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 2uxj_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 0.000 177.605 177.584 0.035 0.000 1.274 1 A CA 0.000 52.051 52.037 0.024 0.000 0.836 1 A CB 0.000 19.016 19.000 0.026 0.000 0.831 2 E N -0.189 120.036 120.200 0.043 0.000 2.396 2 E HA 0.665 5.015 4.350 0.000 0.000 0.251 2 E C -0.782 175.893 176.600 0.124 0.000 0.949 2 E CA -0.745 55.697 56.400 0.070 0.000 0.834 2 E CB 0.575 30.306 29.700 0.053 0.000 1.309 2 E HN 0.851 nan 8.360 nan 0.000 0.405 3 Y N 1.123 121.414 120.300 -0.014 0.000 2.620 3 Y HA 0.044 4.594 4.550 0.000 0.000 0.330 3 Y C 0.367 176.251 175.900 -0.028 0.000 1.186 3 Y CA 0.116 58.208 58.100 -0.013 0.000 1.467 3 Y CB 0.962 39.412 38.460 -0.017 0.000 1.262 3 Y HN 0.514 nan 8.280 nan 0.000 0.550 4 Q N 3.374 122.986 119.800 -0.313 0.000 2.281 4 Q HA 0.024 4.364 4.340 0.000 0.000 0.215 4 Q C 0.556 176.192 176.000 -0.606 0.000 0.867 4 Q CA 0.313 55.898 55.803 -0.363 0.000 0.940 4 Q CB -0.045 28.587 28.738 -0.177 0.000 1.111 4 Q HN 0.854 nan 8.270 nan 0.000 0.513 5 N N 0.193 118.154 118.700 -1.232 0.000 2.741 5 N HA -0.176 4.564 4.740 0.000 0.000 0.251 5 N C 0.496 175.732 175.510 -0.457 0.000 1.112 5 N CA 0.469 52.931 53.050 -0.980 0.000 0.750 5 N CB -0.745 37.340 38.487 -0.670 0.000 1.119 5 N HN 0.184 nan 8.380 nan 0.000 0.561 6 I N -1.357 118.985 120.570 -0.379 0.000 2.277 6 I HA -0.008 4.162 4.170 0.000 0.000 0.243 6 I C 0.789 176.609 176.117 -0.495 0.000 1.094 6 I CA 1.213 62.252 61.300 -0.435 0.000 1.393 6 I CB -0.663 37.064 38.000 -0.455 0.000 1.078 6 I HN -0.003 nan 8.210 nan 0.000 0.417 7 F N 0.411 120.424 119.950 0.105 0.000 2.532 7 F HA 0.398 4.925 4.527 0.000 0.000 0.321 7 F C 0.890 176.895 175.800 0.342 0.000 1.089 7 F CA -1.005 57.138 58.000 0.238 0.000 0.926 7 F CB 1.147 40.279 39.000 0.219 0.000 1.168 7 F HN -0.289 nan 8.300 nan 0.000 0.459 8 S N 1.335 117.382 115.700 0.578 0.000 2.579 8 S HA 0.062 4.532 4.470 0.000 0.000 0.275 8 S C 0.910 175.813 174.600 0.505 0.000 1.345 8 S CA -0.483 58.010 58.200 0.489 0.000 1.031 8 S CB 0.983 64.371 63.200 0.314 0.000 0.892 8 S HN 0.718 nan 8.310 nan 0.000 0.529 9 Q N 0.056 119.997 119.800 0.236 0.000 2.250 9 Q HA 0.160 4.500 4.340 0.000 0.000 0.200 9 Q C -0.439 175.707 176.000 0.243 0.000 0.941 9 Q CA 0.620 56.516 55.803 0.156 0.000 0.872 9 Q CB 0.370 29.020 28.738 -0.147 0.000 0.965 9 Q HN 0.432 nan 8.270 nan 0.000 0.480 10 V N 1.410 121.407 119.914 0.140 0.000 2.623 10 V HA 0.211 4.331 4.120 0.000 0.000 0.304 10 V C -0.919 175.157 176.094 -0.030 0.000 1.054 10 V CA -0.821 61.515 62.300 0.060 0.000 0.882 10 V CB 1.893 33.718 31.823 0.003 0.000 1.002 10 V HN 0.115 nan 8.190 nan 0.000 0.424 11 Q N 2.685 122.389 119.800 -0.159 0.000 2.230 11 Q HA 0.747 5.087 4.340 0.000 0.000 0.253 11 Q C -0.558 175.366 176.000 -0.127 0.000 0.919 11 Q CA -0.640 55.041 55.803 -0.202 0.000 0.908 11 Q CB 2.590 31.091 28.738 -0.395 0.000 1.245 11 Q HN 0.748 nan 8.270 nan 0.000 0.437 12 V N -0.767 119.093 119.914 -0.091 0.000 2.864 12 V HA 0.751 4.871 4.120 0.000 0.000 0.314 12 V C -0.718 175.335 176.094 -0.069 0.000 1.073 12 V CA -1.009 61.247 62.300 -0.073 0.000 0.956 12 V CB 2.248 34.042 31.823 -0.048 0.000 1.023 12 V HN 0.757 nan 8.190 nan 0.000 0.435 13 R N 0.920 121.369 120.500 -0.084 0.000 2.673 13 R HA 0.769 5.109 4.340 0.000 0.000 0.281 13 R C -0.294 175.941 176.300 -0.109 0.000 0.991 13 R CA 0.167 56.204 56.100 -0.105 0.000 0.896 13 R CB 2.345 32.523 30.300 -0.204 0.000 1.201 13 R HN 1.229 nan 8.270 nan 0.000 0.457 14 G N 2.135 110.882 108.800 -0.089 0.000 3.135 14 G HA2 0.556 4.516 3.960 0.000 0.000 0.278 14 G HA3 0.556 4.516 3.960 0.000 0.000 0.278 14 G C -2.655 172.196 174.900 -0.082 0.000 1.302 14 G CA -0.801 44.252 45.100 -0.078 0.000 0.880 14 G HN 0.361 nan 8.290 nan 0.000 0.574 15 P HA 0.391 nan 4.420 nan 0.000 0.265 15 P C 0.204 177.550 177.300 0.077 0.000 1.187 15 P CA 0.036 63.132 63.100 -0.008 0.000 0.766 15 P CB 0.566 32.267 31.700 0.002 0.000 0.820 16 A N 2.298 125.211 122.820 0.155 0.000 2.561 16 A HA 0.045 4.365 4.320 0.000 0.000 0.234 16 A C 0.436 178.101 177.584 0.134 0.000 1.055 16 A CA 0.198 52.406 52.037 0.286 0.000 0.756 16 A CB -0.207 18.969 19.000 0.293 0.000 0.986 16 A HN 0.546 nan 8.150 nan 0.000 0.505 17 D N 2.195 122.659 120.400 0.106 0.000 2.359 17 D HA 0.348 4.988 4.640 0.000 0.000 0.230 17 D C 0.631 176.944 176.300 0.022 0.000 1.118 17 D CA -0.159 53.869 54.000 0.048 0.000 0.844 17 D CB 0.678 41.498 40.800 0.035 0.000 1.059 17 D HN 0.435 nan 8.370 nan 0.000 0.493 18 L N 2.886 124.120 121.223 0.019 0.000 2.558 18 L HA 0.273 4.613 4.340 0.000 0.000 0.225 18 L C 1.410 178.281 176.870 0.001 0.000 1.128 18 L CA 0.208 55.054 54.840 0.009 0.000 0.868 18 L CB -0.524 41.542 42.059 0.012 0.000 1.006 18 L HN 0.613 nan 8.230 nan 0.000 0.454 19 G N 0.031 108.829 108.800 -0.003 0.000 2.707 19 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 19 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 19 G C -0.413 174.478 174.900 -0.015 0.000 1.315 19 G CA -0.987 44.105 45.100 -0.013 0.000 0.832 19 G HN -0.154 nan 8.290 nan 0.000 0.573 20 M N 0.338 119.922 119.600 -0.026 0.000 2.245 20 M HA 0.294 4.774 4.480 0.000 0.000 0.330 20 M C 1.769 178.052 176.300 -0.028 0.000 1.098 20 M CA 0.657 55.940 55.300 -0.030 0.000 1.172 20 M CB 0.090 32.664 32.600 -0.043 0.000 1.467 20 M HN 0.705 nan 8.290 nan 0.000 0.454 21 T N -0.220 114.319 114.554 -0.025 0.000 2.988 21 T HA 0.032 4.382 4.350 0.000 0.000 0.240 21 T C 0.692 175.372 174.700 -0.034 0.000 1.014 21 T CA 0.103 62.191 62.100 -0.021 0.000 1.155 21 T CB 0.169 69.029 68.868 -0.013 0.000 0.872 21 T HN 0.594 nan 8.240 nan 0.000 0.440 22 E N 1.468 121.645 120.200 -0.038 0.000 3.521 22 E HA -0.234 4.116 4.350 0.000 0.000 0.371 22 E C 0.094 176.669 176.600 -0.042 0.000 1.564 22 E CA 1.582 57.955 56.400 -0.045 0.000 1.834 22 E CB -1.131 28.531 29.700 -0.064 0.000 1.742 22 E HN 0.379 nan 8.360 nan 0.000 0.445 23 D N 1.086 121.452 120.400 -0.056 0.000 2.352 23 D HA 0.145 4.785 4.640 0.000 0.000 0.236 23 D C -0.171 176.100 176.300 -0.049 0.000 1.148 23 D CA 0.137 54.108 54.000 -0.049 0.000 0.844 23 D CB -0.018 40.748 40.800 -0.057 0.000 0.933 23 D HN -0.039 nan 8.370 nan 0.000 0.507 24 V N 2.005 121.892 119.914 -0.045 0.000 2.555 24 V HA -0.026 4.095 4.120 0.000 0.000 0.286 24 V C 0.884 177.012 176.094 0.058 0.000 1.044 24 V CA -0.706 61.580 62.300 -0.022 0.000 1.026 24 V CB 1.026 32.835 31.823 -0.025 0.000 0.981 24 V HN 0.088 nan 8.190 nan 0.000 0.480 25 N N 4.980 123.761 118.700 0.135 0.000 2.406 25 N HA 0.085 4.825 4.740 0.000 0.000 0.269 25 N C 0.809 176.406 175.510 0.146 0.000 1.210 25 N CA 0.224 53.357 53.050 0.138 0.000 0.966 25 N CB 0.426 39.002 38.487 0.148 0.000 1.293 25 N HN 0.689 nan 8.380 nan 0.000 0.491 26 L N 2.197 123.461 121.223 0.070 0.000 2.362 26 L HA -0.102 4.238 4.340 0.000 0.000 0.219 26 L C 1.983 178.847 176.870 -0.010 0.000 1.134 26 L CA 0.783 55.647 54.840 0.040 0.000 0.807 26 L CB -0.287 41.785 42.059 0.021 0.000 0.927 26 L HN 0.551 nan 8.230 nan 0.000 0.447 27 A N -0.230 122.574 122.820 -0.027 0.000 2.066 27 A HA -0.110 4.210 4.320 0.000 0.000 0.218 27 A C 1.767 179.274 177.584 -0.128 0.000 1.157 27 A CA 1.035 53.036 52.037 -0.059 0.000 0.670 27 A CB -0.269 18.705 19.000 -0.044 0.000 0.804 27 A HN 0.381 nan 8.150 nan 0.000 0.453 28 N N -0.362 118.206 118.700 -0.220 0.000 2.398 28 N HA 0.034 4.774 4.740 0.000 0.000 0.188 28 N C 0.416 175.613 175.510 -0.521 0.000 1.122 28 N CA 0.244 53.004 53.050 -0.483 0.000 0.866 28 N CB -0.037 37.911 38.487 -0.898 0.000 0.970 28 N HN 0.413 nan 8.380 nan 0.000 0.462 29 R N 1.091 121.439 120.500 -0.252 0.000 2.254 29 R HA 0.170 4.510 4.340 0.000 0.000 0.318 29 R C 0.724 176.972 176.300 -0.087 0.000 1.031 29 R CA -0.189 55.838 56.100 -0.121 0.000 0.905 29 R CB 0.839 31.137 30.300 -0.003 0.000 1.050 29 R HN 0.122 nan 8.270 nan 0.000 0.456 30 S N 2.128 117.786 115.700 -0.069 0.000 2.650 30 S HA 0.239 4.709 4.470 0.000 0.000 0.251 30 S C 0.649 175.233 174.600 -0.027 0.000 1.325 30 S CA -0.338 57.835 58.200 -0.046 0.000 0.967 30 S CB 0.733 63.913 63.200 -0.034 0.000 1.000 30 S HN 0.639 nan 8.310 nan 0.000 0.584 31 G N -0.848 107.942 108.800 -0.018 0.000 2.535 31 G HA2 0.535 4.495 3.960 0.000 0.000 0.303 31 G HA3 0.535 4.495 3.960 0.000 0.000 0.303 31 G C -0.018 174.877 174.900 -0.008 0.000 1.237 31 G CA -0.537 44.559 45.100 -0.006 0.000 0.986 31 G HN 1.340 nan 8.290 nan 0.000 0.494 32 V N -0.739 119.176 119.914 0.002 0.000 2.963 32 V HA 0.562 4.682 4.120 0.000 0.000 0.306 32 V C 1.211 177.293 176.094 -0.020 0.000 1.077 32 V CA -0.151 62.138 62.300 -0.019 0.000 1.124 32 V CB 0.291 32.122 31.823 0.012 0.000 0.987 32 V HN 0.923 nan 8.190 nan 0.000 0.487 33 G N 2.758 111.519 108.800 -0.065 0.000 2.510 33 G HA2 0.624 4.584 3.960 0.000 0.000 0.280 33 G HA3 0.624 4.584 3.960 0.000 0.000 0.280 33 G C -2.276 172.597 174.900 -0.045 0.000 1.386 33 G CA -0.977 44.093 45.100 -0.050 0.000 1.047 33 G HN 0.792 nan 8.290 nan 0.000 0.527 34 P HA 0.418 nan 4.420 nan 0.000 0.279 34 P C -1.304 175.988 177.300 -0.013 0.000 1.276 34 P CA -0.490 62.654 63.100 0.074 0.000 0.801 34 P CB 0.924 32.666 31.700 0.069 0.000 1.127 35 F N -0.666 119.277 119.950 -0.011 0.000 2.443 35 F HA 0.358 4.885 4.527 0.000 0.000 0.335 35 F C 1.035 176.824 175.800 -0.018 0.000 1.104 35 F CA -0.167 57.822 58.000 -0.018 0.000 1.013 35 F CB 1.626 40.608 39.000 -0.030 0.000 1.136 35 F HN 0.091 nan 8.300 nan 0.000 0.470 36 S N 1.994 117.755 115.700 0.101 0.000 2.601 36 S HA 0.211 4.681 4.470 0.000 0.000 0.312 36 S C 0.798 175.425 174.600 0.045 0.000 1.107 36 S CA -0.498 57.742 58.200 0.066 0.000 1.129 36 S CB 0.669 63.891 63.200 0.037 0.000 0.982 36 S HN 0.738 nan 8.310 nan 0.000 0.469 37 T N 5.026 119.593 114.554 0.021 0.000 2.803 37 T HA -0.116 4.234 4.350 0.000 0.000 0.269 37 T C 1.686 176.322 174.700 -0.107 0.000 1.052 37 T CA 1.578 63.620 62.100 -0.097 0.000 1.136 37 T CB -0.291 68.537 68.868 -0.067 0.000 0.864 37 T HN 0.577 nan 8.240 nan 0.000 0.467 38 L N 0.599 121.875 121.223 0.089 0.000 2.027 38 L HA 0.059 4.399 4.340 0.000 0.000 0.206 38 L C 2.079 179.098 176.870 0.248 0.000 1.074 38 L CA 1.421 56.413 54.840 0.253 0.000 0.745 38 L CB -0.679 41.488 42.059 0.180 0.000 0.898 38 L HN 0.112 nan 8.230 nan 0.000 0.433 39 L N 0.231 121.542 121.223 0.147 0.000 2.079 39 L HA -0.095 4.245 4.340 0.000 0.000 0.210 39 L C 2.449 179.426 176.870 0.179 0.000 1.081 39 L CA 1.999 56.937 54.840 0.163 0.000 0.752 39 L CB -1.699 40.417 42.059 0.095 0.000 0.896 39 L