007 118.934 119.950 -0.015 0.000 2.259 208 F HA 0.010 4.537 4.527 0.000 0.000 0.298 208 F C 1.943 177.778 175.800 0.058 0.000 1.088 208 F CA 0.843 58.874 58.000 0.052 0.000 1.358 208 F CB -0.664 38.384 39.000 0.080 0.000 1.040 208 F HN 0.238 nan 8.300 nan 0.000 0.505 209 L N -1.023 120.281 121.223 0.135 0.000 2.027 209 L HA -0.198 4.142 4.340 0.000 0.000 0.206 209 L C 2.240 179.246 176.870 0.227 0.000 1.074 209 L CA 1.793 56.712 54.840 0.133 0.000 0.745 209 L CB -0.888 41.195 42.059 0.041 0.000 0.898 209 L HN 0.021 nan 8.230 nan 0.000 0.433 210 Y N 0.059 120.391 120.300 0.054 0.000 2.181 210 Y HA -0.021 4.529 4.550 0.000 0.000 0.288 210 Y C 2.578 178.508 175.900 0.051 0.000 1.146 210 Y CA 0.762 58.883 58.100 0.036 0.000 1.164 210 Y CB -1.633 36.824 38.460 -0.005 0.000 0.982 210 Y HN 0.246 nan 8.280 nan 0.000 0.515 211 G N -1.248 107.686 108.800 0.223 0.000 2.448 211 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 211 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 211 G C 1.919 176.922 174.900 0.172 0.000 1.127 211 G CA 1.147 46.346 45.100 0.165 0.000 0.766 211 G HN 0.377 nan 8.290 nan 0.000 0.552 212 S N 0.796 116.619 115.700 0.204 0.000 2.383 212 S HA 0.046 4.516 4.470 0.000 0.000 0.227 212 S C 2.750 177.468 174.600 0.197 0.000 1.026 212 S CA 1.071 59.382 58.200 0.185 0.000 0.981 212 S CB -0.225 63.086 63.200 0.186 0.000 0.818 212 S HN 0.564 nan 8.310 nan 0.000 0.472 213 A N 1.347 124.283 122.820 0.193 0.000 1.929 213 A HA 0.046 4.366 4.320 0.000 0.000 0.216 213 A C 2.074 179.745 177.584 0.144 0.000 1.176 213 A CA 1.063 53.206 52.037 0.176 0.000 0.628 213 A CB -0.632 18.452 19.000 0.140 0.000 0.816 213 A HN 0.418 nan 8.150 nan 0.000 0.444 214 L N -0.547 120.741 121.223 0.109 0.000 1.994 214 L HA -0.118 4.222 4.340 0.000 0.000 0.208 214 L C 2.186 179.092 176.870 0.060 0.000 1.071 214 L CA 2.198 57.074 54.840 0.061 0.000 0.745 214 L CB -0.837 41.236 42.059 0.023 0.000 0.892 214 L HN 0.302 nan 8.230 nan 0.000 0.431 215 L N -1.442 119.817 121.223 0.060 0.000 2.056 215 L HA -0.158 4.182 4.340 0.000 0.000 0.207 215 L C 2.308 179.284 176.870 0.177 0.000 1.078 215 L CA 1.677 56.537 54.840 0.033 0.000 0.749 215 L CB -0.964 41.097 42.059 0.002 0.000 0.901 215 L HN 0.283 nan 8.230 nan 0.000 0.433 216 F N 0.165 120.164 119.950 0.082 0.000 2.186 216 F HA -0.085 4.442 4.527 0.000 0.000 0.299 216 F C 2.410 178.272 175.800 0.103 0.000 1.090 216 F CA 0.757 58.826 58.000 0.115 0.000 1.307 216 F CB -1.042 38.022 39.000 0.107 0.000 1.019 216 F HN 0.203 nan 8.300 nan 0.000 0.489 217 A N -0.157 122.820 122.820 0.263 0.000 1.877 217 A HA -0.224 4.096 4.320 0.000 0.000 0.216 217 A C 2.341 180.027 177.584 0.169 0.000 1.186 217 A CA 1.849 53.974 52.037 0.147 0.000 0.620 217 A CB -0.717 18.342 19.000 0.098 0.000 0.822 217 A HN 0.372 nan 8.150 nan 0.000 0.443 218 M N -1.973 117.737 119.600 0.183 0.000 2.067 218 M HA -0.169 4.311 4.480 0.000 0.000 0.260 218 M C 2.312 178.793 176.300 0.303 0.000 1.069 218 M CA 2.146 57.584 55.300 0.231 0.000 1.117 218 M CB -0.508 32.094 32.600 0.004 0.000 1.334 218 M HN 0.696 nan 8.290 nan 0.000 0.407 219 H N -0.153 119.040 119.070 0.205 0.000 2.326 219 H HA -0.037 4.519 4.556 0.000 0.000 0.301 219 H C 1.962 177.450 175.328 0.268 0.000 1.081 219 H CA 2.143 58.339 56.048 0.246 0.000 1.334 219 H CB -0.630 29.232 29.762 0.166 0.000 1.385 219 H HN 0.323 nan 8.280 