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 2uxk_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 FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 0.000 177.610 177.584 0.043 0.000 1.274 1 A CA 0.000 52.054 52.037 0.028 0.000 0.836 1 A CB 0.000 19.015 19.000 0.026 0.000 0.831 2 E N -0.081 120.141 120.200 0.038 0.000 2.383 2 E HA 0.435 4.785 4.350 0.000 0.000 0.264 2 E C -0.750 175.906 176.600 0.092 0.000 1.050 2 E CA -0.025 56.407 56.400 0.053 0.000 0.896 2 E CB 0.367 30.079 29.700 0.021 0.000 0.982 2 E HN 0.733 nan 8.360 nan 0.000 0.424 3 Y N 3.132 123.422 120.300 -0.016 0.000 2.346 3 Y HA 0.131 4.681 4.550 0.000 0.000 0.330 3 Y C 0.375 176.259 175.900 -0.025 0.000 1.178 3 Y CA 0.038 58.131 58.100 -0.011 0.000 1.331 3 Y CB 1.121 39.576 38.460 -0.008 0.000 1.253 3 Y HN 0.535 nan 8.280 nan 0.000 0.529 4 Q N 3.255 122.682 119.800 -0.622 0.000 2.281 4 Q HA 0.042 4.382 4.340 0.000 0.000 0.215 4 Q C 0.354 175.927 176.000 -0.712 0.000 0.867 4 Q CA 0.395 55.886 55.803 -0.520 0.000 0.940 4 Q CB -0.089 28.480 28.738 -0.282 0.000 1.111 4 Q HN 0.885 nan 8.270 nan 0.000 0.513 5 N N 0.185 118.054 118.700 -1.385 0.000 2.741 5 N HA -0.167 4.573 4.740 0.000 0.000 0.250 5 N C 0.392 175.671 175.510 -0.386 0.000 1.115 5 N CA 0.440 53.015 53.050 -0.792 0.000 0.724 5 N CB -0.778 37.465 38.487 -0.407 0.000 1.090 5 N HN 0.181 nan 8.380 nan 0.000 0.558 6 I N -1.528 118.814 120.570 -0.380 0.000 2.400 6 I HA 0.040 4.210 4.170 0.000 0.000 0.248 6 I C 0.763 176.651 176.117 -0.381 0.000 1.109 6 I CA 1.107 62.165 61.300 -0.404 0.000 1.425 6 I CB -0.661 37.052 38.000 -0.479 0.000 1.094 6 I HN -0.012 nan 8.210 nan 0.000 0.425 7 F N 0.659 120.667 119.950 0.097 0.000 2.508 7 F HA 0.410 4.937 4.527 0.000 0.000 0.325 7 F C 0.862 176.872 175.800 0.350 0.000 1.090 7 F CA -1.130 57.016 58.000 0.243 0.000 0.945 7 F CB 1.201 40.331 39.000 0.217 0.000 1.156 7 F HN -0.282 nan 8.300 nan 0.000 0.463 8 S N 1.608 117.666 115.700 0.597 0.000 2.576 8 S HA 0.095 4.565 4.470 0.000 0.000 0.276 8 S C 0.929 175.830 174.600 0.500 0.000 1.339 8 S CA -0.499 57.987 58.200 0.478 0.000 1.039 8 S CB 1.057 64.442 63.200 0.308 0.000 0.902 8 S HN 0.696 nan 8.310 nan 0.000 0.516 9 Q N 0.319 120.263 119.800 0.241 0.000 2.204 9 Q HA 0.125 4.465 4.340 0.000 0.000 0.198 9 Q C -0.369 175.773 176.000 0.237 0.000 0.946 9 Q CA 0.666 56.565 55.803 0.159 0.000 0.859 9 Q CB 0.280 28.936 28.738 -0.136 0.000 0.946 9 Q HN 0.465 nan 8.270 nan 0.000 0.474 10 V N 1.384 121.379 119.914 0.136 0.000 2.623 10 V HA 0.234 4.354 4.120 0.000 0.000 0.304 10 V C -0.814 175.272 176.094 -0.013 0.000 1.054 10 V CA -0.863 61.475 62.300 0.064 0.000 0.882 10 V CB 1.796 33.622 31.823 0.006 0.000 1.002 10 V HN 0.106 nan 8.190 nan 0.000 0.424 11 Q N 2.540 122.268 119.800 -0.121 0.000 2.235 11 Q HA 0.742 5.082 4.340 0.000 0.000 0.250 11 Q C -0.557 175.375 176.000 -0.114 0.000 0.909 11 Q CA -0.614 55.081 55.803 -0.179 0.000 0.910 11 Q CB 2.578 31.093 28.738 -0.373 0.000 1.223 11 Q HN 0.791 nan 8.270 nan 0.000 0.432 12 V N -0.545 119.319 119.914 -0.084 0.000 2.914 12 V HA 0.781 4.901 4.120 0.000 0.000 0.314 12 V C -0.802 175.253 176.094 -0.065 0.000 1.084 12 V CA -1.056 61.203 62.300 -0.069 0.000 0.963 12 V CB 2.162 33.957 31.823 -0.046 0.000 1.025 12 V HN 0.814 nan 8.190 nan 0.000 0.432 13 R N 1.065 121.516 120.500 -0.083 0.000 2.725 13 R HA 0.786 5.126 4.340 0.000 0.000 0.277 13 R C -0.246 175.989 176.300 -0.109 0.000 0.987 13 R CA 0.121 56.159 56.100 -0.103 0.000 0.901 13 R CB 2.309 32.486 30.300 -0.205 0.000 1.207 13 R HN 1.230 nan 8.270 nan 0.000 0.463 14 G N 2.115 110.863 108.800 -0.086 0.000 3.222 14 G HA2 0.552 4.512 3.960 0.000 0.000 0.263 14 G HA3 0.552 4.512 3.960 0.000 0.000 0.263 14 G C -2.577 172.276 174.900 -0.078 0.000 1.312 14 G CA -1.027 44.029 45.100 -0.072 0.000 0.934 14 G HN 0.438 nan 8.290 nan 0.000 0.577 15 P HA 0.374 nan 4.420 nan 0.000 0.266 15 P C 0.140 177.490 177.300 0.082 0.000 1.193 15 P CA 0.015 63.112 63.100 -0.005 0.000 0.770 15 P CB 0.493 32.196 31.700 0.005 0.000 0.836 16 A N 2.227 125.142 122.820 0.157 0.000 2.565 16 A HA 0.021 4.342 4.320 0.000 0.000 0.237 16 A C 0.458 178.125 177.584 0.138 0.000 1.053 16 A CA 0.160 52.370 52.037 0.289 0.000 0.755 16 A CB -0.322 18.845 19.000 0.279 0.000 0.980 16 A HN 0.522 nan 8.150 nan 0.000 0.506 17 D N 2.449 122.917 120.400 0.113 0.000 2.339 17 D HA 0.283 4.923 4.640 0.000 0.000 0.241 17 D C 0.734 177.047 176.300 0.022 0.000 1.183 17 D CA -0.025 54.005 54.000 0.049 0.000 0.859 17 D CB 0.618 41.438 40.800 0.034 0.000 1.067 17 D HN 0.465 nan 8.370 nan 0.000 0.484 18 L N 2.883 124.117 121.223 0.018 0.000 2.567 18 L HA 0.258 4.598 4.340 0.000 0.000 0.225 18 L C 1.420 178.290 176.870 0.001 0.000 1.119 18 L CA 0.161 55.006 54.840 0.009 0.000 0.871 18 L CB -0.541 41.526 42.059 0.013 0.000 1.036 18 L HN 0.606 nan 8.230 nan 0.000 0.459 19 G N 0.251 109.049 108.800 -0.003 0.000 2.756 19 G HA2 -0.183 3.778 3.960 0.000 0.000 0.678 19 G HA3 -0.183 3.778 3.960 0.000 0.000 0.678 19 G C -0.357 174.534 174.900 -0.015 0.000 1.349 19 G CA -0.924 44.168 45.100 -0.013 0.000 0.847 19 G HN -0.139 nan 8.290 nan 0.000 0.548 20 M N 0.110 119.695 119.600 -0.025 0.000 2.245 20 M HA 0.314 4.794 4.480 0.000 0.000 0.330 20 M C 1.690 177.973 176.300 -0.028 0.000 1.098 20 M CA 0.585 55.868 55.300 -0.029 0.000 1.172 20 M CB 0.203 32.779 32.600 -0.040 0.000 1.467 20 M HN 0.698 nan 8.290 nan 0.000 0.454 21 T N -0.167 114.372 114.554 -0.025 0.000 3.053 21 T HA 0.042 4.392 4.350 0.000 0.000 0.236 21 T C 0.590 175.271 174.700 -0.032 0.000 0.996 21 T CA 0.110 62.198 62.100 -0.021 0.000 1.185 21 T CB 0.246 69.106 68.868 -0.012 0.000 0.892 21 T HN 0.609 nan 8.240 nan 0.000 0.432 22 E N 1.381 121.560 120.200 -0.035 0.000 3.521 22 E HA -0.227 4.123 4.350 0.000 0.000 0.371 22 E C 0.078 176.655 176.600 -0.039 0.000 1.564 22 E CA 1.561 57.936 56.400 -0.042 0.000 1.834 22 E CB -1.172 28.492 29.700 -0.060 0.000 1.742 22 E HN 0.395 nan 8.360 nan 0.000 0.445 23 D N 1.079 121.448 120.400 -0.052 0.000 2.336 23 D HA 0.152 4.792 4.640 0.000 0.000 0.228 23 D C -0.081 176.190 176.300 -0.048 0.000 1.120 23 D CA 0.119 54.092 54.000 -0.046 0.000 0.839 23 D CB 0.098 40.866 40.800 -0.052 0.000 0.932 23 D HN -0.039 nan 8.370 nan 0.000 0.509 24 V N 1.969 121.853 119.914 -0.049 0.000 2.572 24 V HA -0.036 4.084 4.120 0.000 0.000 0.291 24 V C 0.899 177.022 176.094 0.048 0.000 1.039 24 V CA -0.601 61.680 62.300 -0.032 0.000 1.055 24 V CB 0.951 32.752 31.823 -0.037 0.000 0.969 24 V HN 0.073 nan 8.190 nan 0.000 0.482 25 N N 4.625 123.401 118.700 0.127 0.000 2.406 25 N HA 0.111 4.851 4.740 0.000 0.000 0.269 25 N C 0.849 176.443 175.510 0.141 0.000 1.210 25 N CA 0.178 53.307 53.050 0.132 0.000 0.966 25 N CB 0.413 38.987 38.487 0.145 0.000 1.293 25 N HN 0.682 nan 8.380 nan 0.000 0.491 26 L N 2.175 123.439 121.223 0.068 0.000 2.265 26 L HA -0.159 4.181 4.340 0.000 0.000 0.215 26 L C 2.020 178.889 176.870 -0.002 0.000 1.117 26 L CA 1.050 55.914 54.840 0.040 0.000 0.782 26 L CB -0.356 41.714 42.059 0.020 0.000 0.914 26 L HN 0.556 nan 8.230 nan 0.000 0.441 27 A N -0.205 122.604 122.820 -0.018 0.000 2.015 27 A HA -0.140 4.180 4.320 0.000 0.000 0.219 27 A C 1.825 179.340 177.584 -0.115 0.000 1.163 27 A CA 1.255 53.261 52.037 -0.051 0.000 0.646 27 A CB -0.317 18.659 19.000 -0.039 0.000 0.806 27 A HN 0.392 nan 8.150 nan 0.000 0.448 28 N N -0.515 118.069 118.700 -0.193 0.000 2.398 28 N HA 0.037 4.777 4.740 0.000 0.000 0.188 28 N C 0.491 175.690 175.510 -0.518 0.000 1.122 28 N CA 0.219 53.000 53.050 -0.449 0.000 0.866 28 N CB -0.053 37.953 38.487 -0.802 0.000 0.970 28 N HN 0.435 nan 8.380 nan 0.000 0.462 29 R N 0.845 121.204 120.500 -0.236 0.000 2.349 29 R HA 0.197 4.537 4.340 0.000 0.000 0.299 29 R C 0.626 176.876 176.300 -0.083 0.000 1.027 29 R CA -0.209 55.827 56.100 -0.108 0.000 0.958 29 R CB 0.862 31.171 30.300 0.016 0.000 1.047 29 R HN 0.107 nan 8.270 nan 0.000 0.468 30 S N 1.758 117.421 115.700 -0.061 0.000 2.640 30 S HA 0.407 4.877 4.470 0.000 0.000 0.262 30 S C 0.586 175.171 174.600 -0.025 0.000 1.232 30 S CA -0.522 57.652 58.200 -0.044 0.000 0.988 30 S CB 1.117 64.296 63.200 -0.035 0.000 1.034 30 S HN 0.655 nan 8.310 nan 0.000 0.569 31 G N -0.610 108.179 108.800 -0.018 0.000 2.547 31 G HA2 0.504 4.464 3.960 0.000 0.000 0.291 31 G HA3 0.504 4.464 3.960 0.000 0.000 0.291 31 G C -0.075 174.820 174.900 -0.009 0.000 1.211 31 G CA -0.518 44.578 45.100 -0.007 0.000 0.950 31 G HN 1.247 nan 8.290 nan 0.000 0.504 32 V N -0.440 119.474 119.914 0.000 0.000 2.811 32 V HA 0.575 4.695 4.120 0.000 0.000 0.302 32 V C 1.250 177.331 176.094 -0.023 0.000 1.063 32 V CA -0.291 61.996 62.300 -0.021 0.000 1.088 32 V CB 0.359 32.185 31.823 0.004 0.000 0.982 32 V HN 0.909 nan 8.190 nan 0.000 0.485 33 G N 3.308 112.067 108.800 -0.067 0.000 2.553 33 G HA2 0.542 4.502 3.960 0.000 0.000 0.278 33 G HA3 0.542 4.502 3.960 0.000 0.000 0.278 33 G C -2.218 172.649 174.900 -0.055 0.000 1.349 33 G CA -0.963 44.103 45.100 -0.056 0.000 1.037 33 G HN 0.769 nan 8.290 nan 0.000 0.508 34 P HA 0.326 nan 4.420 nan 0.000 0.275 34 P C -1.197 176.086 177.300 -0.029 0.000 1.266 34 P CA -0.363 62.771 63.100 0.056 0.000 0.793 34 P CB 0.687 32.420 31.700 0.054 0.000 1.074 35 F N -0.560 119.381 119.950 -0.014 0.000 2.436 35 F HA 0.313 4.840 4.527 0.000 0.000 0.340 35 F C 1.098 176.883 175.800 -0.025 0.000 1.113 35 F CA -0.172 57.815 58.000 -0.023 0.000 1.022 35 F CB 1.487 40.466 39.000 -0.034 0.000 1.128 35 F HN 0.081 nan 8.300 nan 0.000 0.466 36 S N 2.286 118.041 115.700 0.091 0.000 2.461 36 S HA 0.193 4.663 4.470 0.000 0.000 0.322 36 S C 0.965 175.582 174.600 0.028 0.000 1.063 36 S CA -0.492 57.743 58.200 0.057 0.000 1.120 36 S CB 0.642 63.861 63.200 0.032 0.000 0.968 36 S HN 0.757 nan 8.310 nan 0.000 0.467 37 T N 5.382 119.937 114.554 0.001 0.000 2.759 37 T HA -0.136 4.214 4.350 0.000 0.000 0.269 37 T C 1.733 176.333 174.700 -0.167 0.000 1.042 37 T CA 1.642 63.664 62.100 -0.128 0.000 1.140 37 T CB -0.323 68.492 68.868 -0.088 0.000 0.864 37 T HN 0.582 nan 8.240 nan 0.000 0.455 38 L N 0.714 121.964 121.223 0.044 0.000 1.994 38 L HA -0.009 4.331 4.340 0.000 0.000 0.208 38 L C 2.080 179.073 176.870 0.205 0.000 1.071 38 L CA 1.573 56.536 54.840 0.205 0.000 0.745 38 L CB -0.751 41.405 42.059 0.163 0.000 0.892 38 L HN 0.119 nan 8.230 nan 0.000 0.431 39 L N 0.228 121.522 121.223 0.118 0.000 2.127 39 L HA -0.088 4.252 4.340 0.000 0.000 0.211 39 L C 2.462 179.424 176.870 0.153 0.000 1.089 39 L CA 1.900 56.827 54.840 0.145 0.000 0.757 39 L CB -1.709 