HN 0.414 nan 8.230 nan 0.000 0.433 40 G N -2.194 106.633 108.800 0.044 0.000 2.470 40 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 40 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 40 G C 1.307 176.187 174.900 -0.034 0.000 1.121 40 G CA 0.479 45.550 45.100 -0.047 0.000 0.766 40 G HN 0.510 nan 8.290 nan 0.000 0.553 41 W N -1.215 120.194 121.300 0.182 0.000 2.465 41 W HA 0.204 4.864 4.660 0.000 0.000 0.268 41 W C 1.896 178.675 176.519 0.432 0.000 1.242 41 W CA -0.064 57.427 57.345 0.243 0.000 1.248 41 W CB -0.105 29.444 29.460 0.150 0.000 1.118 41 W HN 0.194 nan 8.180 nan 0.000 0.587 42 F N -1.193 119.016 119.950 0.431 0.000 2.549 42 F HA 0.446 4.973 4.527 0.000 0.000 0.275 42 F C 1.461 177.351 175.800 0.150 0.000 0.990 42 F CA 1.141 59.337 58.000 0.327 0.000 1.274 42 F CB -0.287 38.906 39.000 0.321 0.000 1.064 42 F HN -0.257 nan 8.300 nan 0.000 0.715 43 G N -0.373 108.575 108.800 0.248 0.000 3.183 43 G HA2 0.224 4.184 3.960 0.000 0.000 0.247 43 G HA3 0.224 4.184 3.960 0.000 0.000 0.247 43 G C -1.324 173.623 174.900 0.078 0.000 1.211 43 G CA -0.791 44.368 45.100 0.098 0.000 0.835 43 G HN -0.052 nan 8.290 nan 0.000 0.604 44 N N 0.352 119.081 118.700 0.048 0.000 2.530 44 N HA 0.396 5.136 4.740 0.000 0.000 0.273 44 N C 1.130 176.649 175.510 0.015 0.000 1.173 44 N CA 0.360 53.423 53.050 0.022 0.000 0.967 44 N CB 1.741 40.225 38.487 -0.004 0.000 1.109 44 N HN 0.529 nan 8.380 nan 0.000 0.453 45 A N 2.100 124.930 122.820 0.018 0.000 1.970 45 A HA -0.094 4.226 4.320 0.000 0.000 0.216 45 A C 0.984 178.481 177.584 -0.146 0.000 1.170 45 A CA 0.660 52.710 52.037 0.023 0.000 0.645 45 A CB -0.256 18.834 19.000 0.151 0.000 0.816 45 A HN 0.758 nan 8.150 nan 0.000 0.447 46 Q N 0.800 120.419 119.800 -0.300 0.000 2.297 46 Q HA 0.339 4.679 4.340 0.000 0.000 0.267 46 Q C -1.212 174.534 176.000 -0.423 0.000 1.006 46 Q CA -0.231 55.126 55.803 -0.743 0.000 0.896 46 Q CB 0.359 28.712 28.738 -0.641 0.000 1.186 46 Q HN 0.260 nan 8.270 nan 0.000 0.392 47 L N 3.675 124.632 121.223 -0.443 0.000 2.322 47 L HA 0.608 4.948 4.340 0.000 0.000 0.279 47 L C 0.808 177.556 176.870 -0.203 0.000 1.036 47 L CA 0.925 55.626 54.840 -0.231 0.000 0.807 47 L CB 0.508 42.474 42.059 -0.154 0.000 1.226 47 L HN 1.016 nan 8.230 nan 0.000 0.433 48 G N 4.325 113.053 108.800 -0.120 0.000 2.877 48 G HA2 -0.144 3.816 3.960 0.000 0.000 0.279 48 G HA3 -0.144 3.816 3.960 0.000 0.000 0.279 48 G C -2.808 172.039 174.900 -0.087 0.000 1.431 48 G CA -0.831 44.219 45.100 -0.082 0.000 0.883 48 G HN 0.447 nan 8.290 nan 0.000 0.547 49 P HA 0.593 nan 4.420 nan 0.000 0.277 49 P C -0.051 177.243 177.300 -0.011 0.000 1.271 49 P CA -0.520 62.563 63.100 -0.027 0.000 0.795 49 P CB 0.883 32.575 31.700 -0.013 0.000 1.101 50 I N -0.382 120.188 120.570 0.001 0.000 2.693 50 I HA 0.365 4.535 4.170 0.000 0.000 0.303 50 I C -0.901 175.243 176.117 0.045 0.000 1.025 50 I CA -1.368 59.949 61.300 0.028 0.000 1.086 50 I CB 1.617 39.635 38.000 0.030 0.000 1.268 50 I HN 0.204 nan 8.210 nan 0.000 0.440 51 Y N 6.687 126.953 120.300 -0.057 0.000 2.308 51 Y HA 0.290 4.840 4.550 0.000 0.000 0.329 51 Y C -0.440 175.424 175.900 -0.060 0.000 1.111 51 Y CA -0.134 57.926 58.100 -0.066 0.000 1.179 51 Y CB 0.914 39.316 38.460 -0.097 0.000 1.201 51 Y HN 0.445 nan 8.280 nan 0.000 0.483 52 L N 3.600 124.583 121.223 -0.399 0.000 2.814 52 L HA 0.564 4.904 4.340 0.000 0.000 0.183 52 L C 1.078 177.825 176.870 -0.205 0.000 1.362 52 L CA 1.205 55.921 54.840 -0.207 0.000 1.674 52 L CB -1.371 40.577 42.059 -0.185 0.000 1.673 52 L HN 0.934 nan 8.230 nan 0.000 0.869 53 G N -0.639 107.980 108.800 -0.302 0.000 2.828 53 G HA2 -0.232 3.728 3.960 0.000 0.000 0.463 53 G HA3 -0.232 3.728 3.960 0.000 0.000 0.463 53 G C 0.604 175.503 174.900 -0.001 0.000 1.394 53 G CA 0.049 45.086 45.100 -0.104 0.000 0.862 53 G HN 0.276 nan 8.290 nan 0.000 0.540 54 S N -0.611 115.108 115.700 0.032 0.000 2.387 54 S HA 0.058 4.528 4.470 0.000 0.000 0.226 54 S C 2.485 177.117 174.600 0.053 0.000 1.026 54 S CA 1.272 59.490 58.200 0.030 0.000 0.972 54 S CB -0.195 63.021 63.200 0.028 0.000 0.814 54 S HN 0.512 nan 8.310 nan 0.000 0.477 55 L N 1.082 122.342 121.223 0.061 0.000 2.056 55 L HA -0.079 4.261 4.340 0.000 0.000 0.207 55 L C 2.561 179.479 176.870 0.080 0.000 1.078 55 L CA 1.436 56.314 54.840 0.064 0.000 0.749 55 L CB -1.025 41.052 42.059 0.031 0.000 0.901 55 L HN 0.449 nan 8.230 nan 0.000 0.433 56 G N -1.000 107.838 108.800 0.063 0.000 2.422 56 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 56 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 56 G C 1.575 176.560 174.900 0.141 0.000 1.146 56 G CA 0.820 45.973 45.100 0.089 0.000 0.769 56 G HN 0.241 nan 8.290 nan 0.000 0.547 57 V N 0.817 120.789 119.914 0.098 0.000 2.295 57 V HA -0.147 3.973 4.120 0.000 0.000 0.246 57 V C 2.688 178.876 176.094 0.158 0.000 1.049 57 V CA 1.712 64.073 62.300 0.103 0.000 1.024 57 V CB -0.496 31.353 31.823 0.044 0.000 0.648 57 V HN 0.379 nan 8.190 nan 0.000 0.447 58 L N 0.050 121.360 121.223 0.144 0.000 2.042 58 L HA -0.167 4.173 4.340 0.000 0.000 0.210 58 L C 2.560 179.577 176.870 0.245 0.000 1.076 58 L CA 2.554 57.513 54.840 0.197 0.000 0.749 58 L CB -0.870 41.283 42.059 0.156 0.000 0.893 58 L HN 0.318 nan 8.230 nan 0.000 0.432 59 S N -1.164 114.667 115.700 0.219 0.000 2.355 59 S HA -0.155 4.315 4.470 0.000 0.000 0.222 59 S C 1.992 176.704 174.600 0.187 0.000 1.031 59 S CA 1.442 59.785 58.200 0.239 0.000 0.993 59 S CB -0.492 62.935 63.200 0.378 0.000 0.859 59 S HN 0.490 nan 8.310 nan 0.000 0.453 60 L N 0.550 121.895 121.223 0.203 0.000 2.056 60 L HA 0.090 4.430 4.340 0.000 0.000 0.207 60 L C 2.003 178.926 176.870 0.088 0.000 1.078 60 L CA 1.835 56.744 54.840 0.114 0.000 0.749 60 L CB -0.727 41.411 42.059 0.131 0.000 0.901 60 L HN 0.465 nan 8.230 nan 0.000 0.433 61 F N -0.645 119.319 119.950 0.023 0.000 2.102 61 F HA -0.202 4.325 4.527 0.000 0.000 0.298 61 F C 2.651 178.424 175.800 -0.045 0.000 1.105 61 F CA 1.812 59.814 58.000 0.004 0.000 1.239 61 F CB -0.716 38.302 39.000 0.030 0.000 0.991 61 F HN 0.142 nan 8.300 nan 0.000 0.474 62 S N -0.010 115.660 115.700 -0.049 0.000 2.356 62 S HA -0.114 4.356 4.470 0.000 0.000 0.223 62 S C 2.335 176.830 174.600 -0.175 0.000 1.032 62 S CA 1.430 59.557 58.200 -0.122 0.000 1.005 62 S CB -1.238 62.038 63.200 0.126 0.000 0.867 62 S HN 0.612 nan 8.310 nan 0.000 0.449 63 G N 1.302 110.034 108.800 -0.113 0.000 2.418 63 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 63 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 63 G C 1.400 176.232 174.900 -0.113 0.000 1.158 63 G CA 0.850 45.890 45.100 -0.101 0.000 0.771 63 G HN 0.502 nan 8.290 nan 0.000 0.545 64 L N -0.085 120.973 121.223 -0.274 0.000 2.056 64 L HA -0.053 4.287 4.340 0.000 0.000 0.207 64 L C 3.065 179.621 176.870 -0.523 0.000 1.078 64 L CA 0.638 55.191 54.840 -0.477 0.000 0.749 64 L CB -0.304 41.526 42.059 -0.382 0.000 0.901 64 L HN 0.126 nan 8.230 nan 0.000 0.433 65 M N -1.281 117.972 119.600 -0.578 0.000 2.149 65 M HA -0.257 4.223 4.480 0.000 0.000 0.261 65 M C 2.091 178.159 176.300 -0.386 0.000 1.064 65 M CA 1.736 56.598 55.300 -0.730 0.000 1.102 65 M CB -1.248 30.310 32.600 -1.736 0.000 1.369 65 M HN 0.458 nan 8.290 nan 0.000 0.408 66 W N 0.565 121.649 121.300 -0.360 0.000 2.354 66 W HA -0.271 4.389 4.660 0.000 0.000 0.315 66 W C 2.264 178.658 176.519 -0.208 0.000 1.206 66 W CA 1.544 58.783 57.345 -0.176 0.000 1.290 66 W CB -0.987 28.371 29.460 -0.169 0.000 1.152 66 W HN 0.176 nan 8.180 nan 0.000 0.489 67 F N 0.095 119.757 119.950 -0.479 0.000 2.095 67 F HA -0.183 4.344 4.527 0.000 0.000 0.298 67 F C 2.175 177.683 175.800 -0.487 0.000 1.104 67 F CA 2.222 59.792 58.000 -0.717 0.000 1.232 67 F CB -1.041 37.595 39.000 -0.606 0.000 0.987 67 F HN -0.096 nan 8.300 nan 0.000 0.475 68 F N -0.720 119.098 119.950 -0.221 0.000 2.259 68 F HA -0.178 4.349 4.527 0.000 0.000 0.298 68 F C 2.382 178.053 175.800 -0.215 0.000 1.088 68 F CA 1.083 58.947 58.000 -0.226 0.000 1.358 68 F CB -0.869 38.063 39.000 -0.114 0.000 1.040 68 F HN -0.157 nan 8.300 nan 0.000 0.505 69 T N 0.908 115.434 114.554 -0.046 0.000 2.746 69 T HA -0.166 4.184 4.350 0.000 0.000 0.267 69 T C 1.913 176.544 174.700 -0.115 0.000 1.039 69 T CA 1.341 63.426 62.100 -0.025 0.000 1.142 69 T CB -0.372 68.515 68.868 0.031 0.000 0.866 69 T HN 0.170 nan 8.240 nan 0.000 0.444 70 I N 1.055 121.394 120.570 -0.385 0.000 2.202 70 I HA -0.054 4.116 4.170 0.000 0.000 0.242 70 I C 2.907 178.666 176.117 -0.597 0.000 1.091 70 I CA 1.252 62.236 61.300 -0.526 0.000 1.368 70 I CB -0.676 36.787 38.000 -0.895 0.000 1.058 70 I HN 0.293 nan 8.210 nan 0.000 0.410 71 G N 1.348 109.817 108.800 -0.552 0.000 2.422 71 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 71 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 71 G C 1.553 176.531 174.900 0.131 0.000 1.146 71 G CA 0.500 45.419 45.100 -0.302 0.000 0.769 71 G HN 0.188 nan 8.290 nan 0.000 0.547 72 I N -0.095 120.580 120.570 0.175 0.000 2.394 72 I HA -0.065 4.105 4.170 0.000 0.000 0.251 72 I C 2.298 178.580 176.117 0.276 0.000 1.136 72 I CA 0.041 61.518 61.300 0.295 0.000 1.425 72 I CB -1.240 36.908 38.000 0.246 0.000 1.079 72 I HN 0.464 nan 8.210 nan 0.000 0.425 73 W N 1.255 122.594 121.300 0.065 0.000 2.363 73 W HA -0.276 4.384 4.660 0.000 0.000 0.296 73 W C 2.209 178.841 176.519 0.188 0.000 1.212 73 W CA 1.077 58.501 57.345 0.132 0.000 1.260 73 W CB -0.252 29.301 29.460 0.154 0.000 1.131 73 W HN 0.013 nan 8.180 nan 0.000 0.530 74 F N -0.467 119.369 119.950 -0.190 0.000 2.113 74 F HA -0.111 4.416 4.527 0.000 0.000 0.297 74 F C 2.116 177.383 175.800 -0.889 0.000 1.103 74 F CA 0.943 58.516 58.000 -0.712 0.000 1.248 74 F CB -1.726 37.004 39.000 -0.449 0.000 0.999 74 F HN -0.093 nan 8.300 nan 0.000 0.475 75 W N -0.908 120.245 121.300 -0.246 0.000 2.335 75 W HA -0.292 4.368 4.660 0.000 0.000 0.311 75 W C 2.690 178.494 176.519 -1.192 0.000 1.213 75 W CA 1.903 58.928 57.345 -0.533 0.000 1.274 75 W CB -1.194 28.029 29.460 -0.396 0.000 1.148 75 W HN 0.104 nan 8.180 nan 0.000 0.498 76 Y N 1.269 120.857 120.300 -1.187 0.000 2.081 76 Y HA -0.365 4.185 4.550 0.000 0.000 0.280 76 Y C 2.378 177.731 175.900 -0.911 0.000 1.163 76 Y CA 2.418 59.773 58.100 -1.242 0.000 1.135 76 Y CB -0.861 37.188 38.460 -0.684 0.000 0.970 76 Y HN 0.027 nan 8.280 nan 0.000 0.498 77 Q N -0.277 118.919 119.800 -1.006 0.000 2.226 77 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 77 Q C 2.145 177.787 176.000 -0.597 0.000 0.975 77 Q CA 1.038 56.320 55.803 -0.867 0.000 0.866 77 Q CB -0.273 28.035 28.738 -0.717 0.000 0.915 77 Q HN 0.634 nan 8.270 nan 0.000 0.440 78 A N 0.188 122.597 122.820 -0.686 0.000 2.238 78 A HA 0.258 4.578 4.320 0.000 0.000 0.208 78 A C 1.417 178.862 177.584 -0.232 0.000 1.177 78 A CA 0.645 52.515 52.037 -0.278 0.000 0.804 78 A CB -0.401 18.486 19.000 -0.188 0.000 0.823 78 A HN 0.427 nan 8.150 nan 0.000 0.482 79 G N -2.169 106.366 108.800 -0.441 0.000 2.249 79 G HA2 -0.312 3.648 3.960 0.000 0.000 0.273 79 G HA3 -0.312 3.648 3.960 0.000 0.000 0.273 79 G C 0.301 175.197 174.900 -0.006 0.000 1.036 79 G CA 0.318 45.260 45.100 -0.264 0.000 0.824 79 G HN 1.157 nan 8.290 nan 0.000 0.504 80 W N -2.462 118.906 121.300 0.113 0.000 3.520 80 W HA -0.200 4.460 4.660 0.000 0.000 0.305 80 W C 0.624 177.298 176.519 0.257 0.000 1.150 80 W CA 0.276 57.754 57.345 0.222 0.000 0.656 80 W CB -1.991 27.503 29.460 0.057 0.000 2.198 80 W HN 0.604 nan 8.180 nan 0.000 1.417 81 N N 1.073 119.982 118.700 0.348 0.000 2.426 81 N HA 0.212 4.952 4.740 0.000 0.000 0.257 81 N C -1.185 174.535 175.510 0.351 0.000 1.002 81 N CA -1.836 51.384 53.050 0.283 0.000 0.942 81 N CB 1.555 40.134 38.487 0.153 0.000 1.112 81 N HN -0.232 nan 8.380 nan 0.000 0.499 82 P HA -0.029 nan 4.420 nan 0.000 0.218 82 P C 0.765 178.217 177.300 0.253 0.000 1.149 82 P CA 0.946 64.301 63.100 0.425 0.000 0.817 82 P CB 0.314 32.235 31.700 0.368 0.000 0.785 83 A N -0.537 122.386 122.820 0.172 0.000 1.898 83 A HA -0.113 4.207 4.320 0.000 0.000 0.216 83 A C 2.297 179.918 177.584 0.062 0.000 1.181 83 A CA 1.551 53.647 52.037 0.099 0.000 0.620 83 A CB -1.618 17.422 19.000 0.066 0.000 0.819 83 A HN 0.024 nan 8.150 nan 0.000 0.442 84 V N -1.099 118.860 119.914 0.075 0.000 2.407 84 V HA -0.229 3.891 4.120 0.000 0.000 0.248 84 V C 2.260 178.402 176.094 0.080 0.000 1.055 84 V CA 1.999 64.323 62.300 0.041 0.000 1.049 84 V CB -0.983 30.872 31.823 0.053 0.000 0.662 84 V HN 0.628 nan 8.190 nan 0.000 0.455 85 F N 0.331 120.244 119.950 -0.061 0.000 2.126 85 F HA -0.210 4.317 4.527 0.000 0.000 0.299 85 F C 2.020 177.769 175.800 -0.086 0.000 1.096 85 F CA 1.805 59.706 58.000 -0.165 0.000 1.255 85 F CB -0.152 38.364 39.000 -0.806 0.000 0.997 85 F HN 0.032 nan 8.300 nan 0.000 0.479 86 L N -0.315 120.880 121.223 -0.046 0.000 2.131 86 L HA -0.118 4.222 4.340 0.000 0.000 0.206 86 L C 2.721 179.445 176.870 -0.243 0.000 1.087 86 L CA 1.162 55.918 54.840 -0.140 0.000 0.767 86 L CB -0.610 41.454 42.059 0.009 0.000 0.917 86 L HN 0.073 nan 8.230 nan 0.000 0.441 87 R N 0.222 120.608 120.500 -0.190 0.000 2.081 87 R HA -0.168 4.172 4.340 0.000 0.000 0.235 87 R C 0.690 176.783 176.300 -0.345 0.000 1.131 87 R CA 1.852 57.816 56.100 -0.228 0.000 0.960 87 R CB 0.050 30.240 30.300 -0.182 0.000 0.856 87 R HN 0.275 nan 8.270 nan 0.000 0.436 88 D N 0.155 120.257 120.400 -0.497 0.000 2.402 88 D HA -0.003 4.637 4.640 0.000 0.000 0.216 88 D C 1.240 176.910 176.300 -1.050 0.000 1.128 88 D CA -0.129 53.407 54.000 -0.772 0.000 0.833 88 D CB 0.448 40.602 40.800 -1.077 0.000 0.971 88 D HN 0.097 nan 8.370 nan 0.000 0.503 89 L N 0.239 121.017 121.223 -0.742 0.000 2.021 89 L HA -0.216 4.124 4.340 0.000 0.000 0.215 89 L C 1.413 178.060 176.870 -0.372 0.000 1.074 89 L CA 1.827 56.317 54.840 -0.584 0.000 0.760 89 L CB -0.489 41.221 42.059 -0.581 0.000 0.889 89 L HN -0.022 nan 8.230 nan 0.000 0.433 90 F N -1.746 117.856 119.950 -0.581 0.000 2.661 90 F HA 0.034 4.561 4.527 0.000 0.000 0.298 90 F C 1.950 177.135 175.800 -1.025 0.000 1.137 90 F CA 0.157 57.581 58.000 -0.959 0.000 1.454 90 F CB -1.160 36.827 39.000 -1.688 0.000 1.103 90 F HN 0.060 nan 8.300 nan 0.000 0.577 91 F N -1.793 117.819 119.950 -0.563 0.000 2.619 91 F HA 0.100 4.627 4.527 0.000 0.000 0.293 91 F C 0.806 176.380 175.800 -0.376 0.000 1.119 91 F CA -0.362 57.430 58.000 -0.347 0.000 1.445 91 F CB -0.483 38.308 39.000 -0.348 0.000 1.119 91 F HN -0.332 nan 8.300 nan 0.000 0.573 92 F N 0.655 120.386 119.950 -0.366 0.000 2.506 92 F HA 0.325 4.852 4.527 0.000 0.000 0.351 92 F C 0.692 176.208 175.800 -0.473 0.000 1.136 92 F CA -0.601 56.967 58.000 -0.720 0.000 1.298 92 F CB 0.429 38.339 39.000 -1.817 0.000 1.145 92 F HN -0.348 nan 8.300 nan 0.000 0.593 93 S N 2.560 118.373 115.700 0.188 0.000 2.572 93 S HA 0.552 5.022 4.470 0.000 0.000 0.274 93 S C -1.782 173.270 174.600 0.754 0.000 1.150 93 S CA -0.704 57.780 58.200 0.475 0.000 0.944 93 S CB 0.909 64.314 63.200 0.343 0.000 1.071 93 S HN 0.531 nan 8.310 nan 0.000 0.479 94 L N 4.914 126.573 121.223 0.727 0.000 2.255 94 L HA 0.611 4.951 4.340 0.000 0.000 0.289 94 L C -0.344 176.719 176.870 0.322 0.000 1.046 94 L CA 0.235 55.290 54.840 0.360 0.000 0.816 94 L CB 0.724 42.939 42.059 0.261 0.000 1.197 94 L HN 0.625 nan 8.230 nan 0.000 0.427 95 E N 6.731 127.009 120.200 0.131 0.000 2.214 95 E HA 0.478 4.828 4.350 0.000 0.000 0.274 95 E C -2.488 173.952 176.600 -0.267 0.000 0.977 95 E CA -1.866 54.523 56.400 -0.018 0.000 0.827 95 E CB 1.114 30.848 29.700 0.056 0.000 1.130 95 E HN 0.449 nan 8.360 nan 0.000 0.394 96 P HA 0.198 nan 4.420 nan 0.000 0.274 96 P C -2.548 174.554 177.300 -0.330 0.000 1.256 96 P CA -1.403 61.089 63.100 -1.013 0.000 0.795 96 P CB -0.544 30.305 31.700 -1.418 0.000 1.038 97 P HA 0.073 nan 4.420 nan 0.000 0.269 97 P C -0.188 177.167 177.300 0.091 0.000 1.215 97 P CA 0.203 63.319 63.100 0.028 0.000 0.780 97 P CB 0.026 31.808 31.700 0.138 0.000 0.898 98 A N 4.435 127.373 122.820 0.196 0.000 2.406 98 A HA 0.228 4.548 4.320 0.000 0.000 0.243 98 A C -1.240 176.432 177.584 0.147 0.000 1.082 98 A CA -0.720 51.415 52.037 0.164 0.000 0.786 98 A CB -1.129 17.985 19.000 0.190 0.000 1.029 98 A HN 0.426 nan 8.150 nan 0.000 0.495 99 P HA -0.162 nan 4.420 nan 0.000 0.218 99 P C 0.646 177.947 177.300 0.002 0.000 1.146 99 P CA 1.621 64.736 63.100 0.026 0.000 0.813 99 P CB 0.100 31.797 31.700 -0.005 0.000 0.778 100 E N -1.785 118.392 120.200 -0.039 0.000 2.268 100 E HA -0.151 4.199 4.350 0.000 0.000 0.195 100 E C 1.450 177.922 176.600 -0.213 0.000 0.995 100 E CA 0.920 57.227 56.400 -0.155 0.000 0.836 100 E CB -1.036 28.519 29.700 -0.243 0.000 0.763 100 E HN 0.451 nan 8.360 nan 0.000 0.491 101 Y N 0.499 120.819 120.300 0.033 0.000 2.583 101 Y HA 0.044 4.594 4.550 0.000 0.000 0.293 101 Y C 1.823 177.752 175.900 0.048 0.000 1.157 101 Y CA 0.283 58.418 58.100 0.058 0.000 1.315 101 Y CB -0.238 38.282 38.460 0.099 0.000 1.021 101 Y HN 0.133 nan 8.280 nan 0.000 0.536 102 G N 0.908 109.771 108.800 0.105 0.000 2.634 102 G HA2 -0.375 3.585 3.960 0.000 0.000 0.309 102 G HA3 -0.375 3.585 3.960 0.000 0.000 0.309 102 G C 0.652 175.516 174.900 -0.060 0.000 1.265 102 G CA 0.740 45.832 45.100 -0.013 0.000 0.998 102 G HN 0.280 nan 8.290 nan 0.000 0.551 103 L N 1.289 122.409 121.223 -0.172 0.000 2.607 103 L HA 0.339 4.679 4.340 0.000 0.000 0.228 103 L C 1.789 178.760 176.870 0.169 0.000 1.123 103 L CA 0.631 55.275 54.840 -0.327 0.000 0.890 103 L CB 0.152 41.876 42.059 -0.558 0.000 1.103 103 L HN 0.505 nan 8.230 nan 0.000 0.468 104 S N 0.054 115.859 115.700 0.175 0.000 2.626 104 S HA -0.053 4.417 4.470 0.000 0.000 0.303 104 S C 0.988 175.818 174.600 0.384 0.000 1.256 104 S CA -0.087 58.234 58.200 0.202 0.000 1.069 104 S CB 0.031 63.372 63.200 0.236 0.000 0.807 104 S HN 0.293 nan 8.310 nan 0.000 0.500 105 F N 2.703 122.760 119.950 0.180 0.000 2.802 105 F HA 0.088 4.615 4.527 0.000 0.000 0.300 105 F C 2.016 177.830 175.800 0.024 0.000 1.168 105 F CA -0.070 57.982 58.000 0.087 0.000 1.433 105 F CB 0.009 39.037 39.000 0.047 0.000 1.115 105 F HN 0.742 nan 8.300 nan 0.000 0.582 106 A N 0.555 123.506 122.820 0.218 0.000 2.337 106 A HA 0.490 4.810 4.320 0.000 0.000 0.227 106 A C 1.061 178.635 177.584 -0.017 0.000 1.259 106 A CA 0.001 52.104 52.037 0.110 0.000 0.870 106 A CB -0.699 18.381 19.000 0.132 0.000 0.927 106 A HN 0.117 nan 8.150 nan 0.000 0.497 107 A N 1.336 124.084 122.820 -0.120 0.000 2.511 107 A HA 0.493 4.813 4.320 0.000 0.000 0.242 107 A C -2.304 175.075 177.584 -0.341 0.000 1.069 107 A CA -0.880 50.837 52.037 -0.534 0.000 0.763 107 A CB -0.377 18.397 19.000 -0.377 0.000 1.001 107 A HN 0.276 nan 8.150 nan 0.000 0.498 108 P HA 0.030 nan 4.420 nan 0.000 0.266 108 P C 1.166 178.391 177.300 -0.125 0.000 1.195 108 P CA -0.259 62.745 63.100 -0.161 0.000 0.768 108 P CB 0.439 32.083 31.700 -0.095 0.000 0.838 109 L N 2.080 123.258 121.223 -0.074 0.000 2.021 109 L HA -0.255 4.086 4.340 0.000 0.000 0.215 109 L C 1.776 178.579 176.870 -0.111 0.000 1.074 109 L CA 1.999 56.793 54.840 -0.077 0.000 0.760 109 L CB -0.325 41.714 42.059 -0.033 0.000 0.889 109 L HN 0.479 nan 8.230 nan 0.000 0.433 110 K N -0.615 119.760 120.400 -0.042 0.000 2.444 110 K HA 0.019 4.339 4.320 0.000 0.000 0.193 110 K C 0.122 176.716 176.600 -0.009 0.000 1.024 110 K CA 0.283 56.575 56.287 0.008 0.000 1.077 110 K CB 0.295 32.913 32.500 0.196 0.000 0.833 110 K HN 0.322 nan 8.250 nan 0.000 0.517 111 E N -0.225 119.941 120.200 -0.056 0.000 3.846 111 E HA 0.175 4.525 4.350 0.000 0.000 0.216 111 E C 0.166 176.702 176.600 -0.106 0.000 1.092 111 E CA -0.234 56.144 56.400 -0.037 0.000 1.370 111 E CB 1.269 30.984 29.700 0.024 0.000 1.227 111 E HN 0.334 nan 8.360 nan 0.000 0.442 112 G N 0.238 108.967 108.800 -0.118 0.000 2.316 112 G HA2 -0.274 3.686 3.960 0.000 0.000 0.203 112 G HA3 -0.274 3.686 3.960 0.000 0.000 0.203 112 G C 1.089 175.990 174.900 0.002 0.000 0.999 112 G CA -0.145 44.927 45.100 -0.046 0.000 0.649 112 G HN 0.493 nan 8.290 nan 0.000 0.489 113 G N 0.794 109.541 108.800 -0.090 0.000 2.421 113 G HA2 0.061 4.021 3.960 0.000 0.000 0.216 113 G HA3 0.061 4.021 3.960 0.000 0.000 0.216 113 G C 1.755 176.596 174.900 -0.098 0.000 1.171 113 G CA 1.645 46.688 45.100 -0.095 0.000 0.775 113 G HN 0.912 nan 8.290 nan 0.000 0.543 114 L N -0.761 120.386 121.223 -0.125 0.000 2.141 114 L HA 0.113 4.453 4.340 0.000 0.000 0.209 114 L C 2.394 179.222 176.870 -0.071 0.000 1.094 114 L CA 1.347 56.109 54.840 -0.130 0.000 0.763 114 L CB -0.390 41.537 42.059 -0.220 0.000 0.908 114 L HN 0.486 nan 8.230 nan 0.000 0.437 115 W N -0.272 120.911 121.300 -0.195 0.000 2.358 115 W HA -0.222 4.438 4.660 0.000 0.000 0.303 115 W C 2.148 178.640 176.519 -0.044 0.000 1.208 115 W CA 1.814 59.129 57.345 -0.050 0.000 1.274 115 W CB -0.153 29.265 29.460 -0.069 0.000 1.138 115 W HN 0.081 nan 8.180 nan 0.000 0.515 116 L N 0.189 121.440 121.223 0.047 0.000 2.042 116 L HA -0.261 4.079 4.340 0.000 0.000 0.210 116 L C 2.417 179.057 176.870 -0.384 0.000 1.076 116 L CA 1.564 56.238 54.840 -0.276 0.000 0.749 116 L CB -0.832 41.061 42.059 -0.277 0.000 0.893 116 L HN 0.044 nan 8.230 nan 0.000 0.432 117 I N -0.370 