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 1v53_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTSMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE EASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLN 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.351 55.300 0.085 0.000 0.988 1 M CB 0.000 32.753 32.600 0.255 0.000 1.302 2 K N 5.879 126.283 120.400 0.007 0.000 2.404 2 K HA 0.730 5.050 4.320 -0.000 0.000 0.257 2 K C -1.147 175.424 176.600 -0.048 0.000 1.026 2 K CA -0.297 55.972 56.287 -0.031 0.000 0.951 2 K CB 0.460 32.952 32.500 -0.013 0.000 1.203 2 K HN 0.752 nan 8.250 nan 0.000 0.446 3 M N 2.246 121.752 119.600 -0.155 0.000 2.180 3 M HA 0.447 4.927 4.480 -0.000 0.000 0.350 3 M C -0.868 175.320 176.300 -0.187 0.000 1.125 3 M CA -0.573 54.606 55.300 -0.201 0.000 1.031 3 M CB 1.435 33.621 32.600 -0.689 0.000 1.623 3 M HN 0.153 nan 8.290 nan 0.000 0.451 4 K N 4.758 125.139 120.400 -0.033 0.000 2.211 4 K HA 0.695 5.015 4.320 -0.000 0.000 0.275 4 K C -1.238 175.373 176.600 0.018 0.000 1.024 4 K CA -0.342 55.924 56.287 -0.036 0.000 0.887 4 K CB 1.552 34.073 32.500 0.035 0.000 1.084 4 K HN 0.716 nan 8.250 nan 0.000 0.463 5 L N 2.268 123.450 121.223 -0.068 0.000 2.356 5 L HA 0.505 4.845 4.340 -0.000 0.000 0.277 5 L C -0.330 176.606 176.870 0.110 0.000 0.996 5 L CA -1.092 53.769 54.840 0.035 0.000 0.822 5 L CB 1.965 43.997 42.059 -0.045 0.000 1.256 5 L HN 0.653 nan 8.230 nan 0.000 0.413 6 A N 3.734 126.646 122.820 0.154 0.000 2.309 6 A HA 0.654 4.974 4.320 -0.000 0.000 0.290 6 A C -0.334 177.341 177.584 0.152 0.000 1.206 6 A CA -0.354 51.773 52.037 0.151 0.000 0.850 6 A CB 0.579 19.681 19.000 0.169 0.000 1.118 6 A HN 0.434 nan 8.150 nan 0.000 0.523 7 V N 4.274 124.277 119.914 0.147 0.000 2.378 7 V HA 0.326 4.446 4.120 -0.000 0.000 0.288 7 V C -0.861 175.282 176.094 0.082 0.000 1.016 7 V CA -0.293 62.084 62.300 0.128 0.000 0.840 7 V CB 1.024 32.937 31.823 0.150 0.000 0.994 7 V HN 0.678 nan 8.190 nan 0.000 0.431 8 L N 8.727 129.988 121.223 0.064 0.000 2.435 8 L HA 0.416 4.756 4.340 -0.000 0.000 0.253 8 L C -1.142 175.742 176.870 0.023 0.000 1.087 8 L CA -1.511 53.352 54.840 0.038 0.000 0.950 8 L CB 1.078 43.156 42.059 0.031 0.000 1.304 8 L HN 0.339 nan 8.230 nan 0.000 0.453 9 P HA -0.128 nan 4.420 nan 0.000 0.216 9 P C 0.886 178.191 177.300 0.008 0.000 1.153 9 P CA 1.673 64.782 63.100 0.015 0.000 0.858 9 P CB 0.608 32.316 31.700 0.015 0.000 0.789 10 G N 0.309 109.107 108.800 -0.002 0.000 2.481 10 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.230 10 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.230 10 G C -0.985 173.909 174.900 -0.010 0.000 1.210 10 G CA 0.152 45.238 