nan 0.000 0.504 220 G N -0.042 108.886 108.800 0.212 0.000 2.446 220 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 220 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 220 G C 1.920 176.794 174.900 -0.044 0.000 1.168 220 G CA 1.175 46.300 45.100 0.042 0.000 0.771 220 G HN 0.616 nan 8.290 nan 0.000 0.551 221 A N 0.060 122.881 122.820 0.002 0.000 1.898 221 A HA 0.010 4.330 4.320 0.000 0.000 0.216 221 A C 2.537 180.071 177.584 -0.084 0.000 1.181 221 A CA 2.436 54.445 52.037 -0.047 0.000 0.620 221 A CB -0.921 18.067 19.000 -0.021 0.000 0.819 221 A HN 0.304 nan 8.150 nan 0.000 0.442 222 T N 0.533 115.073 114.554 -0.023 0.000 2.708 222 T HA -0.104 4.246 4.350 0.000 0.000 0.266 222 T C 1.797 176.459 174.700 -0.064 0.000 1.037 222 T CA 1.473 63.542 62.100 -0.052 0.000 1.146 222 T CB -0.280 68.704 68.868 0.193 0.000 0.865 222 T HN 0.293 nan 8.240 nan 0.000 0.435 223 I N 1.193 121.718 120.570 -0.075 0.000 2.226 223 I HA -0.064 4.106 4.170 0.000 0.000 0.245 223 I C 2.330 178.407 176.117 -0.065 0.000 1.100 223 I CA 1.197 62.464 61.300 -0.054 0.000 1.374 223 I CB -1.312 36.619 38.000 -0.115 0.000 1.057 223 I HN 0.279 nan 8.210 nan 0.000 0.413 224 L N 0.615 121.776 121.223 -0.105 0.000 2.083 224 L HA -0.156 4.184 4.340 0.000 0.000 0.209 224 L C 2.738 179.530 176.870 -0.131 0.000 1.083 224 L CA 1.292 56.055 54.840 -0.128 0.000 0.752 224 L CB -0.732 41.231 42.059 -0.160 0.000 0.899 224 L HN 0.171 nan 8.230 nan 0.000 0.433 225 A N -0.032 122.708 122.820 -0.132 0.000 2.015 225 A HA -0.098 4.222 4.320 0.000 0.000 0.219 225 A C 1.929 179.468 177.584 -0.074 0.000 1.163 225 A CA 1.661 53.617 52.037 -0.136 0.000 0.646 225 A CB -0.540 18.340 19.000 -0.201 0.000 0.806 225 A HN 0.358 nan 8.150 nan 0.000 0.448 226 V N -1.960 117.943 119.914 -0.018 0.000 3.376 226 V HA 0.134 4.254 4.120 0.000 0.000 0.313 226 V C 1.596 177.730 176.094 0.066 0.000 1.393 226 V CA 0.893 63.272 62.300 0.132 0.000 1.125 226 V CB -0.690 31.257 31.823 0.206 0.000 1.037 226 V HN 0.542 nan 8.190 nan 0.000 0.440 227 S N 2.339 118.010 115.700 -0.050 0.000 2.447 227 S HA -0.209 4.261 4.470 0.000 0.000 0.233 227 S C 1.966 176.486 174.600 -0.133 0.000 1.006 227 S CA 1.133 59.297 58.200 -0.059 0.000 0.957 227 S CB -0.701 62.457 63.200 -0.070 0.000 0.773 227 S HN 0.861 nan 8.310 nan 0.000 0.507 228 R N 0.232 120.548 120.500 -0.306 0.000 2.341 228 R HA 0.043 4.383 4.340 0.000 0.000 0.213 228 R C 0.102 176.020 176.300 -0.637 0.000 1.082 228 R CA 0.987 56.797 56.100 -0.484 0.000 1.017 228 R CB -0.670 29.242 30.300 -0.646 0.000 0.860 228 R HN 0.568 nan 8.270 nan 0.000 0.473 229 F N -0.124 119.828 119.950 0.004 0.000 2.791 229 F HA 0.460 4.987 4.527 0.000 0.000 0.316 229 F C 1.066 176.877 175.800 0.018 0.000 1.134 229 F CA -0.463 57.542 58.000 0.009 0.000 1.222 229 F CB 1.122 40.124 39.000 0.003 0.000 1.034 229 F HN 0.148 nan 8.300 nan 0.000 0.516 230 G N 0.672 109.534 108.800 0.103 0.000 2.176 230 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 230 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 230 G C 1.420 176.383 174.900 0.105 0.000 1.024 230 G CA 0.250 45.402 45.100 0.086 0.000 0.755 230 G HN 0.718 nan 8.290 nan 0.000 0.507 231 G N 0.884 109.759 108.800 0.126 0.000 2.462 231 G HA2 -0.103 3.857 3.960 0.000 0.000 0.220 231 G HA3 -0.103 3.857 3.960 0.000 0.000 0.220 231 G C 1.446 176.421 174.900 0.124 0.000 