120.025 120.570 -0.291 0.000 2.179 117 I HA -0.290 3.880 4.170 0.000 0.000 0.242 117 I C 2.800 178.783 176.117 -0.223 0.000 1.088 117 I CA 1.213 62.326 61.300 -0.311 0.000 1.357 117 I CB -0.478 37.402 38.000 -0.201 0.000 1.051 117 I HN 0.199 nan 8.210 nan 0.000 0.409 118 A N 0.110 122.865 122.820 -0.107 0.000 1.908 118 A HA -0.218 4.102 4.320 0.000 0.000 0.218 118 A C 2.482 180.088 177.584 0.036 0.000 1.181 118 A CA 2.342 54.388 52.037 0.015 0.000 0.627 118 A CB -0.805 18.067 19.000 -0.213 0.000 0.818 118 A HN 0.404 nan 8.150 nan 0.000 0.445 119 S N -1.137 114.411 115.700 -0.254 0.000 2.368 119 S HA -0.135 4.335 4.470 0.000 0.000 0.225 119 S C 1.648 176.182 174.600 -0.110 0.000 1.030 119 S CA 1.397 59.431 58.200 -0.278 0.000 0.999 119 S CB -0.548 62.155 63.200 -0.829 0.000 0.844 119 S HN 0.641 nan 8.310 nan 0.000 0.459 120 F N 1.901 121.659 119.950 -0.319 0.000 2.095 120 F HA -0.169 4.358 4.527 0.000 0.000 0.298 120 F C 1.693 177.450 175.800 -0.073 0.000 1.104 120 F CA 1.400 59.233 58.000 -0.279 0.000 1.232 120 F CB -0.439 38.264 39.000 -0.496 0.000 0.987 120 F HN 0.108 nan 8.300 nan 0.000 0.475 121 F N -0.047 119.910 119.950 0.013 0.000 2.171 121 F HA -0.206 4.321 4.527 0.000 0.000 0.300 121 F C 2.650 178.373 175.800 -0.128 0.000 1.090 121 F CA 1.571 59.538 58.000 -0.055 0.000 1.293 121 F CB -1.111 37.928 39.000 0.064 0.000 1.013 121 F HN 0.053 nan 8.300 nan 0.000 0.486 122 M N -1.367 118.238 119.600 0.009 0.000 2.117 122 M HA -0.230 4.250 4.480 0.000 0.000 0.262 122 M C 2.314 178.601 176.300 -0.022 0.000 1.065 122 M CA 1.647 56.755 55.300 -0.320 0.000 1.114 122 M CB -0.417 31.861 32.600 -0.537 0.000 1.361 122 M HN 0.199 nan 8.290 nan 0.000 0.408 123 F N 0.051 120.013 119.950 0.021 0.000 2.095 123 F HA -0.227 4.300 4.527 0.000 0.000 0.298 123 F C 2.189 178.068 175.800 0.132 0.000 1.104 123 F CA 2.040 60.165 58.000 0.208 0.000 1.232 123 F CB -0.451 38.548 39.000 -0.001 0.000 0.987 123 F HN 0.059 nan 8.300 nan 0.000 0.475 124 V N 0.371 120.341 119.914 0.094 0.000 2.667 124 V HA -0.031 4.089 4.120 0.000 0.000 0.252 124 V C 2.224 178.342 176.094 0.041 0.000 1.065 124 V CA 1.585 63.911 62.300 0.043 0.000 1.083 124 V CB -1.004 30.786 31.823 -0.055 0.000 0.692 124 V HN 0.395 nan 8.190 nan 0.000 0.468 125 A N 0.290 123.097 122.820 -0.022 0.000 1.865 125 A HA -0.131 4.189 4.320 0.000 0.000 0.217 125 A C 2.374 179.916 177.584 -0.069 0.000 1.191 125 A CA 2.565 54.571 52.037 -0.053 0.000 0.623 125 A CB -1.000 17.893 19.000 -0.178 0.000 0.826 125 A HN 0.528 nan 8.150 nan 0.000 0.444 126 V N -2.589 117.157 119.914 -0.281 0.000 2.379 126 V HA -0.246 3.875 4.120 0.000 0.000 0.245 126 V C 2.239 178.174 176.094 -0.264 0.000 1.044 126 V CA 1.631 63.658 62.300 -0.456 0.000 1.036 126 V CB -0.971 30.089 31.823 -1.271 0.000 0.664 126 V HN 0.780 nan 8.190 nan 0.000 0.453 127 W N 0.781 121.935 121.300 -0.243 0.000 2.402 127 W HA -0.154 4.506 4.660 0.000 0.000 0.286 127 W C 2.894 179.464 176.519 0.085 0.000 1.221 127 W CA 1.293 58.549 57.345 -0.149 0.000 1.257 127 W CB -0.253 28.989 29.460 -0.362 0.000 1.120 127 W HN 0.360 nan 8.180 nan 0.000 0.551 128 S N -1.152 114.721 115.700 0.289 0.000 2.406 128 S HA -0.216 4.254 4.470 0.000 0.000 0.228 128 S C 1.674 176.423 174.600 0.248 0.000 1.020 128 S CA 0.701 59.048 58.200 0.245 0.000 0.965 128 S CB -1.204 62.111 63.200 0.192 0.000 0.798 128 S HN 0.463 nan 8.310 nan 0.000 0.488 129 W N 1.008 122.370 121.300 0.104 0.000 2.358 129 W HA -0.119 4.541 4.660 0.000 0.000 0.303 129 W C 1.952 178.622 176.519 0.253 0.000 1.208 129 W CA 1.116 58.531 57.345 0.116 0.000 1.274 129 W CB -0.498 29.006 29.460 0.073 0.000 1.138 129 W HN 0.494 nan 8.180 nan 0.000 0.515 130 W N 1.532 123.031 121.300 0.332 0.000 2.333 130 W HA -0.172 4.488 4.660 0.000 0.000 0.316 130 W C 2.513 179.112 176.519 0.135 0.000 1.215 130 W CA 3.513 61.001 57.345 0.238 0.000 1.278 130 W CB -0.954 28.455 29.460 -0.085 0.000 1.154 130 W HN -0.094 nan 8.180 nan 0.000 0.486 131 G N 0.330 109.210 108.800 0.132 0.000 2.513 131 G HA2 -0.399 3.561 3.960 0.000 0.000 0.219 131 G HA3 -0.399 3.561 3.960 0.000 0.000 0.219 131 G C 1.603 176.345 174.900 -0.262 0.000 1.160 131 G CA 1.371 46.402 45.100 -0.115 0.000 0.767 131 G HN 0.359 nan 8.290 nan 0.000 0.571 132 R N 0.271 120.611 120.500 -0.266 0.000 2.096 132 R HA -0.154 4.186 4.340 0.000 0.000 0.240 132 R C 2.962 178.975 176.300 -0.478 0.000 1.139 132 R CA 2.387 58.237 56.100 -0.417 0.000 0.952 132 R CB -0.718 29.181 30.300 -0.668 0.000 0.854 132 R HN 0.506 nan 8.270 nan 0.000 0.436 133 T N -2.129 112.127 114.554 -0.497 0.000 2.833 133 T HA -0.208 4.142 4.350 0.000 0.000 0.269 133 T C 1.779 176.210 174.700 -0.448 0.000 1.054 133 T CA 1.272 63.114 62.100 -0.431 0.000 1.135 133 T CB -0.511 68.188 68.868 -0.282 0.000 0.869 133 T HN 0.429 nan 8.240 nan 0.000 0.466 134 Y N 1.833 121.735 120.300 -0.664 0.000 2.153 134 Y HA 0.214 4.764 4.550 0.000 0.000 0.289 134 Y C 2.153 177.774 175.900 -0.465 0.000 1.127 134 Y CA 0.977 58.683 58.100 -0.657 0.000 1.131 134 Y CB -0.358 37.587 38.460 -0.859 0.000 0.995 134 Y HN 0.127 nan 8.280 nan 0.000 0.505 135 L N -0.289 120.828 121.223 -0.178 0.000 2.131 135 L HA -0.200 4.140 4.340 0.000 0.000 0.210 135 L C 2.427 179.098 176.870 -0.331 0.000 1.092 135 L CA 0.893 55.617 54.840 -0.195 0.000 0.759 135 L CB -0.469 41.495 42.059 -0.160 0.000 0.903 135 L HN 0.097 nan 8.230 nan 0.000 0.435 136 R N 0.154 120.418 120.500 -0.393 0.000 2.115 136 R HA 0.004 4.344 4.340 0.000 0.000 0.226 136 R C 2.271 178.355 176.300 -0.359 0.000 1.100 136 R CA 1.276 57.125 56.100 -0.418 0.000 0.980 136 R CB -0.815 29.243 30.300 -0.405 0.000 0.875 136 R HN 0.347 nan 8.270 nan 0.000 0.445 137 A N 0.883 123.470 122.820 -0.388 0.000 1.872 137 A HA -0.180 4.140 4.320 0.000 0.000 0.214 137 A C 2.196 179.563 177.584 -0.361 0.000 1.187 137 A CA 1.322 53.133 52.037 -0.377 0.000 0.614 137 A CB -0.466 18.251 19.000 -0.471 0.000 0.826 137 A HN 0.370 nan 8.150 nan 0.000 0.442 138 Q N -0.209 119.339 119.800 -0.419 0.000 2.061 138 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 138 Q C 2.055 177.922 176.000 -0.222 0.000 0.984 138 Q CA 2.016 57.627 55.803 -0.320 0.000 0.846 138 Q CB -0.412 28.161 28.738 -0.275 0.000 0.902 138 Q HN 0.562 nan 8.270 nan 0.000 0.421 139 A N 0.214 122.894 122.820 -0.232 0.000 2.125 139 A HA -0.086 4.234 4.320 0.000 0.000 0.219 139 A C 1.709 179.193 177.584 -0.168 0.000 1.156 139 A CA 1.013 52.933 52.037 -0.195 0.000 0.671 139 A CB -0.271 18.577 19.000 -0.253 0.000 0.794 139 A HN 0.479 nan 8.150 nan 0.000 0.459 140 L N -1.733 119.379 121.223 -0.184 0.000 2.693 140 L HA 0.279 4.619 4.340 0.000 0.000 0.235 140 L C 1.517 178.308 176.870 -0.132 0.000 1.127 140 L CA 0.415 55.165 54.840 -0.149 0.000 0.914 140 L CB 0.146 42.110 42.059 -0.158 0.000 1.193 140 L HN 0.495 nan 8.230 nan 0.000 0.502 141 G N 0.585 109.300 108.800 -0.142 0.000 2.153 141 G HA2 -0.317 3.643 3.960 0.000 0.000 0.252 141 G HA3 -0.317 3.643 3.960 0.000 0.000 0.252 141 G C 0.245 175.066 174.900 -0.132 0.000 0.994 141 G CA 0.238 45.265 45.100 -0.123 0.000 0.698 141 G HN 0.268 nan 8.290 nan 0.000 0.521 142 M N 0.435 119.932 119.600 -0.171 0.000 2.291 142 M HA 0.518 4.998 4.480 0.000 0.000 0.324 142 M C 1.439 177.627 176.300 -0.187 0.000 1.148 142 M CA 0.196 55.397 55.300 -0.164 0.000 1.104 142 M CB 0.838 33.330 32.600 -0.180 0.000 1.483 142 M HN 0.230 nan 8.290 nan 0.000 0.467 143 G N 0.927 109.667 108.800 -0.100 0.000 2.664 143 G HA2 0.096 4.056 3.960 0.000 0.000 0.242 143 G HA3 0.096 4.056 3.960 0.000 0.000 0.242 143 G C 0.207 174.964 174.900 -0.239 0.000 1.225 143 G CA -0.536 44.527 45.100 -0.062 0.000 0.849 143 G HN 0.653 nan 8.290 nan 0.000 0.581 144 K N 0.061 120.143 120.400 -0.530 0.000 2.500 144 K HA 0.109 4.429 4.320 0.000 0.000 0.206 144 K C 1.324 177.375 176.600 -0.916 0.000 1.034 144 K CA -0.147 55.574 56.287 -0.943 0.000 1.179 144 K CB -0.035 31.569 32.500 -1.492 0.000 0.884 144 K HN 0.611 nan 8.250 nan 0.000 0.493 145 H N 0.509 119.322 119.070 -0.429 0.000 2.353 145 H HA -0.107 4.449 4.556 0.000 0.000 0.298 145 H C 1.755 177.008 175.328 -0.126 0.000 1.103 145 H CA 2.148 58.085 56.048 -0.185 0.000 1.293 145 H CB -0.288 29.409 29.762 -0.109 0.000 1.372 145 H HN 0.091 nan 8.280 nan 0.000 0.501 146 T N 0.184 114.697 114.554 -0.069 0.000 2.674 146 T HA -0.171 4.179 4.350 0.000 0.000 0.265 146 T C 2.395 177.116 174.700 0.035 0.000 1.039 146 T CA 1.433 63.504 62.100 -0.048 0.000 1.150 146 T CB -0.586 68.208 68.868 -0.124 0.000 0.864 146 T HN 0.535 nan 8.240 nan 0.000 0.427 147 A N 0.308 123.064 122.820 -0.106 0.000 1.972 147 A HA -0.087 4.233 4.320 0.000 0.000 0.219 147 A C 2.179 180.117 177.584 0.590 0.000 1.169 147 A CA 1.215 53.289 52.037 0.063 0.000 0.635 147 A CB -1.105 17.663 19.000 -0.385 0.000 0.810 147 A HN 0.748 nan 8.150 nan 0.000 0.446 148 W N -0.564 120.860 121.300 0.206 0.000 2.379 148 W HA -0.057 4.603 4.660 0.000 0.000 0.307 148 W C 2.813 179.380 176.519 0.079 0.000 1.200 148 W CA 0.464 57.889 57.345 0.134 0.000 1.297 148 W CB -0.135 29.307 29.460 -0.030 0.000 1.140 148 W HN 0.408 nan 8.180 nan 0.000 0.507 149 A N 0.365 123.350 122.820 0.275 0.000 1.902 149 A HA -0.260 4.060 4.320 0.000 0.000 0.217 149 A C 1.745 179.482 177.584 0.256 0.000 1.181 149 A CA 1.470 53.595 52.037 0.147 0.000 0.623 149 A CB -1.287 17.752 19.000 0.065 0.000 0.818 149 A HN 0.340 nan 8.150 nan 0.000 0.443 150 F N 0.309 120.350 119.950 0.151 0.000 2.120 150 F HA -0.167 4.360 4.527 0.000 0.000 0.300 150 F C 1.806 177.686 175.800 0.134 0.000 1.095 150 F CA 1.306 59.399 58.000 0.155 0.000 1.249 150 F CB -0.773 38.370 39.000 0.237 0.000 0.995 150 F HN 0.165 nan 8.300 nan 0.000 0.480 151 L N -0.260 121.091 121.223 0.214 0.000 2.129 151 L HA -0.221 4.119 4.340 0.000 0.000 0.212 151 L C 2.822 179.704 176.870 0.020 0.000 1.087 151 L CA 2.022 56.839 54.840 -0.039 0.000 0.757 151 L CB -1.426 40.688 42.059 0.092 0.000 0.896 151 L HN 0.274 nan 8.230 nan 0.000 0.434 152 S N -1.440 114.317 115.700 0.094 0.000 2.368 152 S HA -0.123 4.347 4.470 0.000 0.000 0.224 152 S C 2.157 176.876 174.600 0.198 0.000 1.029 152 S CA 1.039 59.319 58.200 0.134 0.000 0.988 152 S CB -0.170 63.077 63.200 0.079 0.000 0.838 152 S HN 0.524 nan 8.310 nan 0.000 0.462 153 A N 1.379 124.299 122.820 0.166 0.000 1.902 153 A HA 0.022 4.342 4.320 0.000 0.000 0.217 153 A C 2.090 179.736 177.584 0.103 0.000 1.181 153 A CA 1.418 53.550 52.037 0.158 0.000 0.623 153 A CB -0.760 18.365 19.000 0.208 0.000 0.818 153 A HN 0.615 nan 8.150 nan 0.000 0.443 154 I N -1.339 119.196 120.570 -0.059 0.000 2.286 154 I HA -0.281 3.889 4.170 0.000 0.000 0.248 154 I C 2.492 178.706 176.117 0.162 0.000 1.115 154 I CA 1.344 62.563 61.300 -0.135 0.000 1.392 154 I CB -0.334 37.235 38.000 -0.719 0.000 1.065 154 I HN 0.769 nan 8.210 nan 0.000 0.418 155 W N 1.762 123.046 121.300 -0.026 0.000 2.318 155 W HA -0.312 4.348 4.660 0.000 0.000 0.313 155 W C 2.312 178.871 176.519 0.067 0.000 1.221 155 W CA 1.366 58.728 57.345 0.028 0.000 1.266 155 W CB -0.321 29.143 29.460 0.007 0.000 1.150 155 W HN 0.157 nan 8.180 nan 0.000 0.496 156 L N 1.071 122.269 121.223 -0.041 0.000 2.017 156 L HA -0.149 4.191 4.340 0.000 0.000 0.208 156 L C 2.353 179.184 176.870 -0.065 0.000 1.073 156 L CA 2.819 57.559 54.840 -0.166 0.000 0.745 156 L CB -1.795 40.268 42.059 0.006 0.000 0.894 156 L HN 0.246 nan 8.230 nan 0.000 0.432 157 W N -0.079 121.145 121.300 -0.126 0.000 2.318 157 W HA -0.285 4.375 4.660 0.000 0.000 0.313 157 W C 2.263 178.744 176.519 -0.064 0.000 1.221 157 W CA 2.209 59.492 57.345 -0.103 0.000 1.266 157 W CB -0.276 29.100 29.460 -0.141 0.000 1.150 157 W HN 0.120 nan 8.180 nan 0.000 0.496 158 M N 0.147 119.612 119.600 -0.225 0.000 2.086 158 M HA -0.190 4.290 4.480 0.000 0.000 0.261 158 M C 1.962 178.156 176.300 -0.177 0.000 1.067 158 M CA 1.603 56.712 55.300 -0.318 0.000 1.116 158 M CB -1.688 30.914 32.600 0.004 0.000 1.348 158 M HN 0.009 nan 8.290 nan 0.000 0.407 159 V N 0.811 120.548 119.914 -0.296 0.000 2.255 159 V HA -0.290 3.830 4.120 0.000 0.000 0.247 159 V C 2.562 178.568 176.094 -0.146 0.000 1.051 159 V CA 1.653 63.760 62.300 -0.322 0.000 1.018 159 V CB -0.773 30.680 31.823 -0.617 0.000 0.641 159 V HN 0.397 nan 8.190 nan 0.000 0.445 160 L N 0.272 121.406 121.223 -0.148 0.000 1.989 160 L HA -0.135 4.205 4.340 0.000 0.000 0.211 160 L C 2.356 179.212 176.870 -0.024 0.000 1.071 160 L CA 2.047 56.839 54.840 -0.080 0.000 0.749 160 L CB -0.855 41.125 42.059 -0.131 0.000 0.890 160 L HN 0.495 nan 8.230 nan 0.000 0.431 161 G N -3.072 105.689 108.800 -0.064 0.000 3.020 161 G HA2 -0.020 3.940 3.960 0.000 0.000 0.217 161 G HA3 -0.020 3.940 3.960 0.000 0.000 0.217 161 G C 0.863 175.965 174.900 0.336 0.000 1.144 161 G CA 0.003 45.160 45.100 0.095 0.000 0.760 161 G HN 0.288 nan 8.290 nan 0.000 0.548 162 F N -0.576 119.414 119.950 0.066 0.000 1.868 162 F HA 0.356 4.883 4.527 0.000 0.000 0.245 162 F C 1.980 177.850 175.800 0.117 0.000 1.114 162 F CA -0.041 58.075 58.000 0.194 0.000 1.261 162 F CB -0.007 39.047 39.000 0.089 0.000 1.620 162 F HN -0.040 nan 8.300 nan 0.000 0.567 163 I N 0.919 121.583 120.570 0.156 0.000 2.163 163 I HA -0.179 3.991 4.170 0.000 0.000 0.240 163 I C 2.535 178.618 176.117 -0.056 0.000 1.081 163 I CA 1.462 62.779 61.300 0.029 0.000 1.353 163 I CB -0.520 37.531 38.000 0.086 0.000 1.054 163 I HN 0.131 nan 8.210 nan 0.000 0.407 164 R N 1.037 121.524 120.500 -0.022 0.000 2.073 164 R HA -0.148 4.192 4.340 0.000 0.000 0.234 164 R C -0.420 175.867 176.300 -0.022 0.000 1.134 164 R CA 1.853 57.954 56.100 0.002 0.000 0.952 164 R CB -1.168 29.172 30.300 0.067 0.000 0.850 164 R HN 0.205 nan 8.270 nan 0.000 0.433 165 P HA -0.156 nan 4.420 nan 0.000 0.215 165 P C 1.148 178.239 177.300 -0.348 0.000 1.153 165 P CA 1.421 64.457 63.100 -0.106 0.000 0.853 165 P CB -0.058 31.667 31.700 0.042 0.000 0.788 166 I N -1.511 118.790 120.570 -0.448 0.000 2.226 166 I HA -0.218 3.953 4.170 0.000 0.000 0.245 166 I C 2.229 178.165 176.117 -0.302 0.000 1.100 166 I CA 1.329 62.322 61.300 -0.512 0.000 1.374 166 I CB -0.569 37.107 38.000 -0.540 0.000 1.057 166 I HN -0.109 nan 8.210 nan 0.000 0.413 167 L N -0.499 120.608 121.223 -0.193 0.000 2.217 167 L HA -0.155 4.185 4.340 0.000 0.000 0.211 167 L C 2.415 179.221 176.870 -0.107 0.000 1.107 167 L CA 0.727 55.495 54.840 -0.119 0.000 0.783 167 L CB -0.332 41.690 42.059 -0.063 0.000 0.919 167 L HN 0.287 nan 8.230 nan 0.000 0.442 168 M N -0.860 118.674 119.600 -0.109 0.000 2.492 168 M HA 0.108 4.588 4.480 0.000 0.000 0.262 168 M C 1.653 177.875 176.300 -0.129 0.000 1.090 168 M CA 1.095 56.343 55.300 -0.087 0.000 1.110 168 M CB -0.841 31.734 32.600 -0.041 0.000 1.407 168 M HN 0.405 nan 8.290 nan 0.000 0.470 169 G N 1.415 110.093 108.800 -0.202 0.000 2.141 169 G HA2 -0.202 3.758 3.960 0.000 0.000 0.242 169 G HA3 -0.202 3.758 3.960 0.000 0.000 0.242 169 G C 0.154 174.898 174.900 -0.260 0.000 0.982 169 G CA 0.476 45.440 45.100 -0.227 0.000 0.662 169 G HN 0.699 nan 8.290 nan 0.000 0.527 170 S N -2.213 113.313 115.700 -0.291 0.000 2.537 170 S HA 0.518 4.988 4.470 0.000 0.000 0.271 170 S C 0.360 174.803 174.600 -0.261 0.000 1.148 170 S CA -0.103 57.933 58.200 -0.273 0.000 0.868 170 S CB 0.545 63.685 63.200 -0.100 0.000 1.115 170 S HN 0.431 nan 8.310 nan 0.000 0.461 171 W N 1.683 122.976 121.300 -0.013 0.000 2.421 171 W HA -0.048 4.612 4.660 0.000 0.000 0.270 171 W C 2.674 179.066 176.519 -0.210 0.000 1.233 171 W CA 0.809 58.114 57.345 -0.067 0.000 1.226 171 W CB -0.116 29.338 29.460 -0.008 0.000 1.121 171 W HN 0.945 nan 8.180 nan 0.000 0.579 172 S N 0.071 115.806 115.700 0.058 0.000 2.440 172 S HA -0.202 4.268 4.470 0.000 0.000 0.238 172 S C 1.483 176.122 174.600 0.064 0.000 1.010 172 S CA 1.252 59.454 58.200 0.003 0.000 0.972 172 S CB -0.303 62.916 63.200 0.032 0.000 0.774 172 S HN 0.264 nan 8.310 nan 0.000 0.501 173 E N 1.811 122.077 120.200 0.110 0.000 2.274 173 E HA 0.219 4.569 4.350 0.000 0.000 0.194 173 E C 1.243 178.073 176.600 0.384 0.000 0.996 173 E CA 0.682 57.231 56.400 0.249 0.000 0.840 173 E CB -0.501 29.311 29.700 0.186 0.000 0.772 173 E HN 0.745 nan 8.360 nan 0.000 0.491 174 A N 1.091 124.011 122.820 0.167 0.000 2.310 174 A HA 0.271 4.591 4.320 0.000 0.000 0.260 174 A C 0.366 177.816 177.584 -0.223 0.000 1.112 174 A CA -0.398 51.686 52.037 0.079 0.000 0.804 174 A CB 0.545 19.667 19.000 0.202 0.000 1.081 174 A HN -0.037 nan 8.150 nan 0.000 0.499 175 V N 2.383 122.024 119.914 -0.455 0.000 2.509 175 V HA 0.345 4.465 4.120 0.000 0.000 0.284 175 V C -1.919 173.940 176.094 -0.393 0.000 1.047 175 V CA -1.134 60.632 62.300 -0.889 0.000 0.952 175 V CB 1.024 32.316 31.823 -0.885 0.000 0.988 175 V HN 0.845 nan 8.190 nan 0.000 0.469 176 P HA 0.241 nan 4.420 nan 0.000 0.277 176 P C -1.295 175.965 177.300 -0.067 0.000 1.240 176 P CA -0.448 62.589 63.100 -0.106 0.000 0.798 176 P CB 0.484 32.216 31.700 0.054 0.000 0.979 177 Y N 0.779 121.298 120.300 0.365 0.000 2.627 177 Y HA 0.555 5.105 4.550 0.000 0.000 0.347 177 Y C 1.416 177.534 175.900 0.364 0.000 1.099 177 Y CA 0.108 58.371 58.100 0.272 0.000 1.408 177 Y CB 0.108 38.654 38.460 0.143 0.000 1.247 177 Y HN 0.495 nan 8.280 nan 0.000 0.506 178 G N 1.452 110.504 108.800 0.421 0.000 2.632 178 G HA2 0.333 4.293 3.960 0.000 0.000 0.292 178 G HA3 0.333 4.293 3.960 0.000 0.000 0.292 178 G C -0.030 175.039 174.900 0.281 0.000 1.465 178 G CA -0.776 44.577 45.100 0.422 0.000 0.824 178 G HN 0.248 nan 8.290 nan 0.000 0.509 179 I N 0.441 121.107 120.570 0.160 0.000 2.058 179 I HA -0.051 4.119 4.170 0.000 0.000 0.235 179 I C 2.544 178.821 176.117 0.266 0.000 1.053 179 I CA 1.512 62.845 61.300 0.055 0.000 1.313 179 I CB -1.019 36.748 38.000 -0.388 0.000 1.039 179 I HN 0.437 nan 8.210 nan 0.000 0.396 180 F N 1.739 121.691 119.950 0.003 0.000 2.206 180 F HA -0.117 4.410 4.527 0.000 0.000 0.298 180 F C 2.986 178.819 175.800 0.055 0.000 1.090 180 F CA 1.125 59.097 58.000 -0.047 0.000 1.323 180 F CB -1.690 37.180 39.000 -0.217 0.000 1.028 180 F HN 0.189 nan 8.300 nan 0.000 0.492 181 S N -0.162 115.724 115.700 0.310 0.000 2.399 181 S HA -0.259 4.211 4.470 0.000 0.000 0.231 181 S C 2.106 176.901 174.600 0.325 0.000 1.022 181 S CA 1.464 59.833 58.200 0.282 0.000 0.983 181 S CB -1.285 62.077 63.200 0.270 0.000 0.803 181 S HN 0.648 nan 8.310 nan 0.000 0.480 182 H N 2.552 121.751 119.070 0.215 0.000 2.423 182 H HA 0.079 4.635 4.556 0.000 0.000 0.297 182 H C 1.912 177.401 175.328 0.269 0.000 1.075 182 H CA 1.413 57.586 56.048 0.208 0.000 1.342 182 H CB -0.578 29.266 29.762 0.137 0.000 1.395 182 H HN 0.454 nan 8.280 nan 0.000 0.530 183 L N 0.881 122.055 121.223 -0.082 0.000 2.027 183 L HA -0.149 4.191 4.340 0.000 0.000 0.206 183 L C 2.400 179.305 176.870 0.057 0.000 1.074 183 L CA 1.433 56.218 54.840 -0.091 0.000 0.745 183 L CB -0.462 41.551 42.059 -0.076 0.000 0.898 183 L HN 0.165 nan 8.230 nan 0.000 0.433 184 D N -0.503 119.965 120.400 0.112 0.000 2.144 184 D HA -0.245 4.395 4.640 0.000 0.000 0.199 184 D C 1.804 178.199 176.300 0.158 0.000 0.984 184 D CA 1.231 55.294 54.000 0.106 0.000 0.834 184 D CB -0.338 40.531 40.800 0.116 0.000 0.955 184 D HN 0.463 nan 8.370 nan 0.000 0.465 185 W N 1.799 123.140 121.300 0.069 0.000 2.363 185 W HA -0.204 4.456 4.660 0.000 0.000 0.296 185 W C 2.103 178.695 176.519 0.122 0.000 1.212 185 W CA 1.936 59.343 57.345 0.103 0.000 1.260 185 W CB -0.189 29.346 29.460 0.125 0.000 1.131 185 W HN -0.160 nan 8.180 nan 0.000 0.530 186 T N 0.025 114.772 114.554 0.321 0.000 2.732 186 T HA -0.254 4.096 4.350 0.000 0.000 0.261 186 T C 1.688 176.385 174.700 -0.006 0.000 1.040 186 T CA 1.518 63.719 62.100 0.169 0.000 1.145 186 T CB -0.817 68.155 68.868 0.173 0.000 0.866 186 T HN 0.381 nan 8.240 nan 0.000 0.427 187 N N 1.133 119.829 118.700 -0.007 0.000 2.037 187 N HA -0.259 4.481 4.740 0.000 0.000 0.196 187 N C 1.924 177.389 175.510 -0.076 0.000 1.034 187 N CA 1.902 54.924 53.050 -0.047 0.000 0.861 187 N CB -0.215 38.249 38.487 -0.038 0.000 1.039 187 N HN 0.279 nan 8.380 nan 0.000 0.427 188 N N -0.253 118.389 118.700 -0.097 0.000 2.142 188 N HA -0.152 4.588 4.740 0.000 0.000 0.186 188 N C 1.681 177.067 175.510 -0.206 0.000 1.023 188 N CA 0.893 53.856 53.050 -0.145 0.000 0.852 188 N CB -0.421 37.980 38.487 -0.143 0.000 0.998 188 N HN 0.269 nan 8.380 nan 0.000 0.424 189 F N 0.697 120.366 119.950 -0.467 0.000 2.091 189 F HA -0.209 4.318 4.527 0.000 0.000 0.299 189 F C 2.717 178.471 175.800 -0.075 0.000 1.103 189 F CA 1.811 59.564 58.000 -0.411 0.000 1.228 189 F CB -0.931 37.580 39.000 -0.814 0.000 0.984 189 F HN 0.092 nan 8.300 nan 0.000 0.477 190 S N -0.111 115.653 115.700 0.107 0.000 2.355 190 S HA -0.141 4.329 4.470 0.000 0.000 0.222 190 S C 2.053 176.643 174.600 -0.017 0.000 1.031 190 S CA 1.230 59.459 58.200 0.048 0.000 0.993 190 S CB -0.558 62.583 63.200 -0.098 0.000 0.859 190 S HN 0.253 nan 8.310 nan 0.000 0.453 191 L N 1.696 122.873 121.223 -0.076 0.000 2.013 191 L HA -0.032 4.308 4.340 0.000 0.000 0.212 191 L C 2.559 179.354 176.870 -0.125 0.000 1.073 191 L CA 1.457 56.245 54.840 -0.087 0.000 0.753 191 L CB -1.447 40.554 42.059 -0.097 0.000 0.890 191 L HN 0.236 nan 