40.402 42.059 0.086 0.000 0.899 39 L HN 0.430 nan 8.230 nan 0.000 0.434 40 G N -2.348 106.453 108.800 0.002 0.000 2.509 40 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 40 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 40 G C 1.305 176.159 174.900 -0.077 0.000 1.124 40 G CA 0.265 45.311 45.100 -0.089 0.000 0.776 40 G HN 0.483 nan 8.290 nan 0.000 0.547 41 W N -1.294 120.107 121.300 0.169 0.000 2.519 41 W HA 0.239 4.899 4.660 0.000 0.000 0.266 41 W C 1.861 178.633 176.519 0.421 0.000 1.253 41 W CA -0.155 57.319 57.345 0.215 0.000 1.274 41 W CB -0.054 29.454 29.460 0.080 0.000 1.114 41 W HN 0.192 nan 8.180 nan 0.000 0.596 42 F N -1.296 118.904 119.950 0.417 0.000 2.549 42 F HA 0.451 4.978 4.527 0.000 0.000 0.275 42 F C 1.406 177.305 175.800 0.165 0.000 0.990 42 F CA 1.113 59.318 58.000 0.341 0.000 1.274 42 F CB -0.227 38.980 39.000 0.345 0.000 1.064 42 F HN -0.262 nan 8.300 nan 0.000 0.715 43 G N -0.366 108.581 108.800 0.244 0.000 3.166 43 G HA2 0.211 4.171 3.960 0.000 0.000 0.267 43 G HA3 0.211 4.171 3.960 0.000 0.000 0.267 43 G C -1.304 173.639 174.900 0.072 0.000 1.256 43 G CA -0.841 44.312 45.100 0.087 0.000 0.859 43 G HN -0.061 nan 8.290 nan 0.000 0.590 44 N N 0.487 119.212 118.700 0.041 0.000 2.458 44 N HA 0.290 5.030 4.740 0.000 0.000 0.258 44 N C 1.179 176.696 175.510 0.011 0.000 1.219 44 N CA 0.511 53.571 53.050 0.018 0.000 0.902 44 N CB 1.662 40.145 38.487 -0.006 0.000 1.076 44 N HN 0.564 nan 8.380 nan 0.000 0.455 45 A N 2.391 125.220 122.820 0.015 0.000 2.016 45 A HA -0.099 4.221 4.320 0.000 0.000 0.217 45 A C 1.006 178.511 177.584 -0.132 0.000 1.162 45 A CA 0.601 52.650 52.037 0.020 0.000 0.662 45 A CB -0.211 18.868 19.000 0.131 0.000 0.812 45 A HN 0.770 nan 8.150 nan 0.000 0.450 46 Q N 0.206 119.834 119.800 -0.287 0.000 2.314 46 Q HA 0.396 4.736 4.340 0.000 0.000 0.258 46 Q C -1.498 174.255 176.000 -0.412 0.000 0.954 46 Q CA -0.325 55.040 55.803 -0.730 0.000 0.890 46 Q CB 0.416 28.765 28.738 -0.648 0.000 1.210 46 Q HN 0.254 nan 8.270 nan 0.000 0.410 47 L N 3.758 124.723 121.223 -0.430 0.000 2.317 47 L HA 0.631 4.971 4.340 0.000 0.000 0.281 47 L C 0.511 177.263 176.870 -0.197 0.000 1.024 47 L CA 1.148 55.854 54.840 -0.224 0.000 0.810 47 L CB 1.319 43.285 42.059 -0.154 0.000 1.240 47 L HN 0.945 nan 8.230 nan 0.000 0.427 48 G N 3.791 112.520 108.800 -0.118 0.000 2.806 48 G HA2 -0.149 3.811 3.960 0.000 0.000 0.236 48 G HA3 -0.149 3.811 3.960 0.000 0.000 0.236 48 G C -2.747 172.099 174.900 -0.090 0.000 1.387 48 G CA -0.619 44.432 45.100 -0.083 0.000 0.884 48 G HN 0.529 nan 8.290 nan 0.000 0.560 49 P HA 0.598 nan 4.420 nan 0.000 0.277 49 P C -0.138 177.156 177.300 -0.011 0.000 1.271 49 P CA -0.492 62.591 63.100 -0.029 0.000 0.795 49 P CB 1.057 32.748 31.700 -0.014 0.000 1.101 50 I N -0.422 120.149 120.570 0.002 0.000 2.740 50 I HA 0.366 4.536 4.170 0.000 0.000 0.303 50 I C -0.999 175.147 176.117 0.047 0.000 1.044 50 I CA -1.444 59.874 61.300 0.029 0.000 1.064 50 I CB 1.799 39.817 38.000 0.030 0.000 1.249 50 I HN 0.204 nan 8.210 nan 0.000 0.433 51 Y N 6.887 127.153 120.300 -0.056 0.000 2.316 51 Y HA 0.277 4.827 4.550 0.000 0.000 0.331 51 Y C -0.383 175.481 175.900 -0.060 0.000 1.083 51 Y CA -0.226 57.834 58.100 -0.067 0.000 1.206 51 Y CB 0.814 39.215 38.460 -0.099 0.000 1.195 51 Y HN 0.455 nan 8.280 nan 0.000 0.497 52 L N 4.046 124.999 121.223 -0.450 0.000 2.597 52 L HA 0.545 4.885 4.340 0.000 0.000 0.188 52 L C 1.206 177.898 176.870 -0.296 0.000 1.333 52 L CA 1.065 55.745 54.840 -0.267 0.000 1.543 52 L CB -1.651 40.277 42.059 -0.217 0.000 1.504 52 L HN 0.913 nan 8.230 nan 0.000 0.813 53 G N -0.812 107.773 108.800 -0.358 0.000 2.829 53 G HA2 -0.226 3.734 3.960 0.000 0.000 0.628 53 G HA3 -0.226 3.734 3.960 0.000 0.000 0.628 53 G C 0.637 175.518 174.900 -0.031 0.000 1.412 53 G CA 0.040 45.044 45.100 -0.161 0.000 0.864 53 G HN 0.280 nan 8.290 nan 0.000 0.544 54 S N -0.547 115.159 115.700 0.010 0.000 2.355 54 S HA 0.004 4.474 4.470 0.000 0.000 0.222 54 S C 2.527 177.152 174.600 0.042 0.000 1.031 54 S CA 1.389 59.599 58.200 0.018 0.000 0.993 54 S CB -0.268 62.943 63.200 0.019 0.000 0.859 54 S HN 0.521 nan 8.310 nan 0.000 0.453 55 L N 1.005 122.258 121.223 0.049 0.000 2.012 55 L HA -0.125 4.215 4.340 0.000 0.000 0.210 55 L C 2.579 179.490 176.870 0.068 0.000 1.073 55 L CA 1.616 56.487 54.840 0.052 0.000 0.748 55 L CB -1.155 40.915 42.059 0.018 0.000 0.891 55 L HN 0.458 nan 8.230 nan 0.000 0.431 56 G N -1.024 107.807 108.800 0.052 0.000 2.418 56 G HA2 -0.204 3.756 3.960 0.000 0.000 0.217 56 G HA3 -0.204 3.756 3.960 0.000 0.000 0.217 56 G C 1.588 176.565 174.900 0.128 0.000 1.158 56 G CA 0.831 45.977 45.100 0.077 0.000 0.771 56 G HN 0.252 nan 8.290 nan 0.000 0.545 57 V N 0.841 120.807 119.914 0.086 0.000 2.287 57 V HA -0.170 3.950 4.120 0.000 0.000 0.248 57 V C 2.698 178.885 176.094 0.155 0.000 1.053 57 V CA 1.769 64.126 62.300 0.095 0.000 1.027 57 V CB -0.534 31.311 31.823 0.038 0.000 0.646 57 V HN 0.378 nan 8.190 nan 0.000 0.447 58 L N -0.017 121.291 121.223 0.142 0.000 2.012 58 L HA -0.157 4.183 4.340 0.000 0.000 0.210 58 L C 2.589 179.601 176.870 0.238 0.000 1.073 58 L CA 2.510 57.466 54.840 0.193 0.000 0.748 58 L CB -0.910 41.239 42.059 0.150 0.000 0.891 58 L HN 0.297 nan 8.230 nan 0.000 0.431 59 S N -1.001 114.827 115.700 0.213 0.000 2.353 59 S HA -0.198 4.272 4.470 0.000 0.000 0.222 59 S C 1.972 176.684 174.600 0.187 0.000 1.035 59 S CA 1.729 60.071 58.200 0.237 0.000 1.025 59 S CB -0.578 62.851 63.200 0.382 0.000 0.902 59 S HN 0.477 nan 8.310 nan 0.000 0.440 60 L N 0.639 121.983 121.223 0.201 0.000 2.017 60 L HA 0.041 4.381 4.340 0.000 0.000 0.208 60 L C 1.974 178.905 176.870 0.102 0.000 1.073 60 L CA 1.981 56.895 54.840 0.123 0.000 0.745 60 L CB -0.954 41.187 42.059 0.136 0.000 0.894 60 L HN 0.441 nan 8.230 nan 0.000 0.432 61 F N -0.335 119.635 119.950 0.032 0.000 2.069 61 F HA -0.245 4.282 4.527 0.000 0.000 0.298 61 F C 2.642 178.424 175.800 -0.031 0.000 1.113 61 F CA 1.968 59.977 58.000 0.014 0.000 1.214 61 F CB -0.816 38.206 39.000 0.038 0.000 0.978 61 F HN 0.131 nan 8.300 nan 0.000 0.474 62 S N 0.042 115.744 115.700 0.003 0.000 2.353 62 S HA -0.170 4.301 4.470 0.000 0.000 0.222 62 S C 2.311 176.835 174.600 -0.127 0.000 1.035 62 S CA 1.486 59.651 58.200 -0.059 0.000 1.025 62 S CB -1.285 62.002 63.200 0.145 0.000 0.902 62 S HN 0.645 nan 8.310 nan 0.000 0.440 63 G N 1.297 110.051 108.800 -0.076 0.000 2.446 63 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 63 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 63 G C 1.377 176.227 174.900 -0.082 0.000 1.168 63 G CA 0.923 45.986 45.100 -0.062 0.000 0.771 63 G HN 0.479 nan 8.290 nan 0.000 0.551 64 L N -0.156 120.919 121.223 -0.246 0.000 2.083 64 L HA -0.070 4.270 4.340 0.000 0.000 0.209 64 L C 3.098 179.677 176.870 -0.485 0.000 1.083 64 L CA 0.691 55.264 54.840 -0.444 0.000 0.752 64 L CB -0.299 41.582 42.059 -0.297 0.000 0.899 64 L HN 0.149 nan 8.230 nan 0.000 0.433 65 M N -1.343 117.941 119.600 -0.527 0.000 2.117 65 M HA -0.243 4.237 4.480 0.000 0.000 0.262 65 M C 2.110 178.171 176.300 -0.399 0.000 1.065 65 M CA 1.715 56.590 55.300 -0.709 0.000 1.114 65 M CB -1.205 30.392 32.600 -1.671 0.000 1.361 65 M HN 0.452 nan 8.290 nan 0.000 0.408 66 W N 0.639 121.718 121.300 -0.368 0.000 2.333 66 W HA -0.279 4.381 4.660 0.000 0.000 0.316 66 W C 2.239 178.627 176.519 -0.219 0.000 1.215 66 W CA 1.592 58.831 57.345 -0.176 0.000 1.278 66 W CB -1.000 28.365 29.460 -0.157 0.000 1.154 66 W HN 0.172 nan 8.180 nan 0.000 0.486 67 F N 0.011 119.636 119.950 -0.541 0.000 2.095 67 F HA -0.164 4.363 4.527 0.000 0.000 0.298 67 F C 2.162 177.635 175.800 -0.545 0.000 1.104 67 F CA 2.202 59.727 58.000 -0.791 0.000 1.232 67 F CB -0.994 37.597 39.000 -0.682 0.000 0.987 67 F HN -0.108 nan 8.300 nan 0.000 0.475 68 F N -0.840 118.981 119.950 -0.215 0.000 2.259 68 F HA -0.157 4.370 4.527 0.000 0.000 0.298 68 F C 2.359 178.038 175.800 -0.202 0.000 1.088 68 F CA 1.013 58.888 58.000 -0.209 0.000 1.358 68 F CB -0.832 38.108 39.000 -0.100 0.000 1.040 68 F HN -0.163 nan 8.300 nan 0.000 0.505 69 T N 1.026 115.553 114.554 -0.045 0.000 2.708 69 T HA -0.175 4.175 4.350 0.000 0.000 0.266 69 T C 1.943 176.584 174.700 -0.099 0.000 1.037 69 T CA 1.426 63.516 62.100 -0.017 0.000 1.146 69 T CB -0.395 68.491 68.868 0.031 0.000 0.865 69 T HN 0.153 nan 8.240 nan 0.000 0.435 70 I N 1.140 121.484 120.570 -0.377 0.000 2.142 70 I HA -0.108 4.062 4.170 0.000 0.000 0.240 70 I C 2.932 178.713 176.117 -0.560 0.000 1.078 70 I CA 1.418 62.406 61.300 -0.520 0.000 1.343 70 I CB -0.819 36.628 38.000 -0.921 0.000 1.046 70 I HN 0.307 nan 8.210 nan 0.000 0.405 71 G N 1.411 109.880 108.800 -0.551 0.000 2.440 71 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 71 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 71 G C 1.562 176.560 174.900 0.163 0.000 1.154 71 G CA 0.626 45.564 45.100 -0.270 0.000 0.767 71 G HN 0.199 nan 8.290 nan 0.000 0.552 72 I N -0.028 120.665 120.570 0.204 0.000 2.286 72 I HA -0.106 4.064 4.170 0.000 0.000 0.248 72 I C 2.331 178.630 176.117 0.304 0.000 1.115 72 I CA 0.230 61.718 61.300 0.314 0.000 1.392 72 I CB -1.245 36.910 38.000 0.259 0.000 1.065 72 I HN 0.488 nan 8.210 nan 0.000 0.418 73 W N 1.146 122.505 121.300 0.099 0.000 2.388 73 W HA -0.262 4.398 4.660 0.000 0.000 0.294 73 W C 2.248 178.898 176.519 0.218 0.000 1.212 73 W CA 0.966 58.411 57.345 0.167 0.000 1.271 73 W CB -0.289 29.281 29.460 0.183 0.000 1.126 73 W HN 0.010 nan 8.180 nan 0.000 0.535 74 F N -0.341 119.520 119.950 -0.148 0.000 2.102 74 F HA -0.133 4.394 4.527 0.000 0.000 0.298 74 F C 2.115 177.396 175.800 -0.866 0.000 1.105 74 F CA 1.062 58.669 58.000 -0.655 0.000 1.239 74 F CB -1.719 37.017 39.000 -0.441 0.000 0.991 74 F HN -0.092 nan 8.300 nan 0.000 0.474 75 W N -1.030 120.116 121.300 -0.257 0.000 2.335 75 W HA -0.272 4.388 4.660 0.000 0.000 0.311 75 W C 2.681 178.477 176.519 -1.205 0.000 1.213 75 W CA 1.836 58.841 57.345 -0.567 0.000 1.274 75 W CB -1.176 28.017 29.460 -0.446 0.000 1.148 75 W HN 0.100 nan 8.180 nan 0.000 0.498 76 Y N 1.286 120.909 120.300 -1.129 0.000 2.081 76 Y HA -0.366 4.184 4.550 0.000 0.000 0.280 76 Y C 2.355 177.726 175.900 -0.882 0.000 1.163 76 Y CA 2.400 59.796 58.100 -1.173 0.000 1.135 76 Y CB -0.879 37.205 38.460 -0.628 0.000 0.970 76 Y HN 0.028 nan 8.280 nan 0.000 0.498 77 Q N -0.319 118.886 119.800 -0.993 0.000 2.226 77 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 77 Q C 2.171 177.820 176.000 -0.585 0.000 0.975 77 Q CA 1.099 56.392 55.803 -0.850 0.000 0.866 77 Q CB -0.290 28.048 28.738 -0.666 0.000 0.915 77 Q HN 0.637 nan 8.270 nan 0.000 0.440 78 A N 0.122 122.531 122.820 -0.685 0.000 2.238 78 A HA 0.243 4.563 4.320 0.000 0.000 0.208 78 A C 1.412 178.849 177.584 -0.246 0.000 1.177 78 A CA 0.658 52.510 52.037 -0.308 0.000 0.804 78 A CB -0.402 18.435 19.000 -0.272 0.000 0.823 78 A HN 0.429 nan 8.150 nan 0.000 0.482 79 G N -2.036 106.488 108.800 -0.460 0.000 2.283 79 G HA2 -0.313 3.647 3.960 0.000 0.000 0.280 79 G HA3 -0.313 3.647 3.960 0.000 0.000 0.280 79 G C 0.322 175.204 174.900 -0.029 0.000 1.029 79 G CA 0.350 45.272 45.100 -0.297 0.000 0.840 79 G HN 1.152 nan 8.290 nan 0.000 0.505 80 W N -2.534 118.838 121.300 0.120 0.000 3.207 80 W HA -0.211 4.449 4.660 0.000 0.000 0.291 80 W C 0.694 177.364 176.519 0.251 0.000 1.105 80 W CA 0.270 57.751 57.345 0.227 0.000 0.612 80 W CB -1.972 27.523 29.460 0.057 0.000 2.140 80 W HN 0.593 nan 8.180 nan 0.000 1.420 81 N N 1.229 120.126 118.700 0.328 0.000 2.408 81 N HA 0.161 4.901 4.740 0.000 0.000 0.257 81 N C -1.143 174.569 175.510 0.336 0.000 1.064 81 N CA -1.549 51.663 53.050 0.270 0.000 0.952 81 N CB 1.420 39.995 38.487 0.146 0.000 1.093 81 N HN -0.197 nan 8.380 nan 0.000 0.490 82 P HA -0.037 nan 4.420 nan 0.000 0.218 82 P C 0.797 178.242 177.300 0.242 0.000 1.149 82 P CA 0.993 64.337 63.100 0.406 0.000 0.817 82 P CB 0.288 32.209 31.700 0.368 0.000 0.785 83 A N -0.541 122.379 122.820 0.166 0.000 1.898 83 A HA -0.132 4.188 4.320 0.000 0.000 0.216 83 A C 2.299 179.924 177.584 0.067 0.000 1.181 83 A CA 1.642 53.738 52.037 0.099 0.000 0.620 83 A CB -1.655 17.384 19.000 0.066 0.000 0.819 83 A HN 0.040 nan 8.150 nan 0.000 0.442 84 V N -1.284 118.679 119.914 0.082 0.000 2.515 84 V HA -0.193 3.927 4.120 0.000 0.000 0.250 84 V C 2.208 178.372 176.094 0.116 0.000 1.058 84 V CA 1.831 64.164 62.300 0.056 0.000 1.064 84 V CB -0.904 30.954 31.823 0.059 0.000 0.675 84 V HN 0.624 nan 8.190 nan 0.000 0.461 85 F N 0.428 120.340 119.950 -0.064 0.000 2.095 85 F HA -0.191 4.337 4.527 0.000 0.000 0.298 85 F C 2.023 177.785 175.800 -0.062 0.000 1.104 85 F CA 1.792 59.682 58.000 -0.182 0.000 1.232 85 F CB -0.165 38.349 39.000 -0.810 0.000 0.987 85 F HN 0.028 nan 8.300 nan 0.000 0.475 86 L N -0.278 120.937 121.223 -0.012 0.000 2.072 86 L HA -0.151 4.189 4.340 0.000 0.000 0.205 86 L C 2.722 179.464 176.870 -0.213 0.000 1.079 86 L CA 1.313 56.083 54.840 -0.117 0.000 0.752 86 L CB -0.653 41.411 42.059 0.009 0.000 0.906 86 L HN 0.086 nan 8.230 nan 0.000 0.436 87 R N 0.281 120.686 120.500 -0.159 0.000 2.073 87 R HA -0.173 4.167 4.340 0.000 0.000 0.234 87 R C 0.772 176.891 176.300 -0.302 0.000 1.134 87 R CA 1.936 57.917 56.100 -0.197 0.000 0.952 87 R CB 0.017 30.223 30.300 -0.158 0.000 0.850 87 R HN 0.273 nan 8.270 nan 0.000 0.433 88 D N 0.232 120.367 120.400 -0.442 0.000 2.368 88 D HA -0.002 4.638 4.640 0.000 0.000 0.218 88 D C 1.251 176.902 176.300 -1.081 0.000 1.112 88 D CA -0.123 53.429 54.000 -0.747 0.000 0.834 88 D CB 0.429 40.597 40.800 -1.053 0.000 0.953 88 D HN 0.104 nan 8.370 nan 0.000 0.505 89 L N 0.248 121.054 121.223 -0.695 0.000 1.997 89 L HA -0.223 4.117 4.340 0.000 0.000 0.216 89 L C 1.471 178.125 176.870 -0.361 0.000 1.074 89 L CA 1.842 56.365 54.840 -0.529 0.000 0.763 89 L CB -0.507 41.222 42.059 -0.549 0.000 0.890 89 L HN -0.019 nan 8.230 nan 0.000 0.434 90 F N -1.546 118.051 119.950 -0.589 0.000 2.661 90 F HA 0.009 4.536 4.527 0.000 0.000 0.298 90 F C 1.937 177.101 175.800 -1.058 0.000 1.137 90 F CA 0.194 57.618 58.000 -0.960 0.000 1.454 90 F CB -1.189 36.825 39.000 -1.645 0.000 1.103 90 F HN 0.074 nan 8.300 nan 0.000 0.577 91 F N -1.878 117.727 119.950 -0.575 0.000 2.698 91 F HA 0.113 4.640 4.527 0.000 0.000 0.295 91 F C 0.817 176.365 175.800 -0.419 0.000 1.124 91 F CA -0.413 57.363 58.000 -0.373 0.000 1.426 91 F CB -0.514 38.260 39.000 -0.377 0.000 1.120 91 F HN -0.333 nan 8.300 nan 0.000 0.583 92 F N 0.524 120.248 119.950 -0.377 0.000 2.496 92 F HA 0.350 4.877 4.527 0.000 0.000 0.344 92 F C 0.700 176.206 175.800 -0.489 0.000 1.155 92 F CA -0.614 56.952 58.000 -0.724 0.000 1.302 92 F CB 0.446 38.390 39.000 -1.760 0.000 1.159 92 F HN -0.346 nan 8.300 nan 0.000 0.595 93 S N 2.272 118.085 115.700 0.189 0.000 2.592 93 S HA 0.466 4.937 4.470 0.000 0.000 0.275 93 S C -1.780 173.273 174.600 0.755 0.000 1.169 93 S CA -0.716 57.778 58.200 0.489 0.000 0.958 93 S CB 0.717 64.123 63.200 0.344 0.000 1.095 93 S HN 0.548 nan 8.310 nan 0.000 0.471 94 L N 5.150 126.820 121.223 0.746 0.000 2.268 94 L HA 0.581 4.921 4.340 0.000 0.000 0.289 94 L C -0.251 176.828 176.870 0.348 0.000 1.064 94 L CA 0.368 55.426 54.840 0.363 0.000 0.824 94 L CB 0.506 42.745 42.059 0.299 0.000 1.202 94 L HN 0.616 nan 8.230 nan 0.000 0.433 95 E N 6.933 127.226 120.200 0.154 0.000 2.242 95 E HA 0.449 4.799 4.350 0.000 0.000 0.275 95 E C -2.438 174.004 176.600 -0.264 0.000 1.002 95 E CA -1.918 54.485 56.400 0.005 0.000 0.841 95 E CB 0.957 30.698 29.700 0.069 0.000 1.109 95 E HN 0.448 nan 8.360 nan 0.000 0.394 96 P HA 0.138 nan 4.420 nan 0.000 0.271 96 P C -2.518 174.569 177.300 -0.355 0.000 1.244 96 P CA -1.247 61.211 63.100 -1.070 0.000 0.793 96 P CB -0.636 30.276 31.700 -1.314 0.000 0.984 97 P HA 0.032 nan 4.420 nan 0.000 0.267 97 P C -0.121 177.215 177.300 0.058 0.000 1.200 97 P CA 0.381 63.479 63.100 -0.002 0.000 0.772 97 P CB 0.022 31.789 31.700 0.112 0.000 0.855 98 A N 5.171 128.087 122.820 0.160 0.000 2.448 98 A HA 0.209 4.529 4.320 0.000 0.000 0.239 98 A C -1.197 176.472 177.584 0.142 0.000 1.080 98 A CA -0.647 51.481 52.037 0.151 0.000 0.779 98 A CB -1.080 18.032 19.000 0.186 0.000 1.026 98 A HN 0.433 nan 8.150 nan 0.000 0.499 99 P HA -0.134 nan 4.420 nan 0.000 0.219 99 P C 0.610 177.908 177.300 -0.003 0.000 1.146 99 P CA 1.460 64.573 63.100 0.021 0.000 0.808 99 P CB 0.084 31.779 31.700 -0.008 0.000 0.779 100 E N -1.492 118.686 120.200 -0.037 0.000 2.204 100 E HA -0.156 4.194 4.350 0.000 0.000 0.194 100 E C 1.451 177.933 176.600 -0.196 0.000 0.989 100 E CA 0.957 57.268 56.400 -0.148 0.000 0.824 100 E CB -1.088 28.467 29.700 -0.241 0.000 0.756 100 E HN 0.438 nan 8.360 nan 0.000 0.477 101 Y N 0.497 120.803 120.300 0.011 0.000 2.583 101 Y HA 0.052 4.602 4.550 0.000 0.000 0.293 101 Y C 1.809 177.713 175.900 0.008 0.000 1.157 101 Y CA 0.288 58.404 58.100 0.028 0.000 1.315 101 Y CB -0.208 38.293 38.460 0.067 0.000 1.021 101 Y HN 0.136 nan 8.280 nan 0.000 0.536 102 G N 0.874 109.718 108.800 0.073 0.000 2.634 102 G HA2 -0.372 3.588 3.960 0.000 0.000 0.309 102 G HA3 -0.372 3.588 3.960 0.000 0.000 0.309 102 G C 0.613 175.445 174.900 -0.113 0.000 1.265 102 G CA 0.660 45.731 45.100 -0.048 0.000 0.998 102 G HN 0.275 nan 8.290 nan 0.000 0.551 103 L N 1.433 122.505 121.223 -0.253 0.000 2.628 103 L HA 0.343 4.683 4.340 0.000 0.000 0.229 103 L C 1.768 178.600 176.870 -0.065 0.000 1.137 103 L CA 0.633 55.186 54.840 -0.479 0.000 0.909 103 L CB 0.171 41.855 42.059 -0.625 0.000 1.137 103 L HN 0.542 nan 8.230 nan 0.000 0.470 104 S N -0.321 115.394 115.700 0.025 0.000 2.562 104 S HA 0.092 4.562 4.470 0.000 0.000 0.281 104 S C 0.685 175.351 174.600 0.110 0.000 1.333 104 S CA -0.252 57.950 58.200 0.003 0.000 1.052 104 S CB 0.307 63.572 63.200 0.107 0.000 0.884 104 S HN 0.276 nan 8.310 nan 0.000 0.506 105 F N 2.394 122.444 119.950 0.167 0.000 2.773 105 F HA 0.251 4.778 4.527 0.000 0.000 0.304 105 F C 1.943 177.755 175.800 0.020 0.000 1.129 105 F CA -0.121 57.924 58.000 0.075 0.000 1.378 105 F CB 0.031 39.050 39.000 0.032 0.000 1.095 105 F HN 0.736 nan 8.300 nan 0.000 0.565 106 A N 0.472 123.400 122.820 0.179 0.000 2.345 106 A HA 0.541 4.861 4.320 0.000 0.000 0.225 106 A C 1.184 178.755 177.584 -0.021 0.000 1.243 106 A CA -0.031 52.066 52.037 0.101 0.000 0.875 106 A CB -0.618 18.459 19.000 0.128 0.000 0.929 106 A HN 0.130 nan 8.150 nan 0.000 0.502 107 A N 2.017 124.753 122.820 -0.139 0.000 2.546 107 A HA 0.463 4.783 4.320 0.000 0.000 0.243 107 A C -2.063 175.314 177.584 -0.345 0.000 1.063 107 A CA -0.771 50.916 52.037 -0.585 0.000 0.757 107 A CB -0.353 18.408 19.000 -0.398 0.000 0.991 107 A HN 0.332 nan 8.150 nan 0.000 0.503 108 P HA -0.032 nan 4.420 nan 0.000 0.269 108 P C 1.307 178.538 177.300 -0.116 0.000 1.209 108 P CA -0.425 62.585 63.100 -0.150 0.000 0.776 108 P CB 0.545 32.197 31.700 -0.080 0.000 0.876 109 L N 1.960 123.147 121.223 -0.061 0.000 2.034 109 L HA -0.222 4.118 4.340 0.000 0.000 0.217 109 L C 1.826 178.640 176.870 -0.094 0.000 1.077 109 L CA 2.159 56.965 54.840 -0.058 0.000 0.769 109 L CB -0.444 41.605 42.059 -0.017 0.000 0.890 109 L HN 0.491 nan 8.230 nan 0.000 0.435 110 K N -0.369 120.009 120.400 -0.036 0.000 2.404 110 K HA 0.041 4.361 4.320 0.000 0.000 0.194 110 K C 0.064 176.657 176.600 -0.011 0.000 1.023 110 K CA 0.242 56.532 56.287 0.005 0.000 1.094 110 K CB 0.262 32.886 32.500 0.205 0.000 0.841 110 K HN 0.430 nan 8.250 nan 0.000 0.523 111 E N 0.117 120.283 120.200 -0.056 0.000 3.896 111 E HA 0.183 4.533 4.350 0.000 0.000 0.217 111 E C 0.253 176.784 176.600 -0.114 0.000 1.150 111 E CA -0.302 56.072 56.400 -0.042 0.000 1.338 111 E CB 1.123 30.831 29.700 0.014 0.000 1.242 111 E HN 0.341 nan 8.360 nan 0.000 0.435 112 G N 0.248 108.980 108.800 -0.113 0.000 2.339 112 G HA2 -0.286 3.674 3.960 0.000 0.000 0.209 112 G HA3 -0.286 3.674 3.960 0.000 0.000 0.209 112 G C 1.126 176.039 174.900 0.022 0.000 1.015 112 G CA -0.133 44.942 45.100 -0.042 0.000 0.635 112 G HN 0.507 nan 8.290 nan 0.000 0.499 113 G N 0.758 109.520 108.800 -0.063 0.000 2.421 113 G HA2 0.072 4.032 3.960 0.000 0.000 0.216 113 G HA3 0.072 4.032 3.960 0.000 0.000 0.216 113 G C 1.770 176.642 174.900 -0.046 0.000 1.171 113 G CA 1.693 46.763 45.100 -0.050 0.000 0.775 113 G HN 0.905 nan 8.290 nan 0.000 0.543 114 L N -0.689 120.486 121.223 -0.081 0.000 2.083 114 L HA 0.089 4.429 4.340 0.000 0.000 0.209 114 L C 2.405 179.264 176.870 -0.019 0.000 1.083 114 L CA 1.456 56.246 54.840 -0.082 0.000 0.752 114 L CB -0.491 41.458 42.059 -0.185 0.000 0.899 114 L HN 0.492 nan 8.230 nan 0.000 0.433 115 W N -0.271 120.943 121.300 -0.144 0.000 2.355 115 W HA -0.230 4.430 4.660 0.000 0.000 0.309 115 W C 2.196 178.728 176.519 0.020 0.000 1.206 115 W CA 1.855 59.200 57.345 -0.001 0.000 1.284 115 W CB -0.173 29.263 29.460 -0.041 0.000 1.145 115 W HN 0.089 nan 8.180 nan 0.000 0.502 116 L N 0.192 121.495 121.223 0.132 0.000 2.042 116 L HA -0.274 4.066 4.340 0.000 0.000 0.210 116 L C 2.434 179.143 176.870 -0.268 0.000 1.076 116 L CA 1.615 56.361 54.840 -0.157 0.000 0.749 116 L CB -0.868 41.124 42.059 -0.112 0.000 0.893 116 L HN 0.059 nan 8.230 nan 0.000 