1.121 231 G CA 1.500 46.686 45.100 0.144 0.000 0.758 231 G HN 0.882 nan 8.290 nan 0.000 0.559 232 E N 0.913 121.161 120.200 0.079 0.000 2.482 232 E HA -0.044 4.306 4.350 0.000 0.000 0.196 232 E C 0.990 177.630 176.600 0.066 0.000 1.047 232 E CA -0.062 56.381 56.400 0.071 0.000 0.869 232 E CB -0.187 29.532 29.700 0.031 0.000 0.836 232 E HN 0.301 nan 8.360 nan 0.000 0.520 233 R N 1.644 122.182 120.500 0.064 0.000 4.164 233 R HA 0.130 4.470 4.340 0.000 0.000 0.195 233 R C 0.842 177.176 176.300 0.057 0.000 1.712 233 R CA -0.033 56.096 56.100 0.048 0.000 1.457 233 R CB 0.037 30.363 30.300 0.044 0.000 1.387 233 R HN 0.256 nan 8.270 nan 0.000 0.785 234 E N 0.706 120.941 120.200 0.059 0.000 2.118 234 E HA -0.226 4.124 4.350 0.000 0.000 0.195 234 E C 1.352 177.957 176.600 0.009 0.000 0.992 234 E CA 1.136 57.573 56.400 0.062 0.000 0.804 234 E CB 0.017 29.748 29.700 0.052 0.000 0.741 234 E HN 0.473 nan 8.360 nan 0.000 0.458 235 L N 0.580 121.787 121.223 -0.025 0.000 2.017 235 L HA -0.203 4.137 4.340 0.000 0.000 0.208 235 L C 2.551 179.416 176.870 -0.009 0.000 1.073 235 L CA 1.223 56.040 54.840 -0.037 0.000 0.745 235 L CB -0.261 41.769 42.059 -0.050 0.000 0.894 235 L HN 0.075 nan 8.230 nan 0.000 0.432 236 E N -0.478 119.727 120.200 0.008 0.000 2.208 236 E HA -0.169 4.181 4.350 0.000 0.000 0.193 236 E C 2.250 178.870 176.600 0.034 0.000 0.988 236 E CA 0.655 57.066 56.400 0.018 0.000 0.828 236 E CB 0.114 29.827 29.700 0.021 0.000 0.763 236 E HN 0.302 nan 8.360 nan 0.000 0.478 237 Q N -0.152 119.680 119.800 0.053 0.000 2.170 237 Q HA -0.113 4.227 4.340 0.000 0.000 0.203 237 Q C 2.226 178.266 176.000 0.067 0.000 0.976 237 Q CA 0.995 56.845 55.803 0.078 0.000 0.858 237 Q CB -0.026 28.786 28.738 0.123 0.000 0.907 237 Q HN 0.450 nan 8.270 nan 0.000 0.433 238 I N 0.271 120.865 120.570 0.041 0.000 2.286 238 I HA -0.208 3.962 4.170 0.000 0.000 0.245 238 I C 2.245 178.371 176.117 0.014 0.000 1.104 238 I CA 0.985 62.298 61.300 0.020 0.000 1.397 238 I CB -0.270 37.723 38.000 -0.011 0.000 1.072 238 I HN 0.041 nan 8.210 nan 0.000 0.417 239 A N -0.835 121.991 122.820 0.011 0.000 2.014 239 A HA -0.135 4.185 4.320 0.000 0.000 0.218 239 A C 0.766 178.359 177.584 0.016 0.000 1.163 239 A CA 1.343 53.385 52.037 0.008 0.000 0.652 239 A CB -0.044 18.957 19.000 0.003 0.000 0.808 239 A HN 0.404 nan 8.150 nan 0.000 0.449 240 D N -1.224 119.190 120.400 0.025 0.000 2.584 240 D HA 0.118 4.758 4.640 0.000 0.000 0.238 240 D C -0.434 175.889 176.300 0.038 0.000 1.302 240 D CA -0.434 53.582 54.000 0.027 0.000 0.884 240 D CB -0.043 40.771 40.800 0.023 0.000 1.456 240 D HN 0.238 nan 8.370 nan 0.000 0.528 241 R N 1.186 121.713 120.500 0.044 0.000 2.481 241 R HA 0.326 4.667 4.340 0.000 0.000 0.291 241 R C 0.381 176.709 176.300 0.047 0.000 0.934 241 R CA 0.745 56.880 56.100 0.058 0.000 1.116 241 R CB 0.257 30.592 30.300 0.059 0.000 0.895 241 R HN 0.386 nan 8.270 nan 0.000 0.410 242 G N 0.800 109.632 108.800 0.054 0.000 2.887 242 G HA2 0.085 4.045 3.960 0.000 0.000 0.277 242 G HA3 0.085 4.045 3.960 0.000 0.000 0.277 242 G C 0.434 175.327 174.900 -0.010 0.000 1.346 242 G CA -0.266 44.852 45.100 0.030 0.000 1.058 242 G HN 0.567 nan 8.290 nan 0.000 0.535 243 T N -0.420 114.094 114.554 -0.067 0.000 2.915 243 T HA -0.021 4.329 4.350 0.000 0.000 0.269 243 T C 2.579 177.115 174.700 -0.273 0.000 1.071 243 T CA 2.245 64.220 62.100 -0.208 