8.230 nan 0.000 0.432 192 V N -0.962 118.814 119.914 -0.230 0.000 2.809 192 V HA -0.199 3.921 4.120 0.000 0.000 0.256 192 V C 1.758 177.545 176.094 -0.512 0.000 1.080 192 V CA 1.106 63.172 62.300 -0.391 0.000 1.102 192 V CB -0.669 30.841 31.823 -0.521 0.000 0.705 192 V HN 0.529 nan 8.190 nan 0.000 0.475 193 H N -0.756 118.193 119.070 -0.202 0.000 2.505 193 H HA 0.334 4.890 4.556 0.000 0.000 0.286 193 H C 1.698 177.073 175.328 0.077 0.000 1.072 193 H CA 0.756 56.734 56.048 -0.116 0.000 1.141 193 H CB 0.637 30.325 29.762 -0.123 0.000 1.550 193 H HN 0.443 nan 8.280 nan 0.000 0.547 194 G N 2.033 110.919 108.800 0.144 0.000 2.132 194 G HA2 -0.295 3.665 3.960 0.000 0.000 0.228 194 G HA3 -0.295 3.665 3.960 0.000 0.000 0.228 194 G C -0.208 174.912 174.900 0.367 0.000 1.000 194 G CA 0.120 45.354 45.100 0.224 0.000 0.693 194 G HN 0.533 nan 8.290 nan 0.000 0.515 195 N N -1.537 117.310 118.700 0.244 0.000 3.925 195 N HA -0.130 4.610 4.740 0.000 0.000 0.278 195 N C 0.958 176.546 175.510 0.131 0.000 2.104 195 N CA 0.783 53.912 53.050 0.131 0.000 2.544 195 N CB -1.124 37.469 38.487 0.177 0.000 0.490 195 N HN 0.437 nan 8.380 nan 0.000 0.551 196 L N 2.824 123.973 121.223 -0.125 0.000 2.265 196 L HA -0.101 4.239 4.340 0.000 0.000 0.215 196 L C 1.686 178.437 176.870 -0.200 0.000 1.117 196 L CA 0.808 55.475 54.840 -0.289 0.000 0.782 196 L CB -0.370 41.291 42.059 -0.664 0.000 0.914 196 L HN 0.465 nan 8.230 nan 0.000 0.441 197 F N -0.808 119.010 119.950 -0.219 0.000 2.411 197 F HA -0.220 4.307 4.527 0.000 0.000 0.299 197 F C 1.711 177.378 175.800 -0.223 0.000 1.077 197 F CA 0.786 58.670 58.000 -0.193 0.000 1.439 197 F CB -0.916 37.903 39.000 -0.303 0.000 1.085 197 F HN 0.129 nan 8.300 nan 0.000 0.564 198 Y N -1.269 119.197 120.300 0.278 0.000 2.458 198 Y HA 0.134 4.684 4.550 0.000 0.000 0.256 198 Y C 0.823 176.827 175.900 0.174 0.000 1.159 198 Y CA -0.753 57.528 58.100 0.302 0.000 1.261 198 Y CB -0.646 38.079 38.460 0.442 0.000 1.119 198 Y HN -0.030 nan 8.280 nan 0.000 0.524 199 N N 2.831 121.467 118.700 -0.108 0.000 2.420 199 N HA 0.077 4.817 4.740 0.000 0.000 0.249 199 N C -1.872 173.422 175.510 -0.360 0.000 1.033 199 N CA -1.652 50.889 53.050 -0.848 0.000 0.944 199 N CB 1.225 38.861 38.487 -1.419 0.000 1.113 199 N HN -0.107 nan 8.380 nan 0.000 0.502 200 P HA -0.106 nan 4.420 nan 0.000 0.221 200 P C 0.722 177.864 177.300 -0.263 0.000 1.150 200 P CA 0.964 63.965 63.100 -0.165 0.000 0.800 200 P CB 0.028 31.668 31.700 -0.101 0.000 0.787 201 F N -0.598 119.255 119.950 -0.161 0.000 2.293 201 F HA -0.121 4.406 4.527 0.000 0.000 0.300 201 F C 2.774 178.561 175.800 -0.021 0.000 1.086 201 F CA 1.137 59.099 58.000 -0.062 0.000 1.375 201 F CB -1.189 37.773 39.000 -0.063 0.000 1.045 201 F HN 0.127 nan 8.300 nan 0.000 0.516 202 H N -0.394 118.657 119.070 -0.032 0.000 2.403 202 H HA -0.005 4.551 4.556 0.000 0.000 0.298 202 H C 2.382 177.697 175.328 -0.021 0.000 1.059 202 H CA 1.217 57.252 56.048 -0.022 0.000 1.363 202 H CB -0.244 29.480 29.762 -0.063 0.000 1.410 202 H HN 0.319 nan 8.280 nan 0.000 0.528 203 G N 1.074 109.867 108.800 -0.010 0.000 2.408 203 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 203 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 203 G C 1.961 176.754 174.900 -0.178 0.000 1.150 203 G CA 0.451 45.487 45.100 -0.106 0.000 0.776 203 G HN 0.297 nan 8.290 nan 0.000 0.542 204 L N 0.534 121.687 121.223 -0.117 0.000 1.994 204 L HA -0.104 4.236 4.340 0.000 0.000 0.208 204 L C 3.108 179.955 176.870 -0.039 0.000 1.071 204 L CA 1.418 56.182 54.840 -0.126 0.000 0.745 204 L CB -0.573 41.555 42.059 0.115 0.000 0.892 204 L HN 0.345 nan 8.230 nan 0.000 0.431 205 S N 0.127 115.893 115.700 0.110 0.000 2.374 205 S HA -0.204 4.266 4.470 0.000 0.000 0.227 205 S C 1.959 176.523 174.600 -0.060 0.000 1.037 205 S CA 1.437 59.720 58.200 0.139 0.000 1.024 205 S CB -0.290 62.953 63.200 0.071 0.000 0.861 205 S HN 0.291 nan 8.310 nan 0.000 0.456 206 I N 1.344 121.741 120.570 -0.289 0.000 2.252 206 I HA -0.138 4.032 4.170 0.000 0.000 0.245 206 I C 2.795 178.585 176.117 -0.545 0.000 1.102 206 I CA 1.005 62.000 61.300 -0.509 0.000 1.385 206 I CB -0.570 37.052 38.000 -0.628 0.000 1.064 206 I HN 0.381 nan 8.210 nan 0.000 0.414 207 A N 0.969 123.530 122.820 -0.431 0.000 1.917 207 A HA -0.230 4.090 4.320 0.000 0.000 0.219 207 A C 2.017 179.432 177.584 -0.282 0.000 1.182 207 A CA 1.803 53.605 52.037 -0.391 0.000 0.633 207 A CB -0.954 17.716 19.000 -0.550 0.000 0.819 207 A HN 0.360 nan 8.150 nan 0.000 0.448 208 F N -1.066 118.875 119.950 -0.014 0.000 2.259 208 F HA 0.013 4.540 4.527 0.000 0.000 0.298 208 F C 1.963 177.798 175.800 0.057 0.000 1.088 208 F CA 0.913 58.943 58.000 0.050 0.000 1.358 208 F CB -0.645 38.400 39.000 0.076 0.000 1.040 208 F HN 0.243 nan 8.300 nan 0.000 0.505 209 L N -1.121 120.190 121.223 0.147 0.000 2.044 209 L HA -0.175 4.165 4.340 0.000 0.000 0.205 209 L C 2.276 179.280 176.870 0.223 0.000 1.075 209 L CA 1.710 56.633 54.840 0.138 0.000 0.747 209 L CB -0.933 41.157 42.059 0.052 0.000 0.903 209 L HN 0.006 nan 8.230 nan 0.000 0.435 210 Y N 0.319 120.656 120.300 0.061 0.000 2.165 210 Y HA -0.102 4.448 4.550 0.000 0.000 0.286 210 Y C 2.577 178.513 175.900 0.060 0.000 1.155 210 Y CA 0.836 58.962 58.100 0.044 0.000 1.164 210 Y CB -1.672 36.791 38.460 0.005 0.000 0.978 210 Y HN 0.273 nan 8.280 nan 0.000 0.513 211 G N -1.165 107.773 108.800 0.230 0.000 2.422 211 G HA2 -0.225 3.736 3.960 0.000 0.000 0.218 211 G HA3 -0.225 3.736 3.960 0.000 0.000 0.218 211 G C 1.980 176.986 174.900 0.177 0.000 1.146 211 G CA 1.199 46.405 45.100 0.176 0.000 0.769 211 G HN 0.390 nan 8.290 nan 0.000 0.547 212 S N 0.831 116.653 115.700 0.204 0.000 2.382 212 S HA -0.007 4.463 4.470 0.000 0.000 0.228 212 S C 2.720 177.440 174.600 0.200 0.000 1.027 212 S CA 1.211 59.521 58.200 0.184 0.000 0.991 212 S CB -0.253 63.058 63.200 0.185 0.000 0.823 212 S HN 0.586 nan 8.310 nan 0.000 0.469 213 A N 1.129 124.066 122.820 0.195 0.000 1.930 213 A HA 0.094 4.414 4.320 0.000 0.000 0.215 213 A C 2.052 179.722 177.584 0.143 0.000 1.176 213 A CA 0.915 53.058 52.037 0.178 0.000 0.632 213 A CB -0.583 18.504 19.000 0.144 0.000 0.819 213 A HN 0.417 nan 8.150 nan 0.000 0.445 214 L N -0.511 120.781 121.223 0.116 0.000 2.012 214 L HA -0.132 4.208 4.340 0.000 0.000 0.210 214 L C 2.157 179.061 176.870 0.057 0.000 1.073 214 L CA 2.237 57.120 54.840 0.072 0.000 0.748 214 L CB -0.704 41.386 42.059 0.051 0.000 0.891 214 L HN 0.311 nan 8.230 nan 0.000 0.431 215 L N -1.714 119.545 121.223 0.060 0.000 2.109 215 L HA -0.093 4.247 4.340 0.000 0.000 0.207 215 L C 2.218 179.167 176.870 0.132 0.000 1.086 215 L CA 1.552 56.395 54.840 0.006 0.000 0.760 215 L CB -0.881 41.166 42.059 -0.020 0.000 0.910 215 L HN 0.276 nan 8.230 nan 0.000 0.437 216 F N 0.187 120.163 119.950 0.042 0.000 2.206 216 F HA 0.045 4.572 4.527 0.000 0.000 0.298 216 F C 2.402 178.237 175.800 0.059 0.000 1.090 216 F CA 0.596 58.641 58.000 0.075 0.000 1.323 216 F CB -0.978 38.071 39.000 0.081 0.000 1.028 216 F HN 0.188 nan 8.300 nan 0.000 0.492 217 A N 0.108 123.061 122.820 0.222 0.000 1.883 217 A HA -0.239 4.081 4.320 0.000 0.000 0.217 217 A C 2.333 179.990 177.584 0.122 0.000 1.186 217 A CA 1.964 54.065 52.037 0.106 0.000 0.624 217 A CB -0.751 18.294 19.000 0.075 0.000 0.822 217 A HN 0.371 nan 8.150 nan 0.000 0.444 218 M N -1.912 117.763 119.600 0.126 0.000 2.065 218 M HA -0.198 4.282 4.480 0.000 0.000 0.259 218 M C 2.331 178.740 176.300 0.181 0.000 1.071 218 M CA 2.260 57.644 55.300 0.140 0.000 1.109 218 M CB -0.605 31.901 32.600 -0.157 0.000 1.313 218 M HN 0.713 nan 8.290 nan 0.000 0.408 219 H N -0.174 118.935 119.070 0.064 0.000 2.321 219 H HA -0.050 4.506 4.556 0.000 0.000 0.300 219 H C 1.958 177.369 175.328 0.138 0.000 1.087 219 H CA 2.201 58.293 56.048 0.072 0.000 1.319 219 H CB -0.686 29.087 29.762 0.018 0.000 1.379 219 H HN 0.330 nan 8.280 nan 0.000 0.501 220 G N -0.069 108.810 108.800 0.131 0.000 2.421 220 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 220 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 220 G C 1.916 176.754 174.900 -0.104 0.000 1.171 220 G CA 1.090 46.165 45.100 -0.042 0.000 0.775 220 G HN 0.628 nan 8.290 nan 0.000 0.543 221 A N -0.020 122.770 122.820 -0.050 0.000 1.969 221 A HA 0.032 4.352 4.320 0.000 0.000 0.218 221 A C 2.510 180.022 177.584 -0.121 0.000 1.169 221 A CA 2.359 54.344 52.037 -0.087 0.000 0.635 221 A CB -0.741 18.226 19.000 -0.054 0.000 0.810 221 A HN 0.307 nan 8.150 nan 0.000 0.445 222 T N 0.392 114.908 114.554 -0.063 0.000 2.701 222 T HA -0.072 4.278 4.350 0.000 0.000 0.263 222 T C 1.808 176.446 174.700 -0.103 0.000 1.040 222 T CA 1.335 63.395 62.100 -0.068 0.000 1.147 222 T CB -0.256 68.711 68.868 0.165 0.000 0.865 222 T HN 0.279 nan 8.240 nan 0.000 0.426 223 I N 1.322 121.797 120.570 -0.157 0.000 2.208 223 I HA -0.098 4.072 4.170 0.000 0.000 0.245 223 I C 2.322 178.366 176.117 -0.122 0.000 1.097 223 I CA 1.314 62.525 61.300 -0.149 0.000 1.363 223 I CB -1.257 36.591 38.000 -0.252 0.000 1.051 223 I HN 0.275 nan 8.210 nan 0.000 0.413 224 L N 0.328 121.459 121.223 -0.153 0.000 2.093 224 L HA -0.143 4.197 4.340 0.000 0.000 0.208 224 L C 2.716 179.490 176.870 -0.159 0.000 1.085 224 L CA 1.125 55.865 54.840 -0.167 0.000 0.755 224 L CB -0.636 41.306 42.059 -0.195 0.000 0.904 224 L HN 0.174 nan 8.230 nan 0.000 0.435 225 A N 0.006 122.735 122.820 -0.151 0.000 1.972 225 A HA -0.131 4.189 4.320 0.000 0.000 0.219 225 A C 1.886 179.428 177.584 -0.070 0.000 1.169 225 A CA 1.806 53.758 52.037 -0.143 0.000 0.635 225 A CB -0.548 18.328 19.000 -0.206 0.000 0.810 225 A HN 0.357 nan 8.150 nan 0.000 0.446 226 V N -1.950 117.954 119.914 -0.017 0.000 3.271 226 V HA 0.156 4.276 4.120 0.000 0.000 0.327 226 V C 1.507 177.634 176.094 0.055 0.000 1.389 226 V CA 0.835 63.220 62.300 0.140 0.000 1.156 226 V CB -0.699 31.251 31.823 0.213 0.000 1.103 226 V HN 0.535 nan 8.190 nan 0.000 0.453 227 S N 2.245 117.905 115.700 -0.068 0.000 2.423 227 S HA -0.223 4.247 4.470 0.000 0.000 0.231 227 S C 1.961 176.476 174.600 -0.142 0.000 1.014 227 S CA 1.196 59.347 58.200 -0.080 0.000 0.965 227 S CB -0.720 62.418 63.200 -0.105 0.000 0.785 227 S HN 0.865 nan 8.310 nan 0.000 0.495 228 R N 0.603 120.921 120.500 -0.303 0.000 2.341 228 R HA 0.008 4.348 4.340 0.000 0.000 0.213 228 R C 0.185 176.102 176.300 -0.637 0.000 1.082 228 R CA 1.084 56.890 56.100 -0.489 0.000 1.017 228 R CB -0.735 29.165 30.300 -0.667 0.000 0.860 228 R HN 0.578 nan 8.270 nan 0.000 0.473 229 F N -0.041 119.905 119.950 -0.008 0.000 2.805 229 F HA 0.449 