45.100 -0.023 0.000 0.936 10 G HN 0.323 nan 8.290 nan 0.000 0.583 11 D N 0.479 120.874 120.400 -0.009 0.000 2.650 11 D HA 0.567 5.207 4.640 -0.000 0.000 0.255 11 D C 1.441 177.788 176.300 0.079 0.000 1.135 11 D CA 0.720 54.748 54.000 0.045 0.000 1.099 11 D CB 0.448 41.265 40.800 0.028 0.000 1.273 11 D HN 1.847 nan 8.370 nan 0.000 0.628 12 G N 1.029 109.902 108.800 0.121 0.000 2.685 12 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.329 12 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.329 12 G C 1.041 175.986 174.900 0.075 0.000 1.271 12 G CA 1.062 46.223 45.100 0.101 0.000 1.003 12 G HN 0.742 nan 8.290 nan 0.000 0.549 13 I N 0.241 120.855 120.570 0.073 0.000 3.684 13 I HA 0.416 4.586 4.170 -0.000 0.000 0.304 13 I C 2.231 178.394 176.117 0.076 0.000 1.278 13 I CA 1.230 62.568 61.300 0.063 0.000 1.272 13 I CB -0.611 37.420 38.000 0.051 0.000 1.029 13 I HN 0.573 nan 8.210 nan 0.000 0.458 14 G N 3.325 112.170 108.800 0.076 0.000 2.491 14 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 14 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 14 G C -0.111 174.814 174.900 0.042 0.000 1.180 14 G CA 1.294 46.430 45.100 0.060 0.000 0.774 14 G HN 0.408 nan 8.290 nan 0.000 0.562 15 P HA -0.074 nan 4.420 nan 0.000 0.217 15 P C 1.324 178.632 177.300 0.013 0.000 1.150 15 P CA 1.477 64.590 63.100 0.021 0.000 0.832 15 P CB -0.018 31.697 31.700 0.024 0.000 0.787 16 E N 0.108 120.319 120.200 0.019 0.000 2.047 16 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 16 E C 2.057 178.663 176.600 0.010 0.000 0.987 16 E CA 1.634 58.040 56.400 0.010 0.000 0.799 16 E CB -0.580 29.127 29.700 0.012 0.000 0.752 16 E HN 0.173 nan 8.360 nan 0.000 0.449 17 V N -0.953 118.980 119.914 0.031 0.000 2.970 17 V HA -0.093 4.027 4.120 -0.000 0.000 0.260 17 V C 1.993 178.101 176.094 0.023 0.000 1.100 17 V CA 1.100 63.425 62.300 0.041 0.000 1.122 17 V CB -0.061 31.825 31.823 0.105 0.000 0.721 17 V HN 0.135 nan 8.190 nan 0.000 0.483 18 M N 1.406 121.013 119.600 0.012 0.000 2.287 18 M HA 0.098 4.578 4.480 -0.000 0.000 0.266 18 M C 1.577 177.851 176.300 -0.044 0.000 1.079 18 M CA 1.463 56.758 55.300 -0.008 0.000 1.146 18 M CB -0.752 31.847 32.600 -0.002 0.000 1.374 18 M HN 0.342 nan 8.290 nan 0.000 0.435 19 D N 0.521 120.896 120.400 -0.043 0.000 2.092 19 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 19 D C 1.973 178.228 176.300 -0.074 0.000 0.994 19 D CA 1.916 55.875 54.000 -0.069 0.000 0.828 19 D CB -0.555 40.216 40.800 -0.049 0.000 0.963 19 D HN 0.439 nan 8.370 nan 0.000 0.450 20 A N 1.402 124.193 122.820 -0.047 0.000 1.884 20 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 20 A C 2.374 179.928 177.584 -0.050 0.000 1.197 20 A CA 3.047 55.058 52.037 -0.044 0.000 0.637 20 A CB -1.005 17.980 19.000 -0.025 0.000 0.827 20 A HN 0.274 nan 8.150 nan 0.000 0.450 21 A N -0.656 122.140 122.820 -0.040 0.000 1.972 21 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 21 A C 2.122 179.664 177.584 -0.071 0.000 1.169 21 A CA 1.559 53.574 52.037 -0.037 0.000 0.635 21 A CB -0.576 18.416 19.000 -0.013 0.000 0.810 21 A HN 0.543 nan 8.150 nan 0.000 0.446 22 I N -1.249 119.242 120.570 -0.131 0.000 2.286 22 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 22 I C 2.713 178.701 176.117 -0.216 0.000 1.104 22 I CA 0.966 62.108 61.300 -0.263 0.000 1.397 22 I CB -0.325 37.413 38.000 -0.436 0.000 1.072 22 I HN 0.270 nan 8.210 nan 0.000 0.417 23 R N 0.253 120.663 120.500 -0.151 0.000 2.091 23 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 23 R C 2.308 178.567 176.300 -0.068 0.000 1.136 23 R CA 1.366 57.403 56.100 -0.104 0.000 0.959 23 R CB -0.520 29.733 30.300 -0.078 0.000 0.856 23 R HN 0.216 nan 8.270 nan 0.000 0.437 24 V N 1.096 120.975 119.914 -0.057 0.000 2.307 24 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 24 V C 2.190 178.271 176.094 -0.022 0.000 1.045 24 V CA 1.367 63.646 62.300 -0.035 0.000 1.024 24 V CB -0.439 31.366 31.823 -0.030 0.000 0.651 24 V HN 0.215 nan 8.190 nan 0.000 0.449 25 L N 0.005 121.216 121.223 -0.020 0.000 2.043 25 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 25 L C 2.359 179.264 176.870 0.058 0.000 1.075 25 L CA 1.952 56.807 54.840 0.025 0.000 0.752 25 L CB -0.872 41.231 42.059 0.074 0.000 0.891 25 L HN 0.279 nan 8.230 nan 0.000 0.432 26 K N -1.160 119.261 120.400 0.035 0.000 1.965 26 K HA -0.176 4.144 4.320 -0.000 0.000 0.214 26 K C 1.945 178.566 176.600 0.035 0.000 1.046 26 K CA 2.226 58.550 56.287 0.062 0.000 0.944 26 K CB -0.666 31.837 32.500 0.006 0.000 0.726 26 K HN 0.564 nan 8.250 nan 0.000 0.441 27 T N -0.299 114.259 114.554 0.007 0.000 2.721 27 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 27 T C 2.050 176.757 174.700 0.011 0.000 1.038 27 T CA 1.676 63.779 62.100 0.005 0.000 1.145 27 T CB -0.775 68.088 68.868 -0.008 0.000 0.858 27 T HN -0.043 nan 8.240 nan 0.000 0.459 28 V N 1.582 121.502 119.914 0.010 0.000 2.307 28 V HA 0.016 4.136 4.120 -0.000 0.000 0.245 28 V C 2.721 178.830 176.094 0.026 0.000 1.045 28 V CA 1.518 63.824 62.300 0.010 0.000 1.024 28 V CB -0.640 31.179 31.823 -0.006 0.000 0.651 28 V HN 0.478 nan 8.190 nan 0.000 0.449 29 L N 0.154 121.396 121.223 0.031 0.000 2.478 29 L HA -0.052 4.288 4.340 -0.000 0.000 0.223 29 L C 2.102 179.017 176.870 0.075 0.000 1.140 29 L CA 0.968 55.843 54.840 0.060 0.000 0.842 29 L CB -0.500 41.572 42.059 0.022 0.000 