0.432 117 I N -0.411 120.039 120.570 -0.200 0.000 2.142 117 I HA -0.293 3.877 4.170 0.000 0.000 0.240 117 I C 2.822 178.854 176.117 -0.141 0.000 1.078 117 I CA 1.183 62.340 61.300 -0.238 0.000 1.343 117 I CB -0.489 37.426 38.000 -0.141 0.000 1.046 117 I HN 0.207 nan 8.210 nan 0.000 0.405 118 A N 0.228 123.032 122.820 -0.025 0.000 1.892 118 A HA -0.249 4.071 4.320 0.000 0.000 0.218 118 A C 2.476 180.110 177.584 0.084 0.000 1.188 118 A CA 2.508 54.594 52.037 0.083 0.000 0.631 118 A CB -0.891 18.014 19.000 -0.159 0.000 0.822 118 A HN 0.421 nan 8.150 nan 0.000 0.447 119 S N -1.268 114.308 115.700 -0.206 0.000 2.368 119 S HA -0.134 4.336 4.470 0.000 0.000 0.225 119 S C 1.647 176.214 174.600 -0.055 0.000 1.030 119 S CA 1.413 59.475 58.200 -0.230 0.000 0.999 119 S CB -0.535 62.233 63.200 -0.721 0.000 0.844 119 S HN 0.640 nan 8.310 nan 0.000 0.459 120 F N 1.788 121.584 119.950 -0.257 0.000 2.095 120 F HA -0.132 4.395 4.527 0.000 0.000 0.298 120 F C 1.676 177.446 175.800 -0.051 0.000 1.104 120 F CA 1.315 59.174 58.000 -0.234 0.000 1.232 120 F CB -0.407 38.319 39.000 -0.457 0.000 0.987 120 F HN 0.102 nan 8.300 nan 0.000 0.475 121 F N -0.025 119.962 119.950 0.063 0.000 2.171 121 F HA -0.208 4.319 4.527 0.000 0.000 0.300 121 F C 2.641 178.378 175.800 -0.105 0.000 1.090 121 F CA 1.614 59.606 58.000 -0.013 0.000 1.293 121 F CB -1.069 37.989 39.000 0.097 0.000 1.013 121 F HN 0.056 nan 8.300 nan 0.000 0.486 122 M N -1.384 118.226 119.600 0.018 0.000 2.132 122 M HA -0.219 4.261 4.480 0.000 0.000 0.263 122 M C 2.299 178.584 176.300 -0.024 0.000 1.065 122 M CA 1.589 56.689 55.300 -0.333 0.000 1.122 122 M CB -0.425 31.744 32.600 -0.718 0.000 1.365 122 M HN 0.183 nan 8.290 nan 0.000 0.411 123 F N 0.195 120.155 119.950 0.017 0.000 2.095 123 F HA -0.254 4.273 4.527 0.000 0.000 0.298 123 F C 2.245 178.118 175.800 0.122 0.000 1.104 123 F CA 2.201 60.314 58.000 0.188 0.000 1.232 123 F CB -0.506 38.484 39.000 -0.016 0.000 0.987 123 F HN 0.092 nan 8.300 nan 0.000 0.475 124 V N 0.238 120.209 119.914 0.095 0.000 2.453 124 V HA -0.057 4.063 4.120 0.000 0.000 0.247 124 V C 2.289 178.419 176.094 0.060 0.000 1.048 124 V CA 1.650 63.983 62.300 0.056 0.000 1.049 124 V CB -1.094 30.695 31.823 -0.057 0.000 0.672 124 V HN 0.381 nan 8.190 nan 0.000 0.457 125 A N 0.237 123.060 122.820 0.004 0.000 1.892 125 A HA -0.165 4.155 4.320 0.000 0.000 0.218 125 A C 2.396 179.944 177.584 -0.060 0.000 1.188 125 A CA 2.754 54.773 52.037 -0.030 0.000 0.631 125 A CB -1.092 17.820 19.000 -0.147 0.000 0.822 125 A HN 0.563 nan 8.150 nan 0.000 0.447 126 V N -2.768 116.986 119.914 -0.267 0.000 2.379 126 V HA -0.234 3.886 4.120 0.000 0.000 0.245 126 V C 2.221 178.151 176.094 -0.273 0.000 1.044 126 V CA 1.624 63.651 62.300 -0.454 0.000 1.036 126 V CB -0.908 30.175 31.823 -1.234 0.000 0.664 126 V HN 0.784 nan 8.190 nan 0.000 0.453 127 W N 0.739 121.919 121.300 -0.201 0.000 2.436 127 W HA -0.133 4.527 4.660 0.000 0.000 0.284 127 W C 2.887 179.464 176.519 0.096 0.000 1.225 127 W CA 1.266 58.543 57.345 -0.114 0.000 1.271 127 W CB -0.269 29.006 29.460 -0.308 0.000 1.114 127 W HN 0.339 nan 8.180 nan 0.000 0.559 128 S N -1.042 114.831 115.700 0.288 0.000 2.387 128 S HA -0.231 4.239 4.470 0.000 0.000 0.226 128 S C 1.661 176.397 174.600 0.227 0.000 1.026 128 S CA 0.765 59.105 58.200 0.233 0.000 0.972 128 S CB -1.231 62.079 63.200 0.183 0.000 0.814 128 S HN 0.457 nan 8.310 nan 0.000 0.477 129 W N 0.992 122.347 121.300 0.091 0.000 2.374 129 W HA -0.105 4.556 4.660 0.000 0.000 0.288 129 W C 1.914 178.577 176.519 0.239 0.000 1.218 129 W CA 1.094 58.502 57.345 0.104 0.000 1.245 129 W CB -0.425 29.069 29.460 0.056 0.000 1.126 129 W HN 0.517 nan 8.180 nan 0.000 0.545 130 W N 1.396 122.861 121.300 0.275 0.000 2.379 130 W HA -0.073 4.587 4.660 0.000 0.000 0.307 130 W C 2.491 179.068 176.519 0.096 0.000 1.200 130 W CA 3.212 60.681 57.345 0.206 0.000 1.297 130 W CB -0.928 28.462 29.460 -0.117 0.000 1.140 130 W HN -0.128 nan 8.180 nan 0.000 0.507 131 G N 0.731 109.567 108.800 0.060 0.000 2.469 131 G HA2 -0.382 3.578 3.960 0.000 0.000 0.219 131 G HA3 -0.382 3.578 3.960 0.000 0.000 0.219 131 G C 1.648 176.364 174.900 -0.307 0.000 1.150 131 G CA 1.286 46.263 45.100 -0.206 0.000 0.763 131 G HN 0.373 nan 8.290 nan 0.000 0.561 132 R N 0.506 120.826 120.500 -0.300 0.000 2.096 132 R HA -0.114 4.226 4.340 0.000 0.000 0.235 132 R C 2.791 178.788 176.300 -0.504 0.000 1.127 132 R CA 2.176 58.013 56.100 -0.439 0.000 0.968 132 R CB -0.765 29.146 30.300 -0.648 0.000 0.861 132 R HN 0.468 nan 8.270 nan 0.000 0.440 133 T N -1.942 112.306 114.554 -0.510 0.000 2.833 133 T HA -0.208 4.142 4.350 0.000 0.000 0.269 133 T C 1.796 176.215 174.700 -0.468 0.000 1.054 133 T CA 1.175 63.012 62.100 -0.439 0.000 1.135 133 T CB -0.540 68.159 68.868 -0.283 0.000 0.869 133 T HN 0.428 nan 8.240 nan 0.000 0.466 134 Y N 1.797 121.676 120.300 -0.702 0.000 2.153 134 Y HA 0.211 4.761 4.550 0.000 0.000 0.289 134 Y C 2.171 177.779 175.900 -0.488 0.000 1.127 134 Y CA 0.973 58.652 58.100 -0.703 0.000 1.131 134 Y CB -0.373 37.530 38.460 -0.928 0.000 0.995 134 Y HN 0.127 nan 8.280 nan 0.000 0.505 135 L N -0.318 120.793 121.223 -0.187 0.000 2.083 135 L HA -0.209 4.131 4.340 0.000 0.000 0.209 135 L C 2.491 179.166 176.870 -0.326 0.000 1.083 135 L CA 0.918 55.642 54.840 -0.193 0.000 0.752 135 L CB -0.476 41.481 42.059 -0.170 0.000 0.899 135 L HN 0.104 nan 8.230 nan 0.000 0.433 136 R N 0.202 120.467 120.500 -0.393 0.000 2.092 136 R HA -0.057 4.283 4.340 0.000 0.000 0.231 136 R C 2.274 178.362 176.300 -0.352 0.000 1.119 136 R CA 1.393 57.242 56.100 -0.417 0.000 0.970 136 R CB -0.918 29.139 30.300 -0.405 0.000 0.864 136 R HN 0.361 nan 8.270 nan 0.000 0.440 137 A N 0.741 123.337 122.820 -0.372 0.000 1.897 137 A HA -0.167 4.153 4.320 0.000 0.000 0.215 137 A C 2.191 179.575 177.584 -0.334 0.000 1.181 137 A CA 1.249 53.074 52.037 -0.353 0.000 0.620 137 A CB -0.445 18.293 19.000 -0.436 0.000 0.821 137 A HN 0.359 nan 8.150 nan 0.000 0.443 138 Q N -0.390 119.180 119.800 -0.383 0.000 2.061 138 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 138 Q C 2.101 177.981 176.000 -0.199 0.000 0.984 138 Q CA 1.700 57.330 55.803 -0.288 0.000 0.846 138 Q CB -0.345 28.256 28.738 -0.227 0.000 0.902 138 Q HN 0.591 nan 8.270 nan 0.000 0.421 139 A N 0.096 122.787 122.820 -0.215 0.000 2.125 139 A HA -0.071 4.249 4.320 0.000 0.000 0.219 139 A C 1.659 179.147 177.584 -0.159 0.000 1.156 139 A CA 0.847 52.774 52.037 -0.182 0.000 0.671 139 A CB -0.187 18.669 19.000 -0.240 0.000 0.794 139 A HN 0.442 nan 8.150 nan 0.000 0.459 140 L N -1.701 119.417 121.223 -0.175 0.000 2.640 140 L HA 0.279 4.619 4.340 0.000 0.000 0.230 140 L C 1.538 178.335 176.870 -0.122 0.000 1.123 140 L CA 0.470 55.226 54.840 -0.141 0.000 0.900 140 L CB 0.212 42.181 42.059 -0.150 0.000 1.146 140 L HN 0.494 nan 8.230 nan 0.000 0.484 141 G N 0.425 109.148 108.800 -0.129 0.000 2.153 141 G HA2 -0.314 3.646 3.960 0.000 0.000 0.252 141 G HA3 -0.314 3.646 3.960 0.000 0.000 0.252 141 G C 0.253 175.086 174.900 -0.112 0.000 0.994 141 G CA 0.274 45.310 45.100 -0.107 0.000 0.698 141 G HN 0.274 nan 8.290 nan 0.000 0.521 142 M N 0.475 119.986 119.600 -0.147 0.000 2.291 142 M HA 0.537 5.017 4.480 0.000 0.000 0.324 142 M C 1.437 177.648 176.300 -0.148 0.000 1.148 142 M CA 0.052 55.271 55.300 -0.135 0.000 1.104 142 M CB 0.836 33.346 32.600 -0.150 0.000 1.483 142 M HN 0.219 nan 8.290 nan 0.000 0.467 143 G N 0.886 109.651 108.800 -0.058 0.000 2.732 143 G HA2 0.069 4.029 3.960 0.000 0.000 0.244 143 G HA3 0.069 4.029 3.960 0.000 0.000 0.244 143 G C 0.199 175.006 174.900 -0.155 0.000 1.226 143 G CA -0.495 44.608 45.100 0.006 0.000 0.860 143 G HN 0.655 nan 8.290 nan 0.000 0.583 144 K N 0.003 120.199 120.400 -0.340 0.000 2.570 144 K HA 0.124 4.444 4.320 0.000 0.000 0.210 144 K C 1.194 177.366 176.600 -0.712 0.000 1.048 144 K CA -0.170 55.676 56.287 -0.734 0.000 1.167 144 K CB 0.097 31.917 32.500 -1.133 0.000 0.892 144 K HN 0.599 nan 8.250 nan 0.000 0.480 145 H N 0.276 119.186 119.070 -0.267 0.000 2.387 145 H HA -0.068 4.488 4.556 0.000 0.000 0.299 145 H C 1.709 176.977 175.328 -0.100 0.000 1.090 145 H CA 1.904 57.901 56.048 -0.084 0.000 1.332 145 H CB -0.087 29.646 29.762 -0.049 0.000 1.386 145 H HN 0.083 nan 8.280 nan 0.000 0.516 146 T N 0.239 114.758 114.554 -0.059 0.000 2.674 146 T HA -0.167 4.183 4.350 0.000 0.000 0.265 146 T C 2.415 177.109 174.700 -0.011 0.000 1.039 146 T CA 1.363 63.426 62.100 -0.060 0.000 1.150 146 T CB -0.572 68.218 68.868 -0.130 0.000 0.864 146 T HN 0.518 nan 8.240 nan 0.000 0.427 147 A N 0.508 123.208 122.820 -0.200 0.000 1.940 147 A HA -0.114 4.206 4.320 0.000 0.000 0.219 147 A C 2.161 179.960 177.584 0.358 0.000 1.176 147 A CA 1.432 53.400 52.037 -0.115 0.000 0.631 147 A CB -1.182 17.431 19.000 -0.645 0.000 0.814 147 A HN 0.757 nan 8.150 nan 0.000 0.446 148 W N -0.560 120.870 121.300 0.217 0.000 2.379 148 W HA -0.005 4.655 4.660 0.000 0.000 0.307 148 W C 2.795 179.361 176.519 0.078 0.000 1.200 148 W CA 0.475 57.905 57.345 0.142 0.000 1.297 148 W CB -0.169 29.280 29.460 -0.019 0.000 1.140 148 W HN 0.386 nan 8.180 nan 0.000 0.507 149 A N 0.318 123.292 122.820 0.256 0.000 1.902 149 A HA -0.249 4.071 4.320 0.000 0.000 0.217 149 A C 1.774 179.507 177.584 0.248 0.000 1.181 149 A CA 1.412 53.532 52.037 0.138 0.000 0.623 149 A CB -1.209 17.829 19.000 0.064 0.000 0.818 149 A HN 0.343 nan 8.150 nan 0.000 0.443 150 F N 0.159 120.191 119.950 0.136 0.000 2.202 150 F HA -0.120 4.407 4.527 0.000 0.000 0.301 150 F C 1.767 177.641 175.800 0.124 0.000 1.082 150 F CA 1.105 59.189 58.000 0.141 0.000 1.313 150 F CB -0.667 38.459 39.000 0.211 0.000 1.024 150 F HN 0.177 nan 8.300 nan 0.000 0.495 151 L N -0.325 121.007 121.223 0.181 0.000 2.079 151 L HA -0.193 4.147 4.340 0.000 0.000 0.210 151 L C 2.801 179.686 176.870 0.025 0.000 1.081 151 L CA 2.005 56.818 54.840 -0.044 0.000 0.752 151 L CB -1.258 40.873 42.059 0.121 0.000 0.896 151 L HN 0.236 nan 8.230 nan 0.000 0.433 152 S N -1.209 114.549 115.700 0.096 0.000 2.356 152 S HA -0.200 4.270 4.470 0.000 0.000 0.223 152 S C 2.157 176.875 174.600 0.196 0.000 1.032 152 S CA 1.263 59.543 58.200 0.134 0.000 1.005 152 S CB -0.305 62.941 63.200 0.078 0.000 0.867 152 S HN 0.571 nan 8.310 nan 0.000 0.449 153 A N 1.149 124.062 122.820 0.154 0.000 1.902 153 A HA 0.028 4.348 4.320 0.000 0.000 0.217 153 A C 2.121 179.756 177.584 0.085 0.000 1.181 153 A CA 1.432 53.556 52.037 0.144 0.000 0.623 153 A CB -0.745 18.373 19.000 0.197 0.000 0.818 153 A HN 0.620 nan 8.150 nan 0.000 0.443 154 I