4.976 4.527 0.000 0.000 0.317 229 F C 1.064 176.862 175.800 -0.003 0.000 1.146 229 F CA -0.238 57.759 58.000 -0.004 0.000 1.265 229 F CB 1.325 40.319 39.000 -0.009 0.000 0.992 229 F HN 0.153 nan 8.300 nan 0.000 0.511 230 G N 0.724 109.579 108.800 0.091 0.000 2.160 230 G HA2 -0.294 3.666 3.960 0.000 0.000 0.251 230 G HA3 -0.294 3.666 3.960 0.000 0.000 0.251 230 G C 1.381 176.325 174.900 0.073 0.000 1.008 230 G CA 0.229 45.369 45.100 0.067 0.000 0.724 230 G HN 0.687 nan 8.290 nan 0.000 0.514 231 G N 0.924 109.776 108.800 0.088 0.000 2.462 231 G HA2 -0.093 3.867 3.960 0.000 0.000 0.220 231 G HA3 -0.093 3.867 3.960 0.000 0.000 0.220 231 G C 1.481 176.412 174.900 0.053 0.000 1.121 231 G CA 1.524 46.672 45.100 0.080 0.000 0.758 231 G HN 0.863 nan 8.290 nan 0.000 0.559 232 E N 0.997 121.211 120.200 0.024 0.000 2.418 232 E HA -0.079 4.271 4.350 0.000 0.000 0.197 232 E C 0.953 177.570 176.600 0.029 0.000 1.026 232 E CA 0.064 56.475 56.400 0.018 0.000 0.862 232 E CB -0.225 29.466 29.700 -0.014 0.000 0.799 232 E HN 0.299 nan 8.360 nan 0.000 0.518 233 R N 1.658 122.175 120.500 0.029 0.000 3.710 233 R HA 0.128 4.468 4.340 0.000 0.000 0.201 233 R C 0.798 177.113 176.300 0.026 0.000 1.641 233 R CA 0.007 56.119 56.100 0.020 0.000 1.390 233 R CB 0.111 30.422 30.300 0.019 0.000 1.341 233 R HN 0.266 nan 8.270 nan 0.000 0.728 234 E N 0.859 121.074 120.200 0.025 0.000 2.112 234 E HA -0.143 4.207 4.350 0.000 0.000 0.190 234 E C 1.364 177.965 176.600 0.002 0.000 0.979 234 E CA 0.818 57.242 56.400 0.041 0.000 0.814 234 E CB 0.124 29.860 29.700 0.059 0.000 0.762 234 E HN 0.474 nan 8.360 nan 0.000 0.460 235 L N 0.834 122.038 121.223 -0.032 0.000 2.046 235 L HA -0.193 4.147 4.340 0.000 0.000 0.208 235 L C 2.480 179.342 176.870 -0.015 0.000 1.077 235 L CA 1.096 55.911 54.840 -0.040 0.000 0.747 235 L CB -0.119 41.907 42.059 -0.056 0.000 0.896 235 L HN 0.083 nan 8.230 nan 0.000 0.432 236 E N -0.495 119.703 120.200 -0.004 0.000 2.152 236 E HA -0.181 4.169 4.350 0.000 0.000 0.192 236 E C 2.224 178.834 176.600 0.016 0.000 0.983 236 E CA 0.758 57.161 56.400 0.005 0.000 0.818 236 E CB 0.122 29.826 29.700 0.007 0.000 0.758 236 E HN 0.306 nan 8.360 nan 0.000 0.467 237 Q N -0.270 119.546 119.800 0.027 0.000 2.224 237 Q HA -0.090 4.250 4.340 0.000 0.000 0.203 237 Q C 2.190 178.212 176.000 0.037 0.000 0.970 237 Q CA 0.852 56.677 55.803 0.038 0.000 0.865 237 Q CB 0.050 28.823 28.738 0.058 0.000 0.922 237 Q HN 0.442 nan 8.270 nan 0.000 0.445 238 I N 0.262 120.850 120.570 0.030 0.000 2.277 238 I HA -0.181 3.990 4.170 0.000 0.000 0.243 238 I C 2.249 178.377 176.117 0.019 0.000 1.094 238 I CA 0.935 62.252 61.300 0.028 0.000 1.393 238 I CB -0.319 37.690 38.000 0.015 0.000 1.078 238 I HN 0.026 nan 8.210 nan 0.000 0.417 239 A N -0.699 122.127 122.820 0.009 0.000 2.067 239 A HA -0.173 4.147 4.320 0.000 0.000 0.219 239 A C 0.763 178.353 177.584 0.010 0.000 1.158 239 A CA 1.609 53.650 52.037 0.006 0.000 0.661 239 A CB -0.147 18.853 19.000 -0.000 0.000 0.801 239 A HN 0.459 nan 8.150 nan 0.000 0.452 240 D N -1.490 118.918 120.400 0.013 0.000 2.826 240 D HA 0.096 4.736 4.640 0.000 0.000 0.239 240 D C -0.314 175.995 176.300 0.016 0.000 1.329 240 D CA -0.448 53.560 54.000 0.013 0.000 0.854 240 D CB -0.195 40.611 40.800 0.011 0.000 1.494 240 D HN 0.271 nan 8.370 nan 0.000 0.540 241 R N 0.847 121.358 120.500 0.017 0.000 2.538 241 R HA 0.322 4.662 4.340 0.000 0.000 0.273 241 R C 0.321 176.626 176.300 0.008 0.000 0.967 241 R CA 0.912 57.022 56.100 0.017 0.000 1.101 241 R CB 0.285 30.594 30.300 0.016 0.000 0.908 241 R HN 0.362 nan 8.270 nan 0.000 0.411 242 G N 0.590 109.393 108.800 0.006 0.000 2.735 242 G HA2 0.121 4.081 3.960 0.000 0.000 0.301 242 G HA3 0.121 4.081 3.960 0.000 0.000 0.301 242 G C 0.399 175.269 174.900 -0.050 0.000 1.279 242 G CA -0.256 44.839 45.100 -0.008 0.000 1.019 242 G HN 0.594 nan 8.290 nan 0.000 0.497 243 T N -0.393 114.103 114.554 -0.097 0.000 2.929 243 T HA -0.062 4.288 4.350 0.000 0.000 0.271 243 T C 2.535 177.060 174.700 -0.292 0.000 1.085 243 T CA 2.396 64.361 62.100 -0.225 0.000 1.125 243 T CB -0.507 68.165 68.868 -0.327 0.000 0.874 243 T HN 0.664 nan 8.240 nan 0.000 0.494 244 A N 1.100 123.840 122.820 -0.134 0.000 1.865 244 A HA 0.163 4.483 4.320 0.000 0.000 0.217 244 A C 2.735 180.313 177.584 -0.011 0.000 1.191 244 A CA 2.063 54.103 52.037 0.004 0.000 0.623 244 A CB -1.392 17.700 19.000 0.154 0.000 0.826 244 A HN 0.643 nan 8.150 nan 0.000 0.444 245 A N -0.572 122.249 122.820 0.002 0.000 1.969 245 A HA -0.135 4.185 4.320 0.000 0.000 0.218 245 A C 1.929 179.503 177.584 -0.016 0.000 1.169 245 A CA 1.616 53.665 52.037 0.021 0.000 0.635 245 A CB -0.467 18.556 19.000 0.038 0.000 0.810 245 A HN 0.659 nan 8.150 nan 0.000 0.445 246 E N -0.482 119.679 120.200 -0.065 0.000 2.072 246 E HA -0.147 4.203 4.350 0.000 0.000 0.190 246 E C 2.303 178.811 176.600 -0.154 0.000 0.982 246 E CA 0.993 57.336 56.400 -0.096 0.000 0.803 246 E CB -0.130 29.507 29.700 -0.106 0.000 0.755 246 E HN 0.557 nan 8.360 nan 0.000 0.453 247 R N 0.651 121.036 120.500 -0.192 0.000 2.115 247 R HA -0.038 4.302 4.340 0.000 0.000 0.230 247 R C 2.336 178.546 176.300 -0.149 0.000 1.111 247 R CA 0.935 56.901 56.100 -0.223 0.000 0.976 247 R CB -0.258 29.893 30.300 -0.248 0.000 0.870 247 R HN 0.082 nan 8.270 nan 0.000 0.445 248 A N 1.648 124.431 122.820 -0.062 0.000 1.851 248 A HA -0.171 4.149 4.320 0.000 0.000 0.216 248 A C 2.434 180.064 177.584 0.076 0.000 1.195 248 A CA 1.852 53.902 52.037 0.022 0.000 0.622 248 A CB -0.937 18.112 19.000 0.082 0.000 0.831 248 A HN 0.382 nan 8.150 nan 0.000 0.444 249 A N -0.633 122.209 122.820 0.035 0.000 1.908 249 A HA -0.077 4.243 4.320 0.000 0.000 0.218 249 A C 2.189 179.726 177.584 -0.079 0.000 1.181 249 A CA 1.676 53.736 52.037 0.038 0.000 0.627 249 A CB -0.601 18.407 19.000 0.012 0.000 0.818 249 A HN 0.484 nan 8.150 nan 0.000 0.445 250 L N -2.282 118.773 121.223 -0.280 0.000 2.179 250 L HA -0.050 4.290 4.340 0.000 0.000 0.208 250 L C 2.363 178.756 176.870 -0.795 0.000 1.096 250 L CA 0.914 55.343 54.840 -0.686 0.000 0.779 250 L CB -0.429 41.015 42.059 -1.024 0.000 0.922 250 L HN 0.507 nan 8.230 nan 0.000 0.443 251 F N 0.096 119.680 119.950 -0.610 0.000 2.091 251 F HA -0.284 4.243 4.527 0.000 0.000 0.299 251 F C 1.957 177.453 175.800 -0.506 0.000 1.103 251 F CA 1.782 59.439 58.000 -0.572 0.000 1.228 251 F CB -0.394 38.198 39.000 -0.680 0.000 0.984 251 F HN -0.003 nan 8.300 nan 0.000 0.477 252 W N 0.274 121.570 121.300 -0.006 0.000 2.409 252 W HA -0.018 4.643 4.660 0.000 0.000 0.299 252 W C 2.806 179.221 176.519 -0.172 0.000 1.203 252 W CA 1.033 58.327 57.345 -0.084 0.000 1.298 252 W CB -0.530 28.876 29.460 -0.090 0.000 1.127 252 W HN -0.125 nan 8.180 nan 0.000 0.528 253 R N -0.171 120.354 120.500 0.041 0.000 2.091 253 R HA -0.204 4.136 4.340 0.000 0.000 0.238 253 R C 1.888 178.306 176.300 0.196 0.000 1.136 253 R CA 2.157 58.312 56.100 0.091 0.000 0.959 253 R CB -0.689 29.651 30.300 0.067 0.000 0.856 253 R HN 0.123 nan 8.270 nan 0.000 0.437 254 W N 0.244 121.480 121.300 -0.107 0.000 2.436 254 W HA 0.045 4.705 4.660 0.000 0.000 0.284 254 W C 2.133 178.532 176.519 -0.199 0.000 1.225 254 W CA 0.877 58.131 57.345 -0.152 0.000 1.271 254 W CB -1.053 28.289 29.460 -0.197 0.000 1.114 254 W HN 0.117 nan 8.180 nan 0.000 0.559 255 T N 0.857 115.348 114.554 -0.105 0.000 2.732 255 T HA -0.123 4.227 4.350 0.000 0.000 0.261 255 T C 1.653 176.377 174.700 0.040 0.000 1.040 255 T CA 2.014 64.019 62.100 -0.157 0.000 1.145 255 T CB -0.248 68.379 68.868 -0.402 0.000 0.866 255 T HN 0.206 nan 8.240 nan 0.000 0.427 256 M N -1.103 118.570 119.600 0.122 0.000 2.340 256 M HA 0.602 5.082 4.480 0.000 0.000 0.345 256 M C 1.146 177.607 176.300 0.268 0.000 1.008 256 M CA 0.135 55.545 55.300 0.184 0.000 0.987 256 M CB 1.094 33.813 32.600 0.198 0.000 1.598 256 M HN 0.262 nan 8.290 nan 0.000 0.569 257 G N 2.125 111.063 108.800 0.231 0.000 2.157 257 G HA2 -0.261 3.699 3.960 0.000 0.000 0.248 257 G HA3 -0.261 3.699 3.960 0.000 0.000 0.248 257 G C -0.274 174.854 174.900 0.379 0.000 0.979 257 G CA 0.493 45.752 45.100 0.265 0.000 0.650 257 G HN 0.898 nan 8.290 nan 0.000 0.529 258 F N -0.643 119.368 119.950 0.102 0.000 2.779 258 F HA 0.755 5.282 4.527 0.000 0.000 0.316 258 F C -0.945 174.914 175.800 0.099 0.000 1.164 258 F CA -1.101 56.953 58.000 0.090 0.000 0.924 258 F CB 0.759 39.800 39.000 0.069 0.000 1.348 258 F HN 0.497 nan 8.300 nan 0.000 0.467 259 N N 1.112 119.793 118.700 -0.031 0.000 3.116 259 N HA 0.683 5.423 4.740 0.000 0.000 0.244 259 N C -1.932 173.597 175.510 0.031 0.000 1.485 259 N CA -0.524 52.474 53.050 -0.087 0.000 0.884 259 N CB 1.742 40.257 38.487 0.047 0.000 1.415 259 N HN 1.139 nan 8.380 nan 0.000 0.524 260 A N -0.055 122.780 122.820 0.026 0.000 2.468 260 A HA 0.837 5.157 4.320 0.000 0.000 0.277 260 A C 0.103 177.762 177.584 0.126 0.000 1.203 260 A CA -0.177 51.941 52.037 0.136 0.000 0.932 260 A CB 0.575 19.643 19.000 0.115 0.000 1.438 260 A HN 0.864 nan 8.150 nan 0.000 0.468 261 T N -3.201 111.438 114.554 0.142 0.000 2.948 261 T HA 0.430 4.780 4.350 0.000 0.000 0.285 261 T C 0.992 175.768 174.700 0.126 0.000 1.019 261 T CA -0.033 62.136 62.100 0.115 0.000 1.013 261 T CB 0.866 69.796 68.868 0.103 0.000 1.117 261 T HN 0.492 nan 8.240 nan 0.000 0.533 262 M N 0.480 120.157 119.600 0.129 0.000 2.106 262 M HA -0.094 4.386 4.480 0.000 0.000 0.259 262 M C 2.171 178.613 176.300 0.237 0.000 1.068 262 M CA 1.924 57.330 55.300 0.177 0.000 1.100 262 M CB -0.845 31.842 32.600 0.145 0.000 1.351 262 M HN 0.912 nan 8.290 nan 0.000 0.404 263 E N -1.514 118.782 120.200 0.161 0.000 2.107 263 E HA -0.096 4.254 4.350 0.000 0.000 0.191 263 E C 1.906 178.604 176.600 0.163 0.000 0.982 263 E CA 1.104 57.594 56.400 0.150 0.000 0.809 263 E CB -0.398 29.347 29.700 0.075 0.000 0.756 263 E HN 0.641 nan 8.360 nan 0.000 0.459 264 G N 1.124 110.008 108.800 0.140 0.000 2.421 264 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 264 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 264 G C 1.493 176.511 174.900 0.197 0.000 1.143 264 G CA 0.386 45.568 45.100 0.137 0.000 0.784 264 G HN 0.280 nan 8.290 nan 0.000 0.541 265 I N 0.778 121.430 120.570 0.136 0.000 2.335 265 I HA -0.130 4.040 4.170 0.000 0.000 0.251 265 I C 2.262 178.253 176.117 -0.209 0.000 1.129 265 I CA 1.178 62.467 61.300 -0.019 0.000 1.402 265 I CB -0.317 37.530 38.000 -0.254 0.000 1.069 265 I HN 0.281 nan 8.210 nan 0.000 0.424 266 H N -0.587 118.445 119.070 -0.063 0.000 2.502 266 H HA 0.094 4.650 4.556 0.000 0.000 0.283 266 H C 2.209 177.519 