0.000 1.132 243 T CB -0.557 68.124 68.868 -0.311 0.000 0.878 243 T HN 0.639 nan 8.240 nan 0.000 0.479 244 A N 1.227 123.986 122.820 -0.102 0.000 1.865 244 A HA 0.102 4.422 4.320 0.000 0.000 0.217 244 A C 2.718 180.317 177.584 0.024 0.000 1.191 244 A CA 2.172 54.228 52.037 0.031 0.000 0.623 244 A CB -1.399 17.718 19.000 0.195 0.000 0.826 244 A HN 0.634 nan 8.150 nan 0.000 0.444 245 A N -0.561 122.320 122.820 0.102 0.000 1.933 245 A HA -0.152 4.168 4.320 0.000 0.000 0.218 245 A C 1.931 179.573 177.584 0.098 0.000 1.175 245 A CA 1.636 53.806 52.037 0.221 0.000 0.628 245 A CB -0.495 18.673 19.000 0.280 0.000 0.814 245 A HN 0.669 nan 8.150 nan 0.000 0.444 246 E N -0.459 119.733 120.200 -0.014 0.000 2.047 246 E HA -0.165 4.185 4.350 0.000 0.000 0.191 246 E C 2.335 178.815 176.600 -0.199 0.000 0.987 246 E CA 1.052 57.406 56.400 -0.077 0.000 0.799 246 E CB -0.171 29.474 29.700 -0.092 0.000 0.752 246 E HN 0.550 nan 8.360 nan 0.000 0.449 247 R N 0.593 120.939 120.500 -0.256 0.000 2.096 247 R HA -0.079 4.261 4.340 0.000 0.000 0.235 247 R C 2.372 178.462 176.300 -0.351 0.000 1.127 247 R CA 1.080 56.989 56.100 -0.318 0.000 0.968 247 R CB -0.286 29.826 30.300 -0.314 0.000 0.861 247 R HN 0.096 nan 8.270 nan 0.000 0.440 248 A N 1.424 124.015 122.820 -0.382 0.000 1.877 248 A HA -0.117 4.203 4.320 0.000 0.000 0.216 248 A C 2.412 179.516 177.584 -0.800 0.000 1.186 248 A CA 1.664 53.318 52.037 -0.638 0.000 0.620 248 A CB -0.778 17.715 19.000 -0.846 0.000 0.822 248 A HN 0.383 nan 8.150 nan 0.000 0.443 249 A N -0.184 122.251 122.820 -0.642 0.000 1.883 249 A HA -0.120 4.200 4.320 0.000 0.000 0.217 249 A C 2.194 179.643 177.584 -0.225 0.000 1.186 249 A CA 1.694 53.599 52.037 -0.220 0.000 0.624 249 A CB -0.707 18.367 19.000 0.124 0.000 0.822 249 A HN 0.490 nan 8.150 nan 0.000 0.444 250 L N -2.269 118.712 121.223 -0.403 0.000 2.093 250 L HA -0.134 4.206 4.340 0.000 0.000 0.208 250 L C 2.465 178.849 176.870 -0.810 0.000 1.085 250 L CA 1.445 55.837 54.840 -0.746 0.000 0.755 250 L CB -0.591 40.823 42.059 -1.075 0.000 0.904 250 L HN 0.502 nan 8.230 nan 0.000 0.435 251 F N 0.164 119.679 119.950 -0.724 0.000 2.065 251 F HA -0.288 4.239 4.527 0.000 0.000 0.298 251 F C 2.048 177.492 175.800 -0.594 0.000 1.112 251 F CA 1.820 59.406 58.000 -0.690 0.000 1.212 251 F CB -0.429 38.062 39.000 -0.848 0.000 0.975 251 F HN -0.019 nan 8.300 nan 0.000 0.476 252 W N 0.254 121.509 121.300 -0.074 0.000 2.436 252 W HA -0.021 4.639 4.660 -0.000 0.000 0.284 252 W C 2.755 179.287 176.519 0.021 0.000 1.225 252 W CA 0.974 58.329 57.345 0.017 0.000 1.271 252 W CB -0.401 29.166 29.460 0.178 0.000 1.114 252 W HN -0.081 nan 8.180 nan 0.000 0.559 253 R N -0.153 120.426 120.500 0.132 0.000 2.062 253 R HA -0.162 4.178 4.340 0.000 0.000 0.231 253 R C 1.952 178.377 176.300 0.208 0.000 1.136 253 R CA 1.945 58.139 56.100 0.155 0.000 0.948 253 R CB -0.766 29.581 30.300 0.079 0.000 0.845 253 R HN 0.104 nan 8.270 nan 0.000 0.430 254 W N 0.653 121.889 121.300 -0.106 0.000 2.402 254 W HA -0.014 4.646 4.660 0.000 0.000 0.286 254 W C 2.169 178.564 176.519 -0.207 0.000 1.221 254 W CA 1.039 58.289 57.345 -0.158 0.000 1.257 254 W CB -1.127 28.210 29.460 -0.204 0.000 1.120 254 W HN 0.157 nan 8.180 nan 0.000 0.551 255 T N 0.635 115.122 114.554 -0.112 0.000 2.770 255 T HA -0.110 4.240 4.350 0.000 0.000 0.263 255 T C 1.555 176.264 174.700 0.014 0.000 