N -1.332 119.188 120.570 -0.084 0.000 2.286 154 I HA -0.283 3.887 4.170 0.000 0.000 0.248 154 I C 2.470 178.673 176.117 0.144 0.000 1.115 154 I CA 1.327 62.536 61.300 -0.152 0.000 1.392 154 I CB -0.322 37.242 38.000 -0.728 0.000 1.065 154 I HN 0.765 nan 8.210 nan 0.000 0.418 155 W N 1.720 123.002 121.300 -0.031 0.000 2.317 155 W HA -0.338 4.322 4.660 0.000 0.000 0.318 155 W C 2.331 178.889 176.519 0.064 0.000 1.227 155 W CA 1.512 58.872 57.345 0.025 0.000 1.269 155 W CB -0.411 29.056 29.460 0.012 0.000 1.155 155 W HN 0.160 nan 8.180 nan 0.000 0.484 156 L N 1.036 122.212 121.223 -0.077 0.000 2.017 156 L HA -0.159 4.181 4.340 0.000 0.000 0.208 156 L C 2.345 179.167 176.870 -0.079 0.000 1.073 156 L CA 2.811 57.537 54.840 -0.190 0.000 0.745 156 L CB -1.792 40.264 42.059 -0.004 0.000 0.894 156 L HN 0.275 nan 8.230 nan 0.000 0.432 157 W N -0.030 121.188 121.300 -0.136 0.000 2.317 157 W HA -0.295 4.365 4.660 0.000 0.000 0.318 157 W C 2.318 178.795 176.519 -0.071 0.000 1.227 157 W CA 2.292 59.569 57.345 -0.112 0.000 1.269 157 W CB -0.331 29.037 29.460 -0.152 0.000 1.155 157 W HN 0.119 nan 8.180 nan 0.000 0.484 158 M N 0.149 119.583 119.600 -0.276 0.000 2.080 158 M HA -0.207 4.273 4.480 0.000 0.000 0.260 158 M C 1.946 178.135 176.300 -0.185 0.000 1.068 158 M CA 1.670 56.769 55.300 -0.335 0.000 1.109 158 M CB -1.743 30.844 32.600 -0.021 0.000 1.342 158 M HN 0.023 nan 8.290 nan 0.000 0.405 159 V N 0.663 120.394 119.914 -0.304 0.000 2.261 159 V HA -0.278 3.842 4.120 0.000 0.000 0.246 159 V C 2.549 178.554 176.094 -0.149 0.000 1.047 159 V CA 1.583 63.690 62.300 -0.320 0.000 1.015 159 V CB -0.690 30.762 31.823 -0.618 0.000 0.642 159 V HN 0.398 nan 8.190 nan 0.000 0.446 160 L N 0.193 121.322 121.223 -0.157 0.000 2.012 160 L HA -0.113 4.227 4.340 0.000 0.000 0.210 160 L C 2.389 179.231 176.870 -0.046 0.000 1.073 160 L CA 1.994 56.776 54.840 -0.096 0.000 0.748 160 L CB -0.840 41.133 42.059 -0.144 0.000 0.891 160 L HN 0.486 nan 8.230 nan 0.000 0.431 161 G N -2.768 105.980 108.800 -0.086 0.000 2.833 161 G HA2 -0.057 3.903 3.960 0.000 0.000 0.210 161 G HA3 -0.057 3.903 3.960 0.000 0.000 0.210 161 G C 0.993 176.081 174.900 0.313 0.000 1.139 161 G CA 0.043 45.186 45.100 0.071 0.000 0.771 161 G HN 0.282 nan 8.290 nan 0.000 0.535 162 F N -0.395 119.585 119.950 0.050 0.000 2.212 162 F HA 0.376 4.903 4.527 0.000 0.000 0.262 162 F C 2.047 177.919 175.800 0.120 0.000 0.906 162 F CA -0.028 58.085 58.000 0.189 0.000 1.127 162 F CB 0.089 39.149 39.000 0.101 0.000 1.178 162 F HN -0.042 nan 8.300 nan 0.000 0.779 163 I N 0.740 121.439 120.570 0.215 0.000 2.233 163 I HA -0.165 4.005 4.170 0.000 0.000 0.243 163 I C 2.520 178.618 176.117 -0.032 0.000 1.093 163 I CA 1.298 62.648 61.300 0.083 0.000 1.380 163 I CB -0.458 37.613 38.000 0.119 0.000 1.067 163 I HN 0.125 nan 8.210 nan 0.000 0.413 164 R N 1.037 121.531 120.500 -0.010 0.000 2.066 164 R HA -0.117 4.223 4.340 0.000 0.000 0.232 164 R C -0.413 175.875 176.300 -0.020 0.000 1.131 164 R CA 1.602 57.707 56.100 0.008 0.000 0.955 164 R CB -1.095 29.249 30.300 0.074 0.000 0.851 164 R HN 0.185 nan 8.270 nan 0.000 0.432 165 P HA -0.156 nan 4.420 nan 0.000 0.216 165 P C 1.086 178.172 177.300 -0.356 0.000 1.153 165 P CA 1.398 64.429 63.100 -0.115 0.000 0.858 165 P CB -0.021 31.691 31.700 0.020 0.000 0.789 166 I N -1.528 118.778 120.570 -0.440 0.000 2.226 166 I HA -0.219 3.951 4.170 0.000 0.000 0.245 166 I C 2.190 178.129 176.117 -0.296 0.000 1.100 166 I CA 1.337 62.335 61.300 -0.504 0.000 1.374 166 I CB -0.555 37.130 38.000 -0.526 0.000 1.057 166 I HN -0.113 nan 8.210 nan 0.000 0.413 167 L N -0.522 120.591 121.223 -0.183 0.000 2.201 167 L HA -0.160 4.180 4.340 0.000 0.000 0.212 167 L C 2.358 179.165 176.870 -0.106 0.000 1.105 167 L CA 0.735 55.507 54.840 -0.113 0.000 0.775 167 L CB -0.337 41.689 42.059 -0.054 0.000 0.913 167 L HN 0.295 nan 8.230 nan 0.000 0.440 168 M N -0.854 118.678 119.600 -0.112 0.000 2.506 168 M HA 0.126 4.606 4.480 0.000 0.000 0.260 168 M C 1.611 177.830 176.300 -0.134 0.000 1.104 168 M CA 1.012 56.257 55.300 -0.091 0.000 1.112 168 M CB -0.741 31.831 32.600 -0.047 0.000 1.401 168 M HN 0.400 nan 8.290 nan 0.000 0.473 169 G N 1.597 110.272 108.800 -0.208 0.000 2.141 169 G HA2 -0.205 3.755 3.960 0.000 0.000 0.242 169 G HA3 -0.205 3.755 3.960 0.000 0.000 0.242 169 G C 0.119 174.854 174.900 -0.275 0.000 0.982 169 G CA 0.478 45.436 45.100 -0.238 0.000 0.662 169 G HN 0.683 nan 8.290 nan 0.000 0.527 170 S N -2.352 113.161 115.700 -0.311 0.000 2.537 170 S HA 0.512 4.982 4.470 0.000 0.000 0.271 170 S C 0.338 174.763 174.600 -0.293 0.000 1.148 170 S CA -0.136 57.885 58.200 -0.299 0.000 0.868 170 S CB 0.554 63.680 63.200 -0.122 0.000 1.115 170 S HN 0.416 nan 8.310 nan 0.000 0.461 171 W N 1.683 122.947 121.300 -0.060 0.000 2.421 171 W HA -0.048 4.612 4.660 0.000 0.000 0.270 171 W C 2.659 179.037 176.519 -0.234 0.000 1.233 171 W CA 0.836 58.114 57.345 -0.113 0.000 1.226 171 W CB -0.110 29.308 29.460 -0.070 0.000 1.121 171 W HN 0.946 nan 8.180 nan 0.000 0.579 172 S N 0.057 115.777 115.700 0.034 0.000 2.465 172 S HA -0.196 4.274 4.470 0.000 0.000 0.241 172 S C 1.423 176.056 174.600 0.055 0.000 1.000 172 S CA 1.241 59.434 58.200 -0.011 0.000 0.964 172 S CB -0.298 62.913 63.200 0.019 0.000 0.763 172 S HN 0.279 nan 8.310 nan 0.000 0.512 173 E N 1.581 121.840 120.200 0.097 0.000 2.358 173 E HA 0.277 4.627 4.350 0.000 0.000 0.195 173 E C 1.175 177.998 176.600 0.371 0.000 1.010 173 E CA 0.588 57.132 56.400 0.240 0.000 0.856 173 E CB -0.323 29.484 29.700 0.178 0.000 0.795 173 E HN 0.739 nan 8.360 nan 0.000 0.504 174 A N 1.068 123.980 122.820 0.154 0.000 2.280 174 A HA 0.309 4.629 4.320 0.000 0.000 0.268 174 A C 0.367 177.799 177.584 -0.254 0.000 1.111 174 A CA -0.441 51.630 52.037 0.057 0.000 0.814 174 A CB 0.560 19.679 19.000 0.198 0.000 1.093 174 A HN -0.037 nan 8.150 nan 0.000 0.498 175 V N 2.297 121.919 119.914 -0.487 0.000 2.546 175 V HA 0.341 4.461 4.120 0.000 0.000 0.284 175 V C -1.893 173.997 176.094 -0.340 0.000 1.050 175 V CA -1.118 60.669 62.300 -0.856 0.000 0.981 175 V CB 0.969 32.286 31.823 -0.843 0.000 0.990 175 V HN 0.847 nan 8.190 nan 0.000 0.474 176 P HA 0.249 nan 4.420 nan 0.000 0.276 176 P C -1.363 175.912 177.300 -0.041 0.000 1.244 176 P CA -0.462 62.601 63.100 -0.062 0.000 0.801 176 P CB 0.566 32.318 31.700 0.086 0.000 1.006 177 Y N 0.346 120.875 120.300 0.383 0.000 2.535 177 Y HA 0.591 5.141 4.550 0.000 0.000 0.349 177 Y C 1.289 177.410 175.900 0.369 0.000 0.992 177 Y CA 0.013 58.282 58.100 0.282 0.000 1.248 177 Y CB 0.620 39.168 38.460 0.148 0.000 1.124 177 Y HN 0.540 nan 8.280 nan 0.000 0.520 178 G N 1.935 110.989 108.800 0.424 0.000 2.596 178 G HA2 0.291 4.251 3.960 0.000 0.000 0.296 178 G HA3 0.291 4.251 3.960 0.000 0.000 0.296 178 G C -0.217 174.847 174.900 0.272 0.000 1.513 178 G CA -0.736 44.611 45.100 0.412 0.000 0.851 178 G HN 0.276 nan 8.290 nan 0.000 0.548 179 I N 0.828 121.486 120.570 0.147 0.000 2.094 179 I HA 0.027 4.197 4.170 0.000 0.000 0.234 179 I C 2.606 178.865 176.117 0.237 0.000 1.063 179 I CA 1.216 62.538 61.300 0.037 0.000 1.328 179 I CB -1.085 36.675 38.000 -0.400 0.000 1.058 179 I HN 0.465 nan 8.210 nan 0.000 0.400 180 F N 1.929 121.868 119.950 -0.018 0.000 2.134 180 F HA -0.172 4.355 4.527 0.000 0.000 0.299 180 F C 3.039 178.870 175.800 0.052 0.000 1.097 180 F CA 1.338 59.304 58.000 -0.057 0.000 1.264 180 F CB -1.768 37.096 39.000 -0.226 0.000 1.001 180 F HN 0.204 nan 8.300 nan 0.000 0.479 181 S N -0.104 115.779 115.700 0.305 0.000 2.399 181 S HA -0.252 4.218 4.470 0.000 0.000 0.231 181 S C 2.099 176.896 174.600 0.328 0.000 1.022 181 S CA 1.433 59.802 58.200 0.282 0.000 0.983 181 S CB -1.257 62.105 63.200 0.269 0.000 0.803 181 S HN 0.660 nan 8.310 nan 0.000 0.480 182 H N 2.386 121.585 119.070 0.215 0.000 2.423 182 H HA 0.096 4.652 4.556 0.000 0.000 0.297 182 H C 1.889 177.378 175.328 0.268 0.000 1.075 182 H CA 1.359 57.534 56.048 0.211 0.000 1.342 182 H CB -0.590 29.256 29.762 0.141 0.000 1.395 182 H HN 0.462 nan 8.280 nan 0.000 0.530 183 L N 0.818 121.997 121.223 -0.073 0.000 2.027 183 L HA -0.139 4.201 4.340 0.000 0.000 0.206 183 L C 2.394 179.297 176.870 0.055 0.000 1.074 183 L CA 1.380 56.169 54.840 -0.085 0.000 0.745 183 L CB -0.468 41.555 42.059 -0.060 0.000 0.898 183 L HN 0.142 nan 8.230 nan 0.000 0.433 184 D N -0.433 120.033 120.400 0.111 0.000 2.123 184 D HA -0.255 4.385 4.640 0.000 0.000 0.196 184 D C 1.782 178.176 176.300 0.157 0.000 0.992 184 D CA 1.322 55.388 54.000 0.109 0.000 0.833 184 D CB -0.335 40.540 40.800 0.126 0.000 0.954 184 D HN 0.463 nan 8.370 nan 0.000 0.455 185 W N 1.680 123.021 121.300 0.068 0.000 2.363 185 W HA -0.200 4.460 4.660 0.000 0.000 0.296 185 W C 2.198 178.787 176.519 0.117 0.000 1.212 185 W CA 1.999 59.406 57.345 0.102 0.000 1.260 185 W CB -0.272 29.262 29.460 0.123 0.000 1.131 185 W HN -0.162 nan 8.180 nan 0.000 0.530 186 T N 0.250 115.000 114.554 0.326 0.000 2.701 186 T HA -0.278 4.072 4.350 0.000 0.000 0.263 186 T C 1.710 176.402 174.700 -0.014 0.000 1.040 186 T CA 1.605 63.800 62.100 0.159 0.000 1.147 186 T CB -0.808 68.154 68.868 0.156 0.000 0.865 186 T HN 0.395 nan 8.240 nan 0.000 0.426 187 N N 1.159 119.853 118.700 -0.010 0.000 2.036 187 N HA -0.225 4.515 4.740 0.000 0.000 0.195 187 N C 1.943 177.411 175.510 -0.071 0.000 1.037 187 N CA 1.802 54.825 53.050 -0.045 0.000 0.855 187 N CB -0.259 38.208 38.487 -0.035 0.000 1.033 187 N HN 0.279 nan 8.380 nan 0.000 0.423 188 N N -0.186 118.459 118.700 -0.091 0.000 2.149 188 N HA -0.176 4.564 4.740 0.000 0.000 0.188 188 N C 1.668 177.067 175.510 -0.184 0.000 1.019 188 N CA 1.028 53.996 53.050 -0.137 0.000 0.857 188 N CB -0.421 37.980 38.487 -0.143 0.000 0.997 188 N HN 0.276 nan 8.380 nan 0.000 0.426 189 F N 0.427 120.111 119.950 -0.443 0.000 2.126 189 F HA -0.145 4.382 4.527 0.000 0.000 0.299 189 F C 2.700 178.465 175.800 -0.057 0.000 1.096 189 F CA 1.598 59.373 58.000 -0.376 0.000 1.255 189 F CB -0.806 37.736 39.000 -0.763 0.000 0.997 189 F HN 0.067 nan 8.300 nan 0.000 0.479 190 S N -0.187 115.582 115.700 0.116 0.000 2.355 190 S HA -0.121 4.349 4.470 0.000 0.000 0.222 190 S C 2.038 176.635 174.600 -0.005 0.000 1.031 190 S CA 1.068 59.298 58.200 0.051 0.000 0.993 190 S CB -0.522 62.615 63.200 -0.105 0.000 0.859 190 S HN 0.240 nan 8.310 nan 0.000 0.453 191 L N 1.689 122.874 121.223 -0.063 0.000 2.013 191 L HA -0.047 4.293 4.340 0.000 0.000 0.212 191 L C 2.530 179.332 176.870 -0.112 0.000 1.073 191 L CA 1.520 56.314 54.840 -0.076 0.000 0.753 191 L CB -1.370 40.636 42.059 -0.088 