175.328 -0.031 0.000 1.015 266 H CA 0.879 56.858 56.048 -0.115 0.000 1.298 266 H CB 0.010 29.701 29.762 -0.119 0.000 1.411 266 H HN 0.280 nan 8.280 nan 0.000 0.556 267 R N -0.661 119.906 120.500 0.111 0.000 2.080 267 R HA -0.087 4.253 4.340 0.000 0.000 0.222 267 R C 1.507 177.921 176.300 0.190 0.000 1.107 267 R CA 1.043 57.224 56.100 0.135 0.000 0.980 267 R CB -0.276 30.079 30.300 0.092 0.000 0.879 267 R HN 0.364 nan 8.270 nan 0.000 0.439 268 W N 1.402 122.744 121.300 0.070 0.000 2.318 268 W HA -0.217 4.443 4.660 0.000 0.000 0.313 268 W C 2.604 179.131 176.519 0.012 0.000 1.221 268 W CA 1.329 58.704 57.345 0.050 0.000 1.266 268 W CB -0.353 29.085 29.460 -0.037 0.000 1.150 268 W HN 0.189 nan 8.180 nan 0.000 0.496 269 A N 0.269 123.162 122.820 0.122 0.000 1.851 269 A HA -0.256 4.064 4.320 0.000 0.000 0.216 269 A C 1.935 179.509 177.584 -0.015 0.000 1.195 269 A CA 1.923 53.925 52.037 -0.057 0.000 0.622 269 A CB -1.189 17.651 19.000 -0.266 0.000 0.831 269 A HN 0.350 nan 8.150 nan 0.000 0.444 270 I N -2.224 118.334 120.570 -0.021 0.000 2.264 270 I HA -0.283 3.887 4.170 0.000 0.000 0.248 270 I C 2.317 178.358 176.117 -0.127 0.000 1.111 270 I CA 1.552 62.796 61.300 -0.094 0.000 1.382 270 I CB -0.107 37.811 38.000 -0.136 0.000 1.060 270 I HN 0.633 nan 8.210 nan 0.000 0.418 271 W N -0.215 121.082 121.300 -0.004 0.000 2.443 271 W HA -0.187 4.473 4.660 0.000 0.000 0.296 271 W C 2.459 178.944 176.519 -0.057 0.000 1.202 271 W CA 0.760 58.080 57.345 -0.043 0.000 1.312 271 W CB -0.316 29.099 29.460 -0.075 0.000 1.120 271 W HN 0.123 nan 8.180 nan 0.000 0.536 272 M N 1.145 120.902 119.600 0.262 0.000 2.073 272 M HA -0.203 4.277 4.480 0.000 0.000 0.258 272 M C 2.110 178.491 176.300 0.135 0.000 1.070 272 M CA 2.563 58.000 55.300 0.228 0.000 1.103 272 M CB -0.973 31.775 32.600 0.247 0.000 1.321 272 M HN -0.029 nan 8.290 nan 0.000 0.405 273 A N -0.757 122.112 122.820 0.082 0.000 1.858 273 A HA -0.114 4.206 4.320 0.000 0.000 0.216 273 A C 2.237 179.840 177.584 0.033 0.000 1.190 273 A CA 2.399 54.472 52.037 0.060 0.000 0.617 273 A CB -1.755 17.260 19.000 0.024 0.000 0.827 273 A HN 0.735 nan 8.150 nan 0.000 0.443 274 V N -1.251 118.648 119.914 -0.026 0.000 2.594 274 V HA -0.145 3.975 4.120 0.000 0.000 0.253 274 V C 2.113 178.196 176.094 -0.018 0.000 1.069 274 V CA 2.053 64.329 62.300 -0.041 0.000 1.082 274 V CB -0.741 30.985 31.823 -0.163 0.000 0.680 274 V HN 0.443 nan 8.190 nan 0.000 0.469 275 L N -0.292 120.877 121.223 -0.090 0.000 2.201 275 L HA -0.069 4.271 4.340 0.000 0.000 0.212 275 L C 2.625 179.426 176.870 -0.116 0.000 1.105 275 L CA 1.155 55.822 54.840 -0.288 0.000 0.775 275 L CB -0.505 40.949 42.059 -1.008 0.000 0.913 275 L HN 0.277 nan 8.230 nan 0.000 0.440 276 V N 0.111 120.060 119.914 0.059 0.000 2.220 276 V HA -0.379 3.741 4.120 0.000 0.000 0.250 276 V C 2.570 178.766 176.094 0.171 0.000 1.056 276 V CA 2.737 65.148 62.300 0.184 0.000 1.016 276 V CB -1.186 30.732 31.823 0.159 0.000 0.639 276 V HN 0.679 nan 8.190 nan 0.000 0.446 277 T N -2.507 112.141 114.554 0.157 0.000 3.067 277 T HA 0.126 4.476 4.350 0.000 0.000 0.257 277 T C 1.801 176.689 174.700 0.314 0.000 1.105 277 T CA 0.576 62.795 62.100 0.198 0.000 1.104 277 T CB -0.162 68.817 68.868 0.185 0.000 0.925 277 T HN 0.302 nan 8.240 nan 0.000 0.498 278 L N 1.923 123.300 121.223 0.257 0.000 2.005 278 L HA -0.074 4.266 4.340 0.000 0.000 0.207 278 L C 3.318 180.388 176.870 0.333 0.000 1.072 278 L CA 1.927 56.934 54.840 0.279 0.000 0.744 278 L CB -1.121 40.991 42.059 0.088 0.000 0.895 278 L HN 0.483 nan 8.230 nan 0.000 0.433 279 T N -3.113 111.607 114.554 0.278 0.000 2.821 279 T HA -0.092 4.258 4.350 0.000 0.000 0.267 279 T C 1.911 176.793 174.700 0.302 0.000 1.046 279 T CA 0.968 63.293 62.100 0.376 0.000 1.139 279 T CB -0.957 68.204 68.868 0.489 0.000 0.871 279 T HN 0.386 nan 8.240 nan 0.000 0.454 280 G N 1.499 110.442 108.800 0.239 0.000 2.433 280 G HA2 0.050 4.010 3.960 0.000 0.000 0.216 280 G HA3 0.050 4.010 3.960 0.000 0.000 0.216 280 G C 1.774 176.714 174.900 0.066 0.000 1.186 280 G CA 0.694 45.884 45.100 0.150 0.000 0.779 280 G HN 0.655 nan 8.290 nan 0.000 0.543 281 G N 0.971 109.804 108.800 0.056 0.000 2.469 281 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 281 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 281 G C 1.786 176.612 174.900 -0.123 0.000 1.150 281 G CA 0.912 45.847 45.100 -0.275 0.000 0.763 281 G HN 0.459 nan 8.290 nan 0.000 0.561 282 I N 1.112 121.769 120.570 0.146 0.000 2.252 282 I HA -0.060 4.110 4.170 0.000 0.000 0.245 282 I C 3.086 179.063 176.117 -0.232 0.000 1.102 282 I CA 0.953 62.205 61.300 -0.080 0.000 1.385 282 I CB -0.455 37.260 38.000 -0.476 0.000 1.064 282 I HN 0.244 nan 8.210 nan 0.000 0.414 283 G N 1.302 110.017 108.800 -0.142 0.000 2.418 283 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 283 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 283 G C 1.571 176.503 174.900 0.053 0.000 1.158 283 G CA 0.505 45.601 45.100 -0.006 0.000 0.771 283 G HN 0.164 nan 8.290 nan 0.000 0.545 284 I N 0.342 120.912 120.570 -0.001 0.000 2.233 284 I HA 0.015 4.185 4.170 0.000 0.000 0.243 284 I C 2.591 178.742 176.117 0.056 0.000 1.093 284 I CA 0.433 61.732 61.300 -0.001 0.000 1.380 284 I CB -1.125 36.784 38.000 -0.152 0.000 1.067 284 I HN 0.125 nan 8.210 nan 0.000 0.413 285 L N 0.721 121.922 121.223 -0.037 0.000 2.127 285 L HA -0.150 4.190 4.340 0.000 0.000 0.211 285 L C 2.225 179.128 176.870 0.054 0.000 1.089 285 L CA 1.756 56.583 54.840 -0.020 0.000 0.757 285 L CB -0.497 41.520 42.059 -0.070 0.000 0.899 285 L HN 0.141 nan 8.230 nan 0.000 0.434 286 L N -1.435 119.848 121.223 0.100 0.000 2.418 286 L HA 0.026 4.366 4.340 0.000 0.000 0.218 286 L C 0.923 177.870 176.870 0.129 0.000 1.125 286 L CA -0.093 54.828 54.840 0.134 0.000 0.835 286 L CB -0.348 41.850 42.059 0.231 0.000 0.953 286 L HN 0.032 nan 8.230 nan 0.000 0.454 287 S N 0.239 116.066 115.700 0.212 0.000 2.481 287 S HA 0.374 4.844 4.470 0.000 0.000 0.276 287 S C 1.131 175.695 174.600 -0.060 0.000 1.247 287 S CA 0.420 58.656 58.200 0.061 0.000 1.053 287 S CB 0.966 64.197 63.200 0.053 0.000 0.925 287 S HN 0.556 nan 8.310 nan 0.000 0.491 288 G N 3.174 111.972 108.800 -0.004 0.000 2.363 288 G HA2 -0.379 3.581 3.960 0.000 0.000 0.238 288 G HA3 -0.379 3.581 3.960 0.000 0.000 0.238 288 G C 1.153 176.056 174.900 0.005 0.000 1.062 288 G CA 0.960 46.113 45.100 0.089 0.000 0.629 288 G HN 0.845 nan 8.290 nan 0.000 0.514 289 T N -2.003 112.551 114.554 -0.001 0.000 2.937 289 T HA 0.359 4.709 4.350 0.000 0.000 0.260 289 T C 2.089 176.770 174.700 -0.032 0.000 1.051 289 T CA 2.294 64.386 62.100 -0.012 0.000 1.141 289 T CB 0.164 69.034 68.868 0.004 0.000 0.879 289 T HN 0.752 nan 8.240 nan 0.000 0.459 290 V N -0.176 119.704 119.914 -0.058 0.000 3.250 290 V HA 0.387 4.507 4.120 0.000 0.000 0.240 290 V C 0.304 176.300 176.094 -0.163 0.000 1.275 290 V CA -0.181 62.076 62.300 -0.072 0.000 1.206 290 V CB 1.132 32.934 31.823 -0.035 0.000 0.976 290 V HN 0.305 nan 8.190 nan 0.000 0.467 291 V N 1.009 120.733 119.914 -0.318 0.000 2.407 291 V HA 0.346 4.466 4.120 0.000 0.000 0.291 291 V C 0.326 176.155 176.094 -0.441 0.000 1.018 291 V CA -0.262 61.701 62.300 -0.561 0.000 0.842 291 V CB 1.411 32.373 31.823 -1.436 0.000 0.996 291 V HN 0.279 nan 8.190 nan 0.000 0.426 292 D N 2.649 122.889 120.400 -0.266 0.000 2.149 292 D HA -0.022 4.618 4.640 0.000 0.000 0.201 292 D C 0.808 177.007 176.300 -0.168 0.000 0.972 292 D CA 1.157 55.059 54.000 -0.164 0.000 0.835 292 D CB 0.279 41.005 40.800 -0.123 0.000 0.966 292 D HN 0.480 nan 8.370 nan 0.000 0.476 293 N N -0.785 117.783 118.700 -0.221 0.000 2.549 293 N HA 0.018 4.758 4.740 0.000 0.000 0.290 293 N C -0.717 174.782 175.510 -0.018 0.000 1.122 293 N CA -0.425 52.582 53.050 -0.072 0.000 0.885 293 N CB 0.371 38.856 38.487 -0.004 0.000 1.455 293 N HN 0.022 nan 8.380 nan 0.000 0.521 294 W N 1.959 123.389 121.300 0.216 0.000 2.418 294 W HA -0.072 4.588 4.660 0.000 0.000 0.292 294 W C 1.825 178.525 176.519 0.302 0.000 1.213 294 W CA 0.454 57.969 57.345 0.283 0.000 1.283 294 W CB -0.257 29.372 29.460 0.281 0.000 1.119 294 W HN 0.678 nan 8.180 nan 0.000 0.542 295 Y N 0.880 121.327 120.300 0.244 0.000 2.081 295 Y HA -0.342 4.208 4.550 0.000 0.000 0.280 295 Y C 2.231 178.054 175.900 -0.127 0.000 1.163 295 Y CA 2.275 60.211 58.100 -0.274 0.000 1.135 295 Y CB -0.931 37.331 38.460 -0.329 0.000 0.970 295 Y HN -0.223 nan 8.280 nan 0.000 0.498 296 V N -0.644 119.236 119.914 -0.057 0.000 2.261 296 V HA -0.322 3.798 4.120 0.000 0.000 0.246 296 V C 2.113 178.123 176.094 -0.140 0.000 1.047 296 V CA 2.058 64.268 62.300 -0.151 0.000 1.015 296 V CB -1.188 30.626 31.823 -0.014 0.000 0.642 296 V HN 0.738 nan 8.190 nan 0.000 0.446 297 W N 1.402 122.600 121.300 -0.171 0.000 2.321 297 W HA -0.168 4.492 4.660 0.000 0.000 0.306 297 W C 2.271 178.681 176.519 -0.182 0.000 1.217 297 W CA 1.975 59.242 57.345 -0.130 0.000 1.257 297 W CB -0.638 28.777 29.460 -0.076 0.000 1.145 297 W HN 0.252 nan 8.180 nan 0.000 0.509 298 G N -0.449 108.358 108.800 0.010 0.000 2.443 298 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 298 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 298 G C 1.397 175.879 174.900 -0.696 0.000 1.131 298 G CA 0.808 45.728 45.100 -0.300 0.000 0.775 298 G HN 0.287 nan 8.290 nan 0.000 0.547 299 Q N 0.177 119.609 119.800 -0.612 0.000 2.297 299 Q HA 0.034 4.374 4.340 0.000 0.000 0.204 299 Q C 1.868 177.564 176.000 -0.507 0.000 0.962 299 Q CA 0.654 56.136 55.803 -0.535 0.000 0.879 299 Q CB -0.013 28.416 28.738 -0.515 0.000 0.947 299 Q HN 0.506 nan 8.270 nan 0.000 0.462 300 N N -0.660 117.670 118.700 -0.617 0.000 2.571 300 N HA -0.031 4.709 4.740 0.000 0.000 0.195 300 N C -0.370 174.782 175.510 -0.597 0.000 1.040 300 N CA 0.242 52.996 53.050 -0.493 0.000 0.890 300 N CB 0.396 38.671 38.487 -0.353 0.000 1.233 300 N HN 0.251 nan 8.380 nan 0.000 0.435 301 H N -0.607 118.003 119.070 -0.766 0.000 2.819 301 H HA -0.115 4.441 4.556 0.000 0.000 0.315 301 H C 0.806 175.833 175.328 -0.501 0.000 1.242 301 H CA 0.976 56.448 56.048 -0.960 0.000 1.157 301 H CB -1.681 27.732 29.762 -0.581 0.000 1.451 301 H HN 0.569 nan 8.280 nan 0.000 0.430 302 G N -2.590 105.973 108.800 -0.395 0.000 4.225 302 G HA2 0.499 4.459 3.960 0.000 0.000 0.177 302 G HA3 0.499 4.459 3.960 0.000 0.000 0.177 302 G C 0.251 175.148 174.900 -0.004 0.000 0.949 302 G CA 0.627 45.677 45.100 -0.084 0.000 0.796 302 G HN 0.829 nan 8.290 nan 0.000 0.504 303 M N 0.000 119.591 119.600 -0.015 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