1.039 255 T CA 1.973 63.963 62.100 -0.183 0.000 1.142 255 T CB -0.223 68.356 68.868 -0.481 0.000 0.868 255 T HN 0.232 nan 8.240 nan 0.000 0.435 256 M N -1.369 118.304 119.600 0.121 0.000 2.621 256 M HA 0.609 5.089 4.480 0.000 0.000 0.421 256 M C 0.887 177.298 176.300 0.185 0.000 1.180 256 M CA -0.162 55.223 55.300 0.142 0.000 0.875 256 M CB 0.777 33.462 32.600 0.142 0.000 1.572 256 M HN 0.151 nan 8.290 nan 0.000 0.541 257 G N 1.758 110.680 108.800 0.203 0.000 2.179 257 G HA2 -0.311 3.649 3.960 0.000 0.000 0.257 257 G HA3 -0.311 3.649 3.960 0.000 0.000 0.257 257 G C -0.370 174.694 174.900 0.274 0.000 1.010 257 G CA 0.316 45.539 45.100 0.205 0.000 0.736 257 G HN 0.640 nan 8.290 nan 0.000 0.513 258 F N 1.400 121.440 119.950 0.150 0.000 2.396 258 F HA 0.592 5.119 4.527 0.000 0.000 0.343 258 F C 0.373 176.294 175.800 0.202 0.000 1.104 258 F CA -1.685 56.401 58.000 0.144 0.000 1.161 258 F CB 0.707 39.767 39.000 0.100 0.000 1.146 258 F HN 0.043 nan 8.300 nan 0.000 0.522 259 N N 5.277 123.844 118.700 -0.221 0.000 2.497 259 N HA 0.110 4.850 4.740 0.000 0.000 0.271 259 N C -1.593 173.769 175.510 -0.246 0.000 1.142 259 N CA 0.048 53.009 53.050 -0.149 0.000 0.965 259 N CB 0.610 39.020 38.487 -0.128 0.000 1.077 259 N HN 0.804 nan 8.380 nan 0.000 0.462 260 W N 1.553 122.767 121.300 -0.143 0.000 3.259 260 W HA 0.350 5.010 4.660 0.000 0.000 0.331 260 W C -0.733 175.809 176.519 0.038 0.000 1.144 260 W CA -0.514 56.808 57.345 -0.038 0.000 1.227 260 W CB 1.069 30.621 29.460 0.154 0.000 1.371 260 W HN 0.525 nan 8.180 nan 0.000 0.491 261 T N 2.323 116.742 114.554 -0.225 0.000 2.916 261 T HA 0.306 4.656 4.350 0.000 0.000 0.292 261 T C 0.358 174.506 174.700 -0.920 0.000 1.064 261 T CA -0.745 61.206 62.100 -0.248 0.000 1.011 261 T CB 1.793 70.602 68.868 -0.099 0.000 1.152 261 T HN 0.589 nan 8.240 nan 0.000 0.510 262 M N 0.637 119.943 119.600 -0.491 0.000 2.117 262 M HA 0.021 4.501 4.480 0.000 0.000 0.262 262 M C 2.098 178.324 176.300 -0.123 0.000 1.065 262 M CA 1.908 57.018 55.300 -0.317 0.000 1.114 262 M CB -0.740 31.910 32.600 0.084 0.000 1.361 262 M HN 0.896 nan 8.290 nan 0.000 0.408 263 E N -1.234 118.906 120.200 -0.099 0.000 2.051 263 E HA -0.082 4.268 4.350 0.000 0.000 0.189 263 E C 1.985 178.543 176.600 -0.070 0.000 0.979 263 E CA 1.048 57.428 56.400 -0.032 0.000 0.803 263 E CB -0.524 29.146 29.700 -0.050 0.000 0.761 263 E HN 0.621 nan 8.360 nan 0.000 0.451 264 G N 1.510 110.209 108.800 -0.168 0.000 2.469 264 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 264 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 264 G C 1.529 176.348 174.900 -0.135 0.000 1.136 264 G CA 0.884 45.892 45.100 -0.153 0.000 0.759 264 G HN 0.331 nan 8.290 nan 0.000 0.562 265 I N 0.423 120.766 120.570 -0.379 0.000 2.493 265 I HA -0.056 4.114 4.170 0.000 0.000 0.254 265 I C 2.307 178.163 176.117 -0.434 0.000 1.160 265 I CA 1.029 62.086 61.300 -0.405 0.000 1.445 265 I CB -0.281 37.265 38.000 -0.756 0.000 1.086 265 I HN 0.279 nan 8.210 nan 0.000 0.433 266 H N -0.491 118.442 119.070 -0.228 0.000 2.462 266 H HA 0.082 4.638 4.556 0.000 0.000 0.292 266 H C 2.247 177.515 175.328 -0.101 0.000 1.049 266 H CA 0.985 56.915 56.048 -0.196 0.000 1.334 266 H CB -0.037 29.616 29.762 -0.182 0.000 1.404 266 H HN 0.241 nan 8.280 nan 0.000 0.544 267 R N -0.462 120.048 120.500 0.016 0.000 2.073 267 R HA -0.133 4.207 4.340 0.000 