0.953 29 L HN 0.426 nan 8.230 nan 0.000 0.452 30 D N 1.489 121.917 120.400 0.048 0.000 2.087 30 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 30 D C 0.867 177.180 176.300 0.020 0.000 0.980 30 D CA 0.893 54.911 54.000 0.031 0.000 0.849 30 D CB -0.162 40.653 40.800 0.024 0.000 1.001 30 D HN 0.335 nan 8.370 nan 0.000 0.452 31 N N 0.532 119.243 118.700 0.020 0.000 2.543 31 N HA 0.091 4.831 4.740 -0.000 0.000 0.289 31 N C -0.583 174.936 175.510 0.015 0.000 1.223 31 N CA 0.386 53.443 53.050 0.012 0.000 1.080 31 N CB 0.702 39.195 38.487 0.011 0.000 1.450 31 N HN 0.206 nan 8.380 nan 0.000 0.501 32 D N -0.965 119.431 120.400 -0.007 0.000 1.760 32 D HA 0.041 4.681 4.640 -0.000 0.000 0.112 32 D C 0.742 176.973 176.300 -0.115 0.000 1.456 32 D CA 0.866 54.842 54.000 -0.041 0.000 0.564 32 D CB -0.573 40.240 40.800 0.021 0.000 3.258 32 D HN 0.476 nan 8.370 nan 0.000 0.191 33 G N -0.553 108.159 108.800 -0.147 0.000 3.594 33 G HA2 0.015 3.975 3.960 -0.000 0.000 0.107 33 G HA3 0.015 3.975 3.960 -0.000 0.000 0.107 33 G C -1.020 173.803 174.900 -0.130 0.000 1.307 33 G CA -0.026 44.970 45.100 -0.175 0.000 1.089 33 G HN 0.274 nan 8.290 nan 0.000 0.364 34 H N 2.417 121.456 119.070 -0.052 0.000 1.625 34 H HA -0.118 4.437 4.556 -0.000 0.000 0.301 34 H C 0.442 175.711 175.328 -0.098 0.000 0.726 34 H CA 1.466 57.464 56.048 -0.085 0.000 1.034 34 H CB -0.274 29.425 29.762 -0.105 0.000 1.410 34 H HN 0.670 nan 8.280 nan 0.000 0.224 35 E N 1.668 121.861 120.200 -0.010 0.000 2.194 35 E HA 0.525 4.874 4.350 -0.000 0.000 0.284 35 E C -0.635 175.897 176.600 -0.113 0.000 1.035 35 E CA -0.569 55.802 56.400 -0.048 0.000 0.836 35 E CB 0.585 30.259 29.700 -0.044 0.000 1.070 35 E HN 0.629 nan 8.360 nan 0.000 0.401 36 A N 3.678 126.400 122.820 -0.164 0.000 2.413 36 A HA 0.639 4.958 4.320 -0.000 0.000 0.307 36 A C -1.225 176.109 177.584 -0.416 0.000 1.087 36 A CA -0.684 51.146 52.037 -0.344 0.000 0.750 36 A CB 1.805 20.520 19.000 -0.474 0.000 1.296 36 A HN 0.414 nan 8.150 nan 0.000 0.423 37 V N 1.166 120.773 119.914 -0.511 0.000 2.588 37 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 37 V C -1.395 174.395 176.094 -0.507 0.000 1.042 37 V CA -0.312 61.760 62.300 -0.380 0.000 0.877 37 V CB 1.269 33.004 31.823 -0.147 0.000 0.996 37 V HN 0.689 nan 8.190 nan 0.000 0.425 38 F N 2.306 122.260 119.950 0.006 0.000 2.361 38 F HA 0.485 5.011 4.527 -0.000 0.000 0.364 38 F C 0.658 176.472 175.800 0.024 0.000 1.120 38 F CA -0.455 57.554 58.000 0.016 0.000 1.102 38 F CB 1.172 40.176 39.000 0.007 0.000 1.183 38 F HN 0.371 nan 8.300 nan 0.000 0.476 39 E N 3.340 123.632 120.200 0.154 0.000 2.055 39 E HA 0.152 4.502 4.350 -0.000 0.000 0.274 39 E C -0.353 176.317 176.600 0.117 0.000 0.949 39 E CA -0.432 56.035 56.400 0.111 0.000 0.775 39 E CB 0.752 30.499 29.700 0.078 0.000 1.097 39 E HN 0.631 nan 8.360 nan 0.000 0.404 40 N N 1.665 120.426 118.700 0.102 0.000 2.263 40 N HA 0.411 5.151 4.740 -0.000 0.000 0.239 40 N C -1.126 174.423 175.510 0.065 0.000 1.317 40 N CA 0.436 53.535 53.050 0.081 0.000 0.909 40 N CB 0.537 39.060 38.487 0.061 0.000 1.171 40 N HN 0.524 nan 8.380 nan 0.000 0.492 41 A N -0.098 122.753 122.820 0.051 0.000 2.601 41 A HA 0.367 4.686 4.320 -0.000 0.000 0.303 41 A C -1.719 175.882 177.584 0.028 0.000 1.004 41 A CA -0.749 51.313 52.037 0.041 0.000 0.742 41 A CB -0.113 18.917 19.000 0.049 0.000 1.250 41 A HN 0.419 nan 8.150 nan 0.000 0.406 42 L N 2.414 123.648 121.223 0.018 0.000 2.453 42 L HA 0.715 5.055 4.340 -0.000 0.000 0.261 42 L C 0.391 177.254 176.870 -0.013 0.000 1.179 42 L CA 0.033 54.874 54.840 0.002 0.000 0.813 42 L CB 0.737 42.797 42.059 0.001 0.000 1.110 42 L HN 0.712 nan 8.230 nan 0.000 0.466 43 I N -0.319 120.227 120.570 -0.040 0.000 2.842 43 I HA 0.493 4.663 4.170 -0.000 0.000 0.296 43 I C 0.298 176.339 176.117 -0.127 0.000 1.538 43 I CA 0.465 61.727 61.300 -0.063 0.000 0.994 43 I CB 1.358 39.335 38.000 -0.038 0.000 1.372 43 I HN 0.660 nan 8.210 nan 0.000 0.478 44 G N 4.258 112.958 108.800 -0.167 0.000 2.578 44 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.275 44 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.275 44 G C 0.919 175.532 174.900 -0.478 0.000 1.271 44 G CA 0.549 45.475 45.100 -0.290 0.000 0.941 44 G HN 1.589 nan 8.290 nan 0.000 0.564 45 G N -0.389 107.875 108.800 -0.893 0.000 2.562 45 G HA2 0.106 4.066 3.960 -0.000 0.000 0.223 45 G HA3 0.106 4.066 3.960 -0.000 0.000 0.223 45 G C 2.069 176.663 174.900 -0.510 0.000 1.102 45 G CA 3.080 47.203 45.100 -1.629 0.000 0.742 45 G HN 1.958 nan 8.290 nan 0.000 0.587 46 A N 0.673 123.350 122.820 -0.239 0.000 1.929 46 A HA 0.424 4.743 4.320 -0.000 0.000 0.216 46 A C 2.745 180.319 177.584 -0.017 0.000 1.176 46 A CA 1.974 53.998 52.037 -0.021 0.000 0.628 46 A CB -0.498 18.495 19.000 -0.010 0.000 0.816 46 A HN 0.745 nan 8.150 nan 0.000 0.444 47 A N -0.191 122.582 122.820 -0.079 0.000 1.930 47 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 47 A C 2.047 179.612 177.584 -0.032 0.000 1.176 47 A CA 1.058 53.068 52.037 -0.045 0.000 0.632 47 A CB -0.484 18.481 19.000 -0.059 0.000 0.819 47 A HN 0.444 nan 8.150 nan 0.000 0.445 48 I N 0.124 120.642 120.570 -0.088 0.000 2.208 48 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 48 I C 1.571 177.752 176.117 0.107 0.000 1.097 48 I CA 1.634 62.920 61.300 -0.024 0.000 1.363 48 I CB -0.438 37.480 38.000 -0.137 