0.000 0.890 191 L HN 0.222 nan 8.230 nan 0.000 0.432 192 V N -1.019 118.768 119.914 -0.210 0.000 2.809 192 V HA -0.202 3.918 4.120 0.000 0.000 0.256 192 V C 1.775 177.570 176.094 -0.499 0.000 1.080 192 V CA 1.108 63.183 62.300 -0.374 0.000 1.102 192 V CB -0.675 30.843 31.823 -0.507 0.000 0.705 192 V HN 0.526 nan 8.190 nan 0.000 0.475 193 H N -0.521 118.436 119.070 -0.187 0.000 2.505 193 H HA 0.313 4.869 4.556 0.000 0.000 0.289 193 H C 1.719 177.104 175.328 0.094 0.000 1.052 193 H CA 0.726 56.716 56.048 -0.097 0.000 1.156 193 H CB 0.376 30.079 29.762 -0.098 0.000 1.507 193 H HN 0.453 nan 8.280 nan 0.000 0.548 194 G N 2.122 111.005 108.800 0.138 0.000 2.160 194 G HA2 -0.313 3.647 3.960 0.000 0.000 0.244 194 G HA3 -0.313 3.647 3.960 0.000 0.000 0.244 194 G C -0.197 174.922 174.900 0.364 0.000 1.022 194 G CA 0.259 45.490 45.100 0.219 0.000 0.741 194 G HN 0.569 nan 8.290 nan 0.000 0.508 195 N N -1.679 117.170 118.700 0.248 0.000 3.367 195 N HA -0.136 4.604 4.740 0.000 0.000 0.269 195 N C 0.971 176.560 175.510 0.131 0.000 1.861 195 N CA 0.784 53.925 53.050 0.151 0.000 1.994 195 N CB -1.118 37.514 38.487 0.241 0.000 0.686 195 N HN 0.450 nan 8.380 nan 0.000 0.502 196 L N 2.744 123.881 121.223 -0.144 0.000 2.353 196 L HA -0.113 4.227 4.340 0.000 0.000 0.220 196 L C 1.610 178.321 176.870 -0.264 0.000 1.133 196 L CA 0.807 55.448 54.840 -0.331 0.000 0.798 196 L CB -0.374 41.278 42.059 -0.680 0.000 0.922 196 L HN 0.460 nan 8.230 nan 0.000 0.445 197 F N -0.962 118.858 119.950 -0.217 0.000 2.449 197 F HA -0.208 4.319 4.527 0.000 0.000 0.299 197 F C 1.733 177.384 175.800 -0.249 0.000 1.092 197 F CA 0.745 58.621 58.000 -0.206 0.000 1.446 197 F CB -0.904 37.909 39.000 -0.311 0.000 1.084 197 F HN 0.117 nan 8.300 nan 0.000 0.567 198 Y N -1.250 119.204 120.300 0.256 0.000 2.458 198 Y HA 0.122 4.672 4.550 0.000 0.000 0.256 198 Y C 0.822 176.799 175.900 0.128 0.000 1.159 198 Y CA -0.647 57.625 58.100 0.287 0.000 1.261 198 Y CB -0.635 38.090 38.460 0.442 0.000 1.119 198 Y HN -0.043 nan 8.280 nan 0.000 0.524 199 N N 2.801 121.379 118.700 -0.202 0.000 2.406 199 N HA 0.062 4.802 4.740 0.000 0.000 0.251 199 N C -1.843 173.429 175.510 -0.397 0.000 1.069 199 N CA -1.589 50.878 53.050 -0.971 0.000 0.947 199 N CB 1.096 38.709 38.487 -1.457 0.000 1.111 199 N HN -0.101 nan 8.380 nan 0.000 0.497 200 P HA -0.129 nan 4.420 nan 0.000 0.220 200 P C 0.707 177.846 177.300 -0.269 0.000 1.148 200 P CA 1.082 64.065 63.100 -0.195 0.000 0.803 200 P CB 0.032 31.637 31.700 -0.158 0.000 0.782 201 F N -0.748 119.106 119.950 -0.159 0.000 2.293 201 F HA -0.116 4.411 4.527 0.000 0.000 0.300 201 F C 2.803 178.589 175.800 -0.023 0.000 1.086 201 F CA 1.096 59.062 58.000 -0.057 0.000 1.375 201 F CB -1.233 37.738 39.000 -0.049 0.000 1.045 201 F HN 0.115 nan 8.300 nan 0.000 0.516 202 H N -0.239 118.816 119.070 -0.026 0.000 2.395 202 H HA -0.050 4.506 4.556 0.000 0.000 0.299 202 H C 2.390 177.705 175.328 -0.021 0.000 1.070 202 H CA 1.353 57.386 56.048 -0.025 0.000 1.356 202 H CB -0.345 29.368 29.762 -0.081 0.000 1.401 202 H HN 0.324 nan 8.280 nan 0.000 0.524 203 G N 1.210 110.004 108.800 -0.009 0.000 2.421 203 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 203 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 203 G C 2.014 176.811 174.900 -0.171 0.000 1.171 203 G CA 0.628 45.670 45.100 -0.097 0.000 0.775 203 G HN 0.321 nan 8.290 nan 0.000 0.543 204 L N 0.512 121.667 121.223 -0.114 0.000 2.012 204 L HA -0.134 4.207 4.340 0.000 0.000 0.210 204 L C 3.125 179.981 176.870 -0.023 0.000 1.073 204 L CA 1.453 56.228 54.840 -0.108 0.000 0.748 204 L CB -0.517 41.607 42.059 0.109 0.000 0.891 204 L HN 0.348 nan 8.230 nan 0.000 0.431 205 S N 0.032 115.787 115.700 0.091 0.000 2.370 205 S HA -0.193 4.277 4.470 0.000 0.000 0.226 205 S C 1.940 176.506 174.600 -0.056 0.000 1.033 205 S CA 1.404 59.678 58.200 0.123 0.000 1.011 205 S CB -0.246 62.984 63.200 0.050 0.000 0.852 205 S HN 0.289 nan 8.310 nan 0.000 0.457 206 I N 1.300 121.698 120.570 -0.286 0.000 2.252 206 I HA -0.132 4.038 4.170 0.000 0.000 0.245 206 I C 2.744 178.531 176.117 -0.549 0.000 1.102 206 I CA 0.955 61.951 61.300 -0.507 0.000 1.385 206 I CB -0.528 37.094 38.000 -0.629 0.000 1.064 206 I HN 0.365 nan 8.210 nan 0.000 0.414 207 A N 1.004 123.563 122.820 -0.435 0.000 1.917 207 A HA -0.240 4.080 4.320 0.000 0.000 0.219 207 A C 2.011 179.425 177.584 -0.284 0.000 1.182 207 A CA 1.865 53.664 52.037 -0.396 0.000 0.633 207 A CB -0.999 17.673 19.000 -0.547 0.000 0.819 207 A HN 0.372 nan 8.150 nan 0.000 0.448 208 F N -1.118 118.829 119.950 -0.005 0.000 2.259 208 F HA 0.020 4.547 4.527 0.000 0.000 0.298 208 F C 1.947 177.791 175.800 0.072 0.000 1.088 208 F CA 0.872 58.909 58.000 0.062 0.000 1.358 208 F CB -0.607 38.446 39.000 0.088 0.000 1.040 208 F HN 0.239 nan 8.300 nan 0.000 0.505 209 L N -1.066 120.258 121.223 0.168 0.000 2.044 209 L HA -0.177 4.163 4.340 0.000 0.000 0.205 209 L C 2.248 179.267 176.870 0.249 0.000 1.075 209 L CA 1.784 56.720 54.840 0.160 0.000 0.747 209 L CB -0.951 41.153 42.059 0.075 0.000 0.903 209 L HN 0.016 nan 8.230 nan 0.000 0.435 210 Y N 0.234 120.574 120.300 0.067 0.000 2.181 210 Y HA -0.062 4.488 4.550 0.000 0.000 0.288 210 Y C 2.580 178.519 175.900 0.065 0.000 1.146 210 Y CA 0.820 58.949 58.100 0.049 0.000 1.164 210 Y CB -1.611 36.854 38.460 0.009 0.000 0.982 210 Y HN 0.264 nan 8.280 nan 0.000 0.515 211 G N -1.137 107.808 108.800 0.242 0.000 2.422 211 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 211 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 211 G C 1.982 176.994 174.900 0.187 0.000 1.146 211 G CA 1.217 46.429 45.100 0.185 0.000 0.769 211 G HN 0.384 nan 8.290 nan 0.000 0.547 212 S N 0.865 116.694 115.700 0.215 0.000 2.368 212 S HA 0.003 4.473 4.470 0.000 0.000 0.225 212 S C 2.760 177.487 174.600 0.213 0.000 1.030 212 S CA 1.191 59.509 58.200 0.196 0.000 0.999 212 S CB -0.290 63.028 63.200 0.197 0.000 0.844 212 S HN 0.584 nan 8.310 nan 0.000 0.459 213 A N 1.325 124.268 122.820 0.205 0.000 1.897 213 A HA 0.037 4.357 4.320 0.000 0.000 0.215 213 A C 2.101 179.774 177.584 0.148 0.000 1.181 213 A CA 1.192 53.338 52.037 0.182 0.000 0.620 213 A CB -0.688 18.399 19.000 0.144 0.000 0.821 213 A HN 0.426 nan 8.150 nan 0.000 0.443 214 L N -0.588 120.708 121.223 0.122 0.000 1.989 214 L HA -0.151 4.189 4.340 0.000 0.000 0.211 214 L C 2.201 179.115 176.870 0.073 0.000 1.071 214 L CA 2.337 57.226 54.840 0.082 0.000 0.749 214 L CB -0.640 41.456 42.059 0.062 0.000 0.890 214 L HN 0.309 nan 8.230 nan 0.000 0.431 215 L N -1.632 119.636 121.223 0.076 0.000 2.109 215 L HA -0.114 4.226 4.340 0.000 0.000 0.207 215 L C 2.229 179.187 176.870 0.147 0.000 1.086 215 L CA 1.577 56.432 54.840 0.026 0.000 0.760 215 L CB -0.892 41.167 42.059 0.001 0.000 0.910 215 L HN 0.314 nan 8.230 nan 0.000 0.437 216 F N 0.194 120.174 119.950 0.050 0.000 2.206 216 F HA 0.025 4.552 4.527 0.000 0.000 0.298 216 F C 2.387 178.226 175.800 0.065 0.000 1.090 216 F CA 0.653 58.701 58.000 0.080 0.000 1.323 216 F CB -0.957 38.093 39.000 0.085 0.000 1.028 216 F HN 0.187 nan 8.300 nan 0.000 0.492 217 A N 0.068 123.029 122.820 0.234 0.000 1.877 217 A HA -0.226 4.094 4.320 0.000 0.000 0.216 217 A C 2.328 179.992 177.584 0.132 0.000 1.186 217 A CA 1.861 53.965 52.037 0.112 0.000 0.620 217 A CB -0.732 18.315 19.000 0.078 0.000 0.822 217 A HN 0.378 nan 8.150 nan 0.000 0.443 218 M N -1.838 117.847 119.600 0.142 0.000 2.065 218 M HA -0.205 4.275 4.480 0.000 0.000 0.259 218 M C 2.320 178.739 176.300 0.198 0.000 1.071 218 M CA 2.244 57.640 55.300 0.161 0.000 1.109 218 M CB -0.581 31.957 32.600 -0.103 0.000 1.313 218 M HN 0.703 nan 8.290 nan 0.000 0.408 219 H N -0.126 118.992 119.070 0.081 0.000 2.321 219 H HA -0.047 4.509 4.556 0.000 0.000 0.300 219 H C 1.956 177.371 175.328 0.144 0.000 1.087 219 H CA 2.159 58.256 56.048 0.083 0.000 1.319 219 H CB -0.738 29.039 29.762 0.024 0.000 1.379 219 H HN 0.328 nan 8.280 nan 0.000 0.501 220 G N 0.085 108.969 108.800 0.141 0.000 2.491 220 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 220 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 220 G C 1.945 176.787 174.900 -0.096 0.000 1.180 220 G CA 1.433 46.510 45.100 -0.038 0.000 0.774 220 G HN 0.639 nan 8.290 nan 0.000 0.562 221 A N -0.063 122.732 122.820 -0.042 0.000 1.933 221 A HA -0.001 4.319 4.320 0.000 0.000 0.218 221 A C 2.538 180.056 177.584 -0.109 0.000 1.175 221 A CA 2.473 54.465 52.037 -0.076 0.000 0.628 221 A CB -0.903 18.073 19.000 -0.040 0.000 0.814 221 A HN 0.325 nan 8.150 nan 0.000 0.444 222 T N 0.493 115.017 114.554 -0.050 0.000 2.674 222 T HA -0.106 4.244 4.350 0.000 0.000 0.265 222 T C 1.812 176.460 174.700 -0.087 0.000 1.039 222 T CA 1.468 63.535 62.100 -0.056 0.000 1.150 222 T CB -0.287 68.680 68.868 0.167 0.000 0.864 222 T HN 0.281 nan 8.240 nan 0.000 0.427 223 I N 1.224 121.711 120.570 -0.138 0.000 2.208 223 I HA -0.087 4.083 4.170 0.000 0.000 0.245 223 I C 2.368 178.424 176.117 -0.101 0.000 1.097 223 I CA 1.236 62.458 61.300 -0.129 0.000 1.363 223 I CB -1.308 36.550 38.000 -0.236 0.000 1.051 223 I HN 0.273 nan 8.210 nan 0.000 0.413 224 L N 0.404 121.548 121.223 -0.132 0.000 2.083 224 L HA -0.177 4.163 4.340 0.000 0.000 0.209 224 L C 2.705 179.498 176.870 -0.129 0.000 1.083 224 L CA 1.267 56.023 54.840 -0.140 0.000 0.752 224 L CB -0.646 41.310 42.059 -0.170 0.000 0.899 224 L HN 0.190 nan 8.230 nan 0.000 0.433 225 A N -0.096 122.648 122.820 -0.127 0.000 1.972 225 A HA -0.116 4.204 4.320 0.000 0.000 0.219 225 A C 1.876 179.437 177.584 -0.038 0.000 1.169 225 A CA 1.693 53.658 52.037 -0.119 0.000 0.635 225 A CB -0.504 18.383 19.000 -0.189 0.000 0.810 225 A HN 0.356 nan 8.150 nan 0.000 0.446 226 V N -1.842 118.081 119.914 0.016 0.000 3.271 226 V HA 0.160 4.280 4.120 0.000 0.000 0.327 226 V C 1.469 177.625 176.094 0.103 0.000 1.389 226 V CA 0.853 63.266 62.300 0.189 0.000 1.156 226 V CB -0.685 31.273 31.823 0.224 0.000 1.103 226 V HN 0.537 nan 8.190 nan 0.000 0.453 227 S N 2.015 117.697 115.700 -0.031 0.000 2.481 227 S HA -0.177 4.293 4.470 0.000 0.000 0.231 227 S C 1.933 176.466 174.600 -0.112 0.000 0.996 227 S CA 0.982 59.154 58.200 -0.048 0.000 0.942 227 S CB -0.661 62.501 63.200 -0.064 0.000 0.768 227 S HN 0.865 nan 8.310 nan 0.000 0.520 228 R N 0.352 120.688 120.500 -0.273 0.000 2.328 228 R HA 0.058 4.398 4.340 0.000 0.000 0.207 228 R C 0.251 176.171 176.300 -0.632 0.000 1.056 228 R CA 0.984 56.800 56.100 -0.472 0.000 1.016 228 R CB -0.685 29.224 30.300 -0.651 0.000 0.872 228 R HN 0.566 nan 8.270 nan 0.000 0.471 229 F N 