0.000 0.229 267 R C 1.601 177.965 176.300 0.106 0.000 1.120 267 R CA 1.319 57.451 56.100 0.054 0.000 0.967 267 R CB -0.339 29.960 30.300 -0.001 0.000 0.862 267 R HN 0.385 nan 8.270 nan 0.000 0.436 268 W N 1.083 122.395 121.300 0.019 0.000 2.335 268 W HA -0.181 4.479 4.660 0.000 0.000 0.311 268 W C 2.610 179.131 176.519 0.003 0.000 1.213 268 W CA 1.372 58.744 57.345 0.044 0.000 1.274 268 W CB -0.352 29.117 29.460 0.014 0.000 1.148 268 W HN 0.181 nan 8.180 nan 0.000 0.498 269 A N 0.021 122.901 122.820 0.101 0.000 1.883 269 A HA -0.233 4.087 4.320 0.000 0.000 0.217 269 A C 1.925 179.484 177.584 -0.042 0.000 1.186 269 A CA 1.867 53.868 52.037 -0.059 0.000 0.624 269 A CB -1.002 17.838 19.000 -0.266 0.000 0.822 269 A HN 0.389 nan 8.150 nan 0.000 0.444 270 I N -2.297 118.238 120.570 -0.057 0.000 2.286 270 I HA -0.218 3.952 4.170 0.000 0.000 0.245 270 I C 2.274 178.273 176.117 -0.197 0.000 1.104 270 I CA 1.248 62.454 61.300 -0.157 0.000 1.397 270 I CB -0.097 37.764 38.000 -0.231 0.000 1.072 270 I HN 0.602 nan 8.210 nan 0.000 0.417 271 W N -0.077 121.197 121.300 -0.044 0.000 2.418 271 W HA -0.196 4.464 4.660 0.000 0.000 0.292 271 W C 2.446 178.905 176.519 -0.099 0.000 1.213 271 W CA 0.738 58.029 57.345 -0.090 0.000 1.283 271 W CB -0.286 29.085 29.460 -0.149 0.000 1.119 271 W HN 0.140 nan 8.180 nan 0.000 0.542 272 M N 0.981 120.712 119.600 0.217 0.000 2.080 272 M HA -0.172 4.308 4.480 0.000 0.000 0.260 272 M C 2.106 178.476 176.300 0.117 0.000 1.068 272 M CA 2.473 57.893 55.300 0.199 0.000 1.109 272 M CB -0.851 31.903 32.600 0.256 0.000 1.342 272 M HN -0.032 nan 8.290 nan 0.000 0.405 273 A N -1.331 121.532 122.820 0.073 0.000 1.854 273 A HA -0.062 4.258 4.320 0.000 0.000 0.214 273 A C 2.188 179.795 177.584 0.038 0.000 1.192 273 A CA 1.752 53.825 52.037 0.061 0.000 0.611 273 A CB -1.232 17.784 19.000 0.027 0.000 0.832 273 A HN 0.352 nan 8.150 nan 0.000 0.442 274 V N 0.225 120.128 119.914 -0.019 0.000 2.490 274 V HA -0.233 3.887 4.120 0.000 0.000 0.250 274 V C 2.471 178.571 176.094 0.009 0.000 1.061 274 V CA 1.851 64.134 62.300 -0.028 0.000 1.064 274 V CB -0.621 31.090 31.823 -0.187 0.000 0.670 274 V HN 0.559 nan 8.190 nan 0.000 0.461 275 L N -0.943 120.239 121.223 -0.068 0.000 2.275 275 L HA -0.107 4.233 4.340 0.000 0.000 0.215 275 L C 2.330 179.181 176.870 -0.032 0.000 1.119 275 L CA 0.531 55.235 54.840 -0.227 0.000 0.790 275 L CB -0.480 41.011 42.059 -0.948 0.000 0.919 275 L HN 0.205 nan 8.230 nan 0.000 0.443 276 V N 0.066 120.037 119.914 0.095 0.000 2.233 276 V HA -0.330 3.790 4.120 0.000 0.000 0.247 276 V C 2.616 178.823 176.094 0.188 0.000 1.050 276 V CA 2.656 65.079 62.300 0.205 0.000 1.010 276 V CB -0.982 30.946 31.823 0.175 0.000 0.637 276 V HN 0.668 nan 8.190 nan 0.000 0.444 277 T N -1.998 112.661 114.554 0.175 0.000 3.054 277 T HA -0.003 4.347 4.350 0.000 0.000 0.259 277 T C 1.785 176.683 174.700 0.330 0.000 1.092 277 T CA 0.876 63.103 62.100 0.211 0.000 1.121 277 T CB -0.120 68.865 68.868 0.196 0.000 0.912 277 T HN 0.224 nan 8.240 nan 0.000 0.489 278 L N 3.048 124.442 121.223 0.285 0.000 2.005 278 L HA -0.015 4.325 4.340 0.000 0.000 0.207 278 L C 2.759 179.840 176.870 0.351 0.000 1.072 278 L CA 2.623 57.642 54.840 0.299 0.000 0.744 278 L CB -1.428 40.701 42.059 0.118 0.000 0.895 278 L HN 0.516 nan 8.230 nan 0.000 0.433 279 T N -3.396 111.332 114.554 0.290 0.000 2.777 279 T HA -0.062 4.288 4.350 0.000 0.000 0.266 279 T C 2.000 176.877 174.700 0.296 0.000 1.040 279 T CA 0.925 63.242 62.100 0.362 0.000 1.141 279 T CB -1.580 67.569 68.868 0.468 0.000 0.868 279 T HN 0.386 nan 8.240 nan 0.000 0.444 280 G N 1.450 110.395 108.800 0.242 0.000 2.446 280 G HA2 0.009 3.969 3.960 0.000 0.000 0.217 280 G HA3 0.009 3.969 3.960 0.000 0.000 0.217 280 G C 1.770 176.711 174.900 0.069 0.000 1.168 280 G CA 0.788 45.980 45.100 0.152 0.000 0.771 280 G HN 0.684 nan 8.290 nan 0.000 0.551 281 G N 0.966 109.806 108.800 0.067 0.000 2.440 281 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 281 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 281 G C 1.789 176.619 174.900 -0.115 0.000 1.154 281 G CA 0.906 45.848 45.100 -0.263 0.000 0.767 281 G HN 0.461 nan 8.290 nan 0.000 0.552 282 I N 1.186 121.845 120.570 0.147 0.000 2.179 282 I HA -0.081 4.089 4.170 0.000 0.000 0.242 282 I C 3.114 179.073 176.117 -0.264 0.000 1.088 282 I CA 1.021 62.271 61.300 -0.083 0.000 1.357 282 I CB -0.527 37.215 38.000 -0.429 0.000 1.051 282 I HN 0.241 nan 8.210 nan 0.000 0.409 283 G N 1.406 110.084 108.800 -0.204 0.000 2.440 283 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 283 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 283 G C 1.575 176.494 174.900 0.032 0.000 1.154 283 G CA 0.620 45.698 45.100 -0.036 0.000 0.767 283 G HN 0.189 nan 8.290 nan 0.000 0.552 284 I N 0.316 120.884 120.570 -0.005 0.000 2.286 284 I HA -0.012 4.158 4.170 0.000 0.000 0.245 284 I C 2.633 178.790 176.117 0.067 0.000 1.104 284 I CA 0.497 61.808 61.300 0.018 0.000 1.397 284 I CB -1.146 36.787 38.000 -0.113 0.000 1.072 284 I HN 0.124 nan 8.210 nan 0.000 0.417 285 L N 0.905 122.112 121.223 -0.026 0.000 2.043 285 L HA -0.171 4.169 4.340 0.000 0.000 0.212 285 L C 2.296 179.201 176.870 0.059 0.000 1.075 285 L CA 1.852 56.685 54.840 -0.012 0.000 0.752 285 L CB -0.582 41.453 42.059 -0.039 0.000 0.891 285 L HN 0.138 nan 8.230 nan 0.000 0.432 286 L N -1.214 120.066 121.223 0.094 0.000 2.395 286 L HA -0.014 4.326 4.340 0.000 0.000 0.218 286 L C 0.802 177.769 176.870 0.162 0.000 1.130 286 L CA -0.065 54.857 54.840 0.137 0.000 0.826 286 L CB -0.409 41.782 42.059 0.221 0.000 0.941 286 L HN 0.073 nan 8.230 nan 0.000 0.451 287 S N 0.200 116.032 115.700 0.220 0.000 2.455 287 S HA 0.400 4.870 4.470 0.000 0.000 0.278 287 S C 1.093 175.693 174.600 -0.001 0.000 1.216 287 S CA 0.383 58.656 58.200 0.121 0.000 1.055 287 S CB 1.026 64.274 63.200 0.080 0.000 0.939 287 S HN 0.552 nan 8.310 nan 0.000 0.494 288 G N 3.167 111.998 108.800 0.051 0.000 2.299 288 G HA2 -0.364 3.596 3.960 0.000 0.000 0.237 288 G HA3 -0.364 3.596 3.960 0.000 0.000 0.237 288 G C 1.089 175.996 174.900 0.012 0.000 1.027 288 G CA 0.830 45.982 45.100 0.087 0.000 0.619 288 G HN 0.811 nan 8.290 nan 0.000 0.513 289 T N -2.223 112.337 114.554 0.010 0.000 2.939 289 T HA 0.398 4.748 4.350 0.000 0.000 0.254 289 T C 2.073 176.763 174.700 -0.017 0.000 1.041 289 T CA 2.100 64.199 62.100 -0.001 0.000 1.142 289 T CB 0.190 69.067 68.868 0.015 0.000 0.874 289 T HN 0.665 nan 8.240 nan 0.000 0.452 290 V N 0.085 119.980 119.914 -0.032 0.000 3.219 290 V HA 0.377 4.497 4.120 0.000 0.000 0.240 290 V C 0.261 176.284 176.094 -0.118 0.000 1.222 290 V CA -0.089 62.184 62.300 -0.044 0.000 1.181 290 V CB 1.191 33.007 31.823 -0.012 0.000 0.941 290 V HN 0.316 nan 8.190 nan 0.000 0.471 