0.000 1.051 48 I HN 0.209 nan 8.210 nan 0.000 0.413 49 D N 0.356 120.865 120.400 0.180 0.000 2.310 49 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 49 D C 1.785 178.154 176.300 0.114 0.000 0.965 49 D CA 0.924 55.050 54.000 0.210 0.000 0.879 49 D CB -0.016 40.945 40.800 0.269 0.000 0.921 49 D HN 0.281 nan 8.370 nan 0.000 0.510 50 E N -1.170 119.076 120.200 0.077 0.000 2.538 50 E HA 0.380 4.730 4.350 -0.000 0.000 0.207 50 E C 0.138 176.762 176.600 0.039 0.000 1.002 50 E CA -0.067 56.365 56.400 0.052 0.000 0.952 50 E CB 1.266 30.991 29.700 0.042 0.000 1.031 50 E HN 0.119 nan 8.360 nan 0.000 0.476 51 A N -0.970 121.873 122.820 0.039 0.000 2.441 51 A HA 0.341 4.660 4.320 -0.000 0.000 0.209 51 A C 1.090 178.692 177.584 0.030 0.000 1.645 51 A CA 0.273 52.327 52.037 0.029 0.000 1.362 51 A CB -0.542 18.469 19.000 0.018 0.000 1.035 51 A HN 0.117 nan 8.150 nan 0.000 0.487 52 G N -0.293 108.534 108.800 0.045 0.000 2.244 52 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.274 52 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.274 52 G C 0.433 175.352 174.900 0.031 0.000 1.002 52 G CA 1.672 46.803 45.100 0.051 0.000 0.740 52 G HN 1.838 nan 8.290 nan 0.000 0.516 53 T N -0.929 113.631 114.554 0.010 0.000 2.952 53 T HA 0.653 5.003 4.350 -0.000 0.000 0.305 53 T C -1.398 173.276 174.700 -0.043 0.000 1.064 53 T CA -0.820 61.274 62.100 -0.010 0.000 1.008 53 T CB 2.308 71.174 68.868 -0.004 0.000 1.078 53 T HN -0.107 nan 8.240 nan 0.000 0.459 54 P HA 0.098 nan 4.420 nan 0.000 0.225 54 P C 0.328 177.584 177.300 -0.074 0.000 1.156 54 P CA 0.307 63.342 63.100 -0.107 0.000 0.787 54 P CB 0.300 31.930 31.700 -0.116 0.000 0.802 55 L N 2.092 123.289 121.223 -0.042 0.000 2.457 55 L HA 0.511 4.851 4.340 -0.000 0.000 0.252 55 L C -2.624 174.239 176.870 -0.012 0.000 1.132 55 L CA -2.893 51.932 54.840 -0.025 0.000 0.938 55 L CB 0.789 42.839 42.059 -0.015 0.000 1.246 55 L HN -0.240 nan 8.230 nan 0.000 0.476 56 P HA 0.001 nan 4.420 nan 0.000 0.269 56 P C 0.203 177.505 177.300 0.004 0.000 1.211 56 P CA 0.128 63.227 63.100 -0.001 0.000 0.781 56 P CB 1.174 32.874 31.700 0.001 0.000 0.877 57 E N 1.149 121.353 120.200 0.006 0.000 2.077 57 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 57 E C 1.900 178.505 176.600 0.009 0.000 0.989 57 E CA 1.598 58.002 56.400 0.007 0.000 0.800 57 E CB -0.502 29.202 29.700 0.006 0.000 0.746 57 E HN 0.636 nan 8.360 nan 0.000 0.452 58 E N -0.935 119.272 120.200 0.012 0.000 2.153 58 E HA -0.159 4.190 4.350 -0.000 0.000 0.194 58 E C 1.558 178.170 176.600 0.020 0.000 0.988 58 E CA 1.502 57.911 56.400 0.015 0.000 0.811 58 E CB -0.013 29.697 29.700 0.017 0.000 0.746 58 E HN 0.196 nan 8.360 nan 0.