0.133 120.082 119.950 -0.002 0.000 2.764 229 F HA 0.443 4.970 4.527 0.000 0.000 0.310 229 F C 1.058 176.859 175.800 0.002 0.000 1.124 229 F CA -0.193 57.807 58.000 0.000 0.000 1.252 229 F CB 1.313 40.311 39.000 -0.004 0.000 1.010 229 F HN 0.165 nan 8.300 nan 0.000 0.518 230 G N 0.838 109.696 108.800 0.098 0.000 2.198 230 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 230 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 230 G C 1.373 176.321 174.900 0.080 0.000 1.025 230 G CA 0.235 45.378 45.100 0.071 0.000 0.769 230 G HN 0.674 nan 8.290 nan 0.000 0.507 231 G N 0.806 109.664 108.800 0.097 0.000 2.462 231 G HA2 -0.095 3.865 3.960 0.000 0.000 0.220 231 G HA3 -0.095 3.865 3.960 0.000 0.000 0.220 231 G C 1.468 176.405 174.900 0.062 0.000 1.121 231 G CA 1.476 46.629 45.100 0.088 0.000 0.758 231 G HN 0.872 nan 8.290 nan 0.000 0.559 232 E N 0.977 121.198 120.200 0.035 0.000 2.418 232 E HA -0.075 4.275 4.350 0.000 0.000 0.197 232 E C 0.914 177.534 176.600 0.034 0.000 1.026 232 E CA 0.026 56.443 56.400 0.028 0.000 0.862 232 E CB -0.204 29.494 29.700 -0.003 0.000 0.799 232 E HN 0.292 nan 8.360 nan 0.000 0.518 233 R N 1.693 122.212 120.500 0.033 0.000 3.710 233 R HA 0.122 4.462 4.340 0.000 0.000 0.201 233 R C 0.846 177.164 176.300 0.030 0.000 1.641 233 R CA 0.004 56.118 56.100 0.023 0.000 1.390 233 R CB 0.116 30.429 30.300 0.021 0.000 1.341 233 R HN 0.267 nan 8.270 nan 0.000 0.728 234 E N 0.907 121.124 120.200 0.029 0.000 2.107 234 E HA -0.171 4.179 4.350 0.000 0.000 0.191 234 E C 1.365 177.967 176.600 0.002 0.000 0.982 234 E CA 0.939 57.365 56.400 0.044 0.000 0.809 234 E CB 0.086 29.820 29.700 0.057 0.000 0.756 234 E HN 0.481 nan 8.360 nan 0.000 0.459 235 L N 0.798 122.001 121.223 -0.033 0.000 2.083 235 L HA -0.200 4.140 4.340 0.000 0.000 0.209 235 L C 2.506 179.368 176.870 -0.014 0.000 1.083 235 L CA 1.089 55.905 54.840 -0.040 0.000 0.752 235 L CB -0.144 41.883 42.059 -0.053 0.000 0.899 235 L HN 0.093 nan 8.230 nan 0.000 0.433 236 E N -0.517 119.681 120.200 -0.002 0.000 2.216 236 E HA -0.163 4.187 4.350 0.000 0.000 0.192 236 E C 2.192 178.802 176.600 0.017 0.000 0.988 236 E CA 0.740 57.144 56.400 0.006 0.000 0.834 236 E CB 0.140 29.845 29.700 0.008 0.000 0.772 236 E HN 0.319 nan 8.360 nan 0.000 0.479 237 Q N -0.219 119.598 119.800 0.027 0.000 2.230 237 Q HA -0.042 4.298 4.340 0.000 0.000 0.202 237 Q C 2.218 178.239 176.000 0.036 0.000 0.963 237 Q CA 0.805 56.631 55.803 0.038 0.000 0.866 237 Q CB 0.089 28.861 28.738 0.057 0.000 0.931 237 Q HN 0.442 nan 8.270 nan 0.000 0.452 238 I N 0.468 121.057 120.570 0.031 0.000 2.252 238 I HA -0.216 3.954 4.170 0.000 0.000 0.245 238 I C 2.256 178.384 176.117 0.018 0.000 1.102 238 I CA 1.083 62.399 61.300 0.027 0.000 1.385 238 I CB -0.285 37.721 38.000 0.012 0.000 1.064 238 I HN 0.041 nan 8.210 nan 0.000 0.414 239 A N -0.794 122.032 122.820 0.010 0.000 2.016 239 A HA -0.128 4.192 4.320 0.000 0.000 0.217 239 A C 0.737 178.327 177.584 0.011 0.000 1.162 239 A CA 1.322 53.363 52.037 0.007 0.000 0.662 239 A CB -0.047 18.954 19.000 0.001 0.000 0.812 239 A HN 0.422 nan 8.150 nan 0.000 0.450 240 D N -1.269 119.139 120.400 0.014 0.000 2.752 240 D HA 0.111 4.751 4.640 0.000 0.000 0.242 240 D C -0.395 175.915 176.300 0.017 0.000 1.295 240 D CA -0.428 53.580 54.000 0.014 0.000 0.846 240 D CB -0.100 40.708 40.800 0.012 0.000 1.454 240 D HN 0.230 nan 8.370 nan 0.000 0.535 241 R N 1.077 121.588 120.500 0.017 0.000 2.500 241 R HA 0.340 4.680 4.340 0.000 0.000 0.281 241 R C 0.388 176.693 176.300 0.008 0.000 0.953 241 R CA 0.825 56.935 56.100 0.016 0.000 1.108 241 R CB 0.303 30.611 30.300 0.014 0.000 0.901 241 R HN 0.391 nan 8.270 nan 0.000 0.410 242 G N 0.611 109.415 108.800 0.006 0.000 2.820 242 G HA2 0.104 4.064 3.960 0.000 0.000 0.291 242 G HA3 0.104 4.064 3.960 0.000 0.000 0.291 242 G C 0.429 175.301 174.900 -0.047 0.000 1.323 242 G CA -0.268 44.829 45.100 -0.005 0.000 1.055 242 G HN 0.580 nan 8.290 nan 0.000 0.520 243 T N -0.491 114.008 114.554 -0.092 0.000 2.915 243 T HA -0.019 4.331 4.350 0.000 0.000 0.269 243 T C 2.584 177.103 174.700 -0.302 0.000 1.071 243 T CA 2.243 64.212 62.100 -0.218 0.000 1.132 243 T CB -0.562 68.125 68.868 -0.301 0.000 0.878 243 T HN 0.672 nan 8.240 nan 0.000 0.479 244 A N 1.337 124.059 122.820 -0.163 0.000 1.859 244 A HA 0.051 4.371 4.320 0.000 0.000 0.217 244 A C 2.742 180.310 177.584 -0.026 0.000 1.198 244 A CA 2.333 54.356 52.037 -0.023 0.000 0.629 244 A CB -1.477 17.609 19.000 0.142 0.000 0.830 244 A HN 0.671 nan 8.150 nan 0.000 0.446 245 A N -0.666 122.151 122.820 -0.005 0.000 1.930 245 A HA -0.147 4.173 4.320 0.000 0.000 0.217 245 A C 1.943 179.515 177.584 -0.020 0.000 1.175 245 A CA 1.610 53.658 52.037 0.017 0.000 0.627 245 A CB -0.507 18.514 19.000 0.034 0.000 0.815 245 A HN 0.670 nan 8.150 nan 0.000 0.443 246 E N -0.400 119.759 120.200 -0.068 0.000 2.047 246 E HA -0.169 4.181 4.350 0.000 0.000 0.191 246 E C 2.318 178.824 176.600 -0.157 0.000 0.987 246 E CA 1.089 57.429 56.400 -0.100 0.000 0.799 246 E CB -0.183 29.452 29.700 -0.109 0.000 0.752 246 E HN 0.561 nan 8.360 nan 0.000 0.449 247 R N 0.650 121.031 120.500 -0.198 0.000 2.092 247 R HA -0.037 4.303 4.340 0.000 0.000 0.231 247 R C 2.394 178.607 176.300 -0.145 0.000 1.119 247 R CA 0.932 56.895 56.100 -0.228 0.000 0.970 247 R CB -0.283 29.857 30.300 -0.268 0.000 0.864 247 R HN 0.085 nan 8.270 nan 0.000 0.440 248 A N 1.685 124.468 122.820 -0.061 0.000 1.865 248 A HA -0.172 4.148 4.320 0.000 0.000 0.217 248 A C 2.439 180.078 177.584 0.091 0.000 1.191 248 A CA 1.847 53.903 52.037 0.031 0.000 0.623 248 A CB -0.879 18.172 19.000 0.084 0.000 0.826 248 A HN 0.385 nan 8.150 nan 0.000 0.444 249 A N -0.522 122.319 122.820 0.035 0.000 1.892 249 A HA -0.109 4.211 4.320 0.000 0.000 0.218 249 A C 2.192 179.732 177.584 -0.075 0.000 1.188 249 A CA 1.739 53.794 52.037 0.031 0.000 0.631 249 A CB -0.639 18.358 19.000 -0.004 0.000 0.822 249 A HN 0.488 nan 8.150 nan 0.000 0.447 250 L N -2.299 118.758 121.223 -0.277 0.000 2.240 250 L HA -0.038 4.302 4.340 0.000 0.000 0.211 250 L C 2.363 178.765 176.870 -0.781 0.000 1.106 250 L CA 0.840 55.275 54.840 -0.675 0.000 0.793 250 L CB -0.427 41.019 42.059 -1.022 0.000 0.927 250 L HN 0.509 nan 8.230 nan 0.000 0.446 251 F N 0.171 119.766 119.950 -0.592 0.000 2.091 251 F HA -0.291 4.236 4.527 0.000 0.000 0.299 251 F C 1.951 177.455 175.800 -0.493 0.000 1.103 251 F CA 1.847 59.518 58.000 -0.548 0.000 1.228 251 F CB -0.363 38.260 39.000 -0.629 0.000 0.984 251 F HN -0.004 nan 8.300 nan 0.000 0.477 252 W N 0.208 121.483 121.300 -0.040 0.000 2.453 252 W HA 0.010 4.670 4.660 0.000 0.000 0.289 252 W C 2.791 179.193 176.519 -0.195 0.000 1.215 252 W CA 0.966 58.244 57.345 -0.112 0.000 1.297 252 W CB -0.485 28.915 29.460 -0.100 0.000 1.113 252 W HN -0.130 nan 8.180 nan 0.000 0.551 253 R N -0.164 120.350 120.500 0.023 0.000 2.083 253 R HA -0.207 4.133 4.340 0.000 0.000 0.237 253 R C 1.904 178.309 176.300 0.175 0.000 1.137 253 R CA 2.219 58.359 56.100 0.066 0.000 0.951 253 R CB -0.687 29.630 30.300 0.029 0.000 0.851 253 R HN 0.120 nan 8.270 nan 0.000 0.434 254 W N 0.147 121.378 121.300 -0.114 0.000 2.436 254 W HA 0.040 4.700 4.660 0.000 0.000 0.284 254 W C 2.137 178.532 176.519 -0.208 0.000 1.225 254 W CA 0.863 58.114 57.345 -0.157 0.000 1.271 254 W CB -1.047 28.293 29.460 -0.199 0.000 1.114 254 W HN 0.129 nan 8.180 nan 0.000 0.559 255 T N 0.814 115.297 114.554 -0.119 0.000 2.732 255 T HA -0.121 4.230 4.350 0.000 0.000 0.261 255 T C 1.677 176.391 174.700 0.023 0.000 1.040 255 T CA 1.978 63.967 62.100 -0.186 0.000 1.145 255 T CB -0.250 68.334 68.868 -0.473 0.000 0.866 255 T HN 0.210 nan 8.240 nan 0.000 0.427 256 M N -1.065 118.603 119.600 0.113 0.000 2.340 256 M HA 0.590 5.071 4.480 0.000 0.000 0.345 256 M C 1.228 177.688 176.300 0.266 0.000 1.008 256 M CA 0.248 55.659 55.300 0.184 0.000 0.987 256 M CB 1.069 33.797 32.600 0.213 0.000 1.598 256 M HN 0.282 nan 8.290 nan 0.000 0.569 257 G N 2.136 111.071 108.800 0.226 0.000 2.176 257 G HA2 -0.271 3.689 3.960 0.000 0.000 0.253 257 G HA3 -0.271 3.689 3.960 0.000 0.000 0.253 257 G C -0.229 174.895 174.900 0.373 0.000 0.979 257 G CA 0.564 45.822 45.100 0.263 0.000 0.641 257 G HN 0.856 nan 8.290 nan 0.000 0.530 258 F N -0.347 119.658 119.950 0.091 0.000 2.745 258 F HA 0.784 5.311 4.527 0.000 0.000 0.316 258 F C -0.832 175.019 175.800 0.085 0.000 1.155 258 F CA -1.398 56.648 58.000 0.077 0.000 0.937 258 F CB 0.796 39.829 39.000 0.055 0.000 1.361 258 F HN 0.453 nan 8.300 nan 0.000 0.472 259 N N 0.899 119.568 118.700 -0.052 0.000 3.116 259 N HA 0.692 5.432 4.740 0.000 0.000 0.244 259 N C -1.907 173.607 175.510 0.006 0.000 1.485 259 N CA -0.654 52.329 53.050 -0.110 0.000 0.884 259 N CB 1.901 40.404 38.487 0.026 0.000 1.415 259 N HN 1.104 nan 8.380 nan 0.000 0.524 260 A N 0.003 122.821 122.820 -0.003 0.000 2.352 260 A HA 0.811 5.131 4.320 0.000 0.000 0.299 260 A C 0.160 177.810 177.584 0.111 0.000 1.160 260 A CA -0.224 51.879 52.037 0.110 0.000 0.933 260 A CB 0.597 19.643 19.000 0.077 0.000 1.387 260 A HN 0.840 nan 8.150 nan 0.000 0.487 261 T N -3.173 111.460 114.554 0.131 0.000 2.948 261 T HA 0.427 4.777 4.350 0.000 0.000 0.285 261 T C 0.955 175.726 174.700 0.119 0.000 1.019 261 T CA -0.100 62.064 62.100 0.107 0.000 1.013 261 T CB 0.865 69.792 68.868 0.098 0.000 1.117 261 T HN 0.471 nan 8.240 nan 0.000 0.533 262 M N 0.412 120.086 119.600 0.123 0.000 2.106 262 M HA -0.061 4.419 4.480 0.000 0.000 0.259 262 M C 2.129 178.567 176.300 0.230 0.000 1.068 262 M CA 1.809 57.213 55.300 0.172 0.000 1.100 262 M CB -0.929 31.753 32.600 0.138 0.000 1.351 262 M HN 0.912 nan 8.290 nan 0.000 0.404 263 E N -1.438 118.854 120.200 0.153 0.000 2.046 263 E HA -0.095 4.255 4.350 0.000 0.000 0.190 263 E C 1.940 178.632 176.600 0.153 0.000 0.982 263 E CA 1.115 57.599 56.400 0.139 0.000 0.800 263 E CB -0.492 29.248 29.700 0.067 0.000 0.756 263 E HN 0.613 nan 8.360 nan 0.000 0.449 264 G N 1.270 110.146 108.800 0.127 0.000 2.422 264 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 264 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 264 G C 1.502 176.511 174.900 0.182 0.000 1.140 264 G CA 0.503 45.676 45.100 0.123 0.000 0.775 264 G HN 0.292 nan 8.290 nan 0.000 0.545 265 I N 0.836 121.486 120.570 0.133 0.000 2.335 265 I HA -0.115 4.055 4.170 0.000 0.000 0.251 265 I C 2.219 178.206 176.117 -0.216 0.000 1.129 265 I CA 0.984 62.273 61.300 -0.019 0.000 1.402 265 I CB -0.441 37.398 38.000 -0.269 0.000 1.069 265 I HN 0.286 nan 8.210 nan 0.000 0.424 266 H N -0.611 118.413 119.070 -0.076 