291 V N 1.301 121.072 119.914 -0.238 0.000 2.407 291 V HA 0.402 4.522 4.120 0.000 0.000 0.291 291 V C 0.309 176.178 176.094 -0.374 0.000 1.018 291 V CA -0.380 61.635 62.300 -0.474 0.000 0.842 291 V CB 1.525 32.612 31.823 -1.227 0.000 0.996 291 V HN 0.294 nan 8.190 nan 0.000 0.426 292 D N 2.507 122.760 120.400 -0.244 0.000 2.249 292 D HA 0.021 4.661 4.640 0.000 0.000 0.205 292 D C 0.604 176.805 176.300 -0.166 0.000 0.962 292 D CA 1.015 54.923 54.000 -0.153 0.000 0.860 292 D CB 0.458 41.187 40.800 -0.118 0.000 0.955 292 D HN 0.516 nan 8.370 nan 0.000 0.505 293 N N -0.564 118.001 118.700 -0.226 0.000 2.549 293 N HA -0.005 4.735 4.740 0.000 0.000 0.290 293 N C -0.222 175.253 175.510 -0.059 0.000 1.122 293 N CA -0.421 52.582 53.050 -0.079 0.000 0.885 293 N CB 0.438 38.923 38.487 -0.003 0.000 1.455 293 N HN -0.137 nan 8.380 nan 0.000 0.521 294 W N 1.976 123.411 121.300 0.225 0.000 2.402 294 W HA -0.082 4.578 4.660 -0.000 0.000 0.286 294 W C 1.790 178.493 176.519 0.306 0.000 1.221 294 W CA 0.516 58.039 57.345 0.297 0.000 1.257 294 W CB -0.276 29.363 29.460 0.299 0.000 1.120 294 W HN 0.680 nan 8.180 nan 0.000 0.551 295 Y N 0.727 121.168 120.300 0.234 0.000 2.128 295 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 295 Y C 2.228 178.069 175.900 -0.099 0.000 1.154 295 Y CA 2.093 60.074 58.100 -0.197 0.000 1.149 295 Y CB -0.863 37.474 38.460 -0.205 0.000 0.976 295 Y HN -0.219 nan 8.280 nan 0.000 0.505 296 V N -0.634 119.257 119.914 -0.039 0.000 2.295 296 V HA -0.320 3.800 4.120 0.000 0.000 0.246 296 V C 2.114 178.129 176.094 -0.132 0.000 1.049 296 V CA 2.075 64.291 62.300 -0.139 0.000 1.024 296 V CB -1.141 30.677 31.823 -0.009 0.000 0.648 296 V HN 0.726 nan 8.190 nan 0.000 0.447 297 W N 1.328 122.534 121.300 -0.158 0.000 2.338 297 W HA -0.128 4.532 4.660 0.000 0.000 0.304 297 W C 2.307 178.773 176.519 -0.087 0.000 1.212 297 W CA 1.920 59.202 57.345 -0.105 0.000 1.264 297 W CB -0.631 28.762 29.460 -0.112 0.000 1.142 297 W HN 0.248 nan 8.180 nan 0.000 0.512 298 G N -0.301 108.586 108.800 0.144 0.000 2.432 298 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 298 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 298 G C 1.415 175.944 174.900 -0.619 0.000 1.135 298 G CA 0.903 45.930 45.100 -0.120 0.000 0.767 298 G HN 0.265 nan 8.290 nan 0.000 0.550 299 Q N 0.450 119.900 119.800 -0.584 0.000 2.119 299 Q HA -0.039 4.301 4.340 0.000 0.000 0.201 299 Q C 2.253 177.915 176.000 -0.564 0.000 0.972 299 Q CA 1.010 56.473 55.803 -0.566 0.000 0.847 299 Q CB -0.183 28.231 28.738 -0.541 0.000 0.903 299 Q HN 0.496 nan 8.270 nan 0.000 0.433 300 N N -0.417 117.936 118.700 -0.577 0.000 2.420 300 N HA -0.040 4.700 4.740 0.000 0.000 0.185 300 N C -0.303 174.849 175.510 -0.596 0.000 1.033 300 N CA 0.490 53.249 53.050 -0.485 0.000 0.879 300 N CB 0.126 38.402 38.487 -0.351 0.000 1.071 300 N HN 0.347 nan 8.380 nan 0.000 0.437 301 H N -0.920 117.693 119.070 -0.762 0.000 3.099 301 H HA 0.087 4.644 4.556 0.000 0.000 0.322 301 H C 0.431 175.240 175.328 -0.865 0.000 1.339 301 H CA 0.270 55.594 56.048 -1.207 0.000 1.225 301 H CB -1.292 28.047 29.762 -0.705 0.000 1.417 301 H HN 0.615 nan 8.280 nan 0.000 0.444 302 G N 0.000 108.348 108.800 -0.753 0.000 5.446 302 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 302 G CA 0.000 45.012 45.100 -0.147 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925