0.000 2.502 266 H HA 0.118 4.674 4.556 0.000 0.000 0.283 266 H C 2.218 177.518 175.328 -0.046 0.000 1.015 266 H CA 0.830 56.805 56.048 -0.123 0.000 1.298 266 H CB 0.007 29.695 29.762 -0.123 0.000 1.411 266 H HN 0.263 nan 8.280 nan 0.000 0.556 267 R N -0.548 120.004 120.500 0.087 0.000 2.093 267 R HA -0.108 4.232 4.340 0.000 0.000 0.224 267 R C 1.472 177.853 176.300 0.134 0.000 1.101 267 R CA 1.170 57.328 56.100 0.096 0.000 0.979 267 R CB -0.268 30.061 30.300 0.049 0.000 0.877 267 R HN 0.377 nan 8.270 nan 0.000 0.441 268 W N 1.255 122.590 121.300 0.059 0.000 2.335 268 W HA -0.171 4.489 4.660 0.000 0.000 0.311 268 W C 2.627 179.154 176.519 0.014 0.000 1.213 268 W CA 1.313 58.685 57.345 0.046 0.000 1.274 268 W CB -0.383 29.053 29.460 -0.040 0.000 1.148 268 W HN 0.168 nan 8.180 nan 0.000 0.498 269 A N 0.219 123.114 122.820 0.126 0.000 1.865 269 A HA -0.247 4.073 4.320 0.000 0.000 0.217 269 A C 1.948 179.523 177.584 -0.014 0.000 1.191 269 A CA 1.917 53.928 52.037 -0.043 0.000 0.623 269 A CB -1.123 17.725 19.000 -0.253 0.000 0.826 269 A HN 0.368 nan 8.150 nan 0.000 0.444 270 I N -2.256 118.300 120.570 -0.023 0.000 2.315 270 I HA -0.248 3.922 4.170 0.000 0.000 0.248 270 I C 2.294 178.323 176.117 -0.146 0.000 1.117 270 I CA 1.363 62.601 61.300 -0.103 0.000 1.404 270 I CB -0.109 37.803 38.000 -0.146 0.000 1.071 270 I HN 0.622 nan 8.210 nan 0.000 0.419 271 W N -0.024 121.267 121.300 -0.015 0.000 2.409 271 W HA -0.211 4.449 4.660 0.000 0.000 0.299 271 W C 2.482 178.960 176.519 -0.069 0.000 1.203 271 W CA 0.874 58.185 57.345 -0.056 0.000 1.298 271 W CB -0.305 29.098 29.460 -0.094 0.000 1.127 271 W HN 0.136 nan 8.180 nan 0.000 0.528 272 M N 1.021 120.773 119.600 0.254 0.000 2.082 272 M HA -0.178 4.302 4.480 0.000 0.000 0.258 272 M C 2.078 178.460 176.300 0.137 0.000 1.069 272 M CA 2.525 57.961 55.300 0.227 0.000 1.102 272 M CB -0.864 31.891 32.600 0.258 0.000 1.336 272 M HN -0.036 nan 8.290 nan 0.000 0.404 273 A N -0.844 122.027 122.820 0.085 0.000 1.872 273 A HA -0.067 4.254 4.320 0.000 0.000 0.214 273 A C 2.195 179.801 177.584 0.037 0.000 1.187 273 A CA 1.949 54.026 52.037 0.067 0.000 0.614 273 A CB -1.613 17.406 19.000 0.032 0.000 0.826 273 A HN 0.684 nan 8.150 nan 0.000 0.442 274 V N -1.292 118.607 119.914 -0.024 0.000 2.626 274 V HA -0.106 4.014 4.120 0.000 0.000 0.252 274 V C 2.056 178.141 176.094 -0.016 0.000 1.067 274 V CA 1.907 64.182 62.300 -0.041 0.000 1.081 274 V CB -0.749 30.972 31.823 -0.170 0.000 0.686 274 V HN 0.428 nan 8.190 nan 0.000 0.468 275 L N -0.244 120.926 121.223 -0.087 0.000 2.275 275 L HA -0.062 4.278 4.340 0.000 0.000 0.215 275 L C 2.590 179.400 176.870 -0.099 0.000 1.119 275 L CA 0.987 55.661 54.840 -0.277 0.000 0.790 275 L CB -0.519 40.928 42.059 -1.021 0.000 0.919 275 L HN 0.268 nan 8.230 nan 0.000 0.443 276 V N 0.048 120.000 119.914 0.062 0.000 2.233 276 V HA -0.333 3.787 4.120 0.000 0.000 0.247 276 V C 2.583 178.783 176.094 0.176 0.000 1.050 276 V CA 2.658 65.071 62.300 0.189 0.000 1.010 276 V CB -1.004 30.920 31.823 0.168 0.000 0.637 276 V HN 0.658 nan 8.190 nan 0.000 0.444 277 T N -2.296 112.354 114.554 0.161 0.000 3.067 277 T HA 0.092 4.442 4.350 0.000 0.000 0.261 277 T C 1.836 176.727 174.700 0.318 0.000 1.110 277 T CA 0.580 62.801 62.100 0.201 0.000 1.113 277 T CB -0.117 68.864 68.868 0.188 0.000 0.917 277 T HN 0.262 nan 8.240 nan 0.000 0.499 278 L N 1.884 123.264 121.223 0.262 0.000 1.988 278 L HA -0.078 4.262 4.340 0.000 0.000 0.207 278 L C 3.315 180.381 176.870 0.327 0.000 1.071 278 L CA 2.083 57.088 54.840 0.274 0.000 0.744 278 L CB -1.112 41.001 42.059 0.091 0.000 0.893 278 L HN 0.501 nan 8.230 nan 0.000 0.433 279 T N -3.074 111.647 114.554 0.278 0.000 2.746 279 T HA -0.114 4.236 4.350 0.000 0.000 0.267 279 T C 1.889 176.767 174.700 0.296 0.000 1.039 279 T CA 1.057 63.381 62.100 0.374 0.000 1.142 279 T CB -0.993 68.182 68.868 0.512 0.000 0.866 279 T HN 0.387 nan 8.240 nan 0.000 0.444 280 G N 1.515 110.461 108.800 0.244 0.000 2.459 280 G HA2 0.011 3.971 3.960 0.000 0.000 0.217 280 G HA3 0.011 3.971 3.960 0.000 0.000 0.217 280 G C 1.782 176.731 174.900 0.081 0.000 1.183 280 G CA 0.777 45.971 45.100 0.157 0.000 0.776 280 G HN 0.677 nan 8.290 nan 0.000 0.552 281 G N 0.901 109.751 108.800 0.083 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 1.792 176.637 174.900 -0.092 0.000 1.154 281 G CA 0.904 45.865 45.100 -0.232 0.000 0.767 281 G HN 0.462 nan 8.290 nan 0.000 0.552 282 I N 1.151 121.819 120.570 0.164 0.000 2.179 282 I HA -0.088 4.082 4.170 0.000 0.000 0.242 282 I C 3.135 179.123 176.117 -0.216 0.000 1.088 282 I CA 1.012 62.267 61.300 -0.077 0.000 1.357 282 I CB -0.617 37.087 38.000 -0.495 0.000 1.051 282 I HN 0.247 nan 8.210 nan 0.000 0.409 283 G N 1.595 110.304 108.800 -0.151 0.000 2.476 283 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 283 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 283 G C 1.563 176.512 174.900 0.081 0.000 1.164 283 G CA 0.666 45.780 45.100 0.023 0.000 0.768 283 G HN 0.193 nan 8.290 nan 0.000 0.560 284 I N 0.377 120.959 120.570 0.020 0.000 2.252 284 I HA -0.033 4.137 4.170 0.000 0.000 0.245 284 I C 2.615 178.782 176.117 0.083 0.000 1.102 284 I CA 0.580 61.893 61.300 0.021 0.000 1.385 284 I CB -1.104 36.816 38.000 -0.133 0.000 1.064 284 I HN 0.142 nan 8.210 nan 0.000 0.414 285 L N 0.665 121.884 121.223 -0.007 0.000 2.083 285 L HA -0.106 4.234 4.340 0.000 0.000 0.209 285 L C 2.229 179.141 176.870 0.070 0.000 1.083 285 L CA 1.679 56.520 54.840 0.001 0.000 0.752 285 L CB -0.467 41.567 42.059 -0.042 0.000 0.899 285 L HN 0.119 nan 8.230 nan 0.000 0.433 286 L N -1.337 119.954 121.223 0.115 0.000 2.395 286 L HA 0.027 4.367 4.340 0.000 0.000 0.218 286 L C 0.921 177.866 176.870 0.124 0.000 1.130 286 L CA -0.053 54.869 54.840 0.136 0.000 0.826 286 L CB -0.420 41.772 42.059 0.221 0.000 0.941 286 L HN 0.022 nan 8.230 nan 0.000 0.451 287 S N 0.468 116.294 115.700 0.211 0.000 2.443 287 S HA 0.367 4.837 4.470 0.000 0.000 0.284 287 S C 1.126 175.705 174.600 -0.034 0.000 1.206 287 S CA 0.488 58.738 58.200 0.083 0.000 1.074 287 S CB 0.745 63.995 63.200 0.084 0.000 0.963 287 S HN 0.569 nan 8.310 nan 0.000 0.501 288 G N 3.172 111.984 108.800 0.020 0.000 2.268 288 G HA2 -0.355 3.605 3.960 0.000 0.000 0.240 288 G HA3 -0.355 3.605 3.960 0.000 0.000 0.240 288 G C 1.068 175.972 174.900 0.007 0.000 1.010 288 G CA 0.756 45.910 45.100 0.090 0.000 0.618 288 G HN 0.816 nan 8.290 nan 0.000 0.516 289 T N -2.352 112.203 114.554 0.002 0.000 2.976 289 T HA 0.424 4.774 4.350 0.000 0.000 0.257 289 T C 1.998 176.682 174.700 -0.027 0.000 1.051 289 T CA 2.039 64.134 62.100 -0.008 0.000 1.141 289 T CB 0.362 69.236 68.868 0.010 0.000 0.881 289 T HN 0.697 nan 8.240 nan 0.000 0.461 290 V N -0.137 119.747 119.914 -0.051 0.000 3.251 290 V HA 0.386 4.506 4.120 0.000 0.000 0.239 290 V C 0.061 176.067 176.094 -0.147 0.000 1.332 290 V CA -0.140 62.122 62.300 -0.063 0.000 1.224 290 V CB 1.380 33.186 31.823 -0.028 0.000 1.004 290 V HN 0.307 nan 8.190 nan 0.000 0.464 291 V N 1.204 120.947 119.914 -0.286 0.000 2.409 291 V HA 0.416 4.536 4.120 0.000 0.000 0.290 291 V C 0.237 176.085 176.094 -0.410 0.000 1.017 291 V CA -0.376 61.610 62.300 -0.522 0.000 0.841 291 V CB 1.567 32.587 31.823 -1.337 0.000 1.003 291 V HN 0.245 nan 8.190 nan 0.000 0.426 292 D N 2.306 122.552 120.400 -0.256 0.000 2.194 292 D HA 0.014 4.654 4.640 0.000 0.000 0.204 292 D C 0.730 176.928 176.300 -0.169 0.000 0.964 292 D CA 1.209 55.110 54.000 -0.165 0.000 0.846 292 D CB 0.318 41.040 40.800 -0.130 0.000 0.962 292 D HN 0.507 nan 8.370 nan 0.000 0.490 293 N N -0.668 117.907 118.700 -0.209 0.000 2.549 293 N HA 0.003 4.743 4.740 0.000 0.000 0.290 293 N C -0.329 175.164 175.510 -0.029 0.000 1.122 293 N CA -0.393 52.617 53.050 -0.066 0.000 0.885 293 N CB 0.461 38.949 38.487 0.001 0.000 1.455 293 N HN -0.100 nan 8.380 nan 0.000 0.521 294 W N 1.973 123.397 121.300 0.206 0.000 2.436 294 W HA -0.059 4.601 4.660 0.000 0.000 0.284 294 W C 1.788 178.478 176.519 0.286 0.000 1.225 294 W CA 0.379 57.888 57.345 0.273 0.000 1.271 294 W CB -0.202 29.423 29.460 0.274 0.000 1.114 294 W HN 0.675 nan 8.180 nan 0.000 0.559 295 Y N 0.820 121.250 120.300 0.216 0.000 2.097 295 Y HA -0.314 4.236 4.550 0.000 0.000 0.282 295 Y C 2.215 178.050 175.900 -0.107 0.000 1.152 295 Y CA 2.141 60.088 58.100 -0.255 0.000 1.136 295 Y CB -0.920 37.361 38.460 -0.298 0.000 0.975 295 Y HN -0.224 nan 8.280 nan 0.000 0.498 296 V N -0.625 119.247 119.914 -0.070 0.000 2.261 296 V HA -0.325 3.795 4.120 0.000 0.000 0.246 296 V C 2.125 178.147 176.094 -0.119 0.000 1.047 296 V CA 2.059 64.267 62.300 -0.154 0.000 1.015 296 V CB -1.225 30.587 31.823 -0.019 0.000 0.642 296 V HN 0.728 nan 8.190 nan 0.000 0.446 297 W N 1.390 122.598 121.300 -0.153 0.000 2.321 297 W HA -0.168 4.492 4.660 0.000 0.000 0.306 297 W C 2.284 178.762 176.519 -0.067 0.000 1.217 297 W CA 1.985 59.273 57.345 -0.096 0.000 1.257 297 W CB -0.622 28.784 29.460 -0.090 0.000 1.145 297 W HN 0.256 nan 8.180 nan 0.000 0.509 298 G N -0.417 108.476 108.800 0.156 0.000 2.432 298 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 298 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 298 G C 1.404 176.004 174.900 -0.500 0.000 1.135 298 G CA 0.899 45.948 45.100 -0.085 0.000 0.767 298 G HN 0.277 nan 8.290 nan 0.000 0.550 299 Q N 0.410 119.887 119.800 -0.538 0.000 2.297 299 Q HA 0.017 4.358 4.340 0.000 0.000 0.204 299 Q C 1.923 177.604 176.000 -0.530 0.000 0.962 299 Q CA 0.591 56.062 55.803 -0.554 0.000 0.879 299 Q CB -0.141 28.277 28.738 -0.533 0.000 0.947 299 Q HN 0.492 nan 8.270 nan 0.000 0.462 300 N N -0.525 117.867 118.700 -0.513 0.000 2.373 300 N HA -0.051 4.689 4.740 0.000 0.000 0.181 300 N C -0.028 175.201 175.510 -0.468 0.000 1.082 300 N CA 0.153 52.946 53.050 -0.428 0.000 0.885 300 N CB 0.284 38.568 38.487 -0.337 0.000 0.977 300 N HN 0.311 nan 8.380 nan 0.000 0.462 301 H N -0.992 117.730 119.070 -0.580 0.000 3.904 301 H HA -0.164 4.392 4.556 0.000 0.000 0.189 301 H C 0.644 175.384 175.328 -0.980 0.000 0.960 301 H CA 1.446 57.074 56.048 -0.701 0.000 1.226 301 H CB -1.265 28.293 29.762 -0.340 0.000 1.078 301 H HN 0.397 nan 8.280 nan 0.000 0.347 302 G N -0.472 107.838 108.800 -0.817 0.000 1.985 302 G HA2 0.684 4.644 3.960 0.000 0.000 0.303 302 G HA3 0.684 4.644 3.960 0.000 0.000 0.303 302 G C -0.463 174.273 174.900 -0.273 0.000 1.730 302 G CA 0.485 45.270 45.100 -0.525 0.000 1.057 302 G HN 0.693 nan 8.290 nan 0.000 0.515 303 M N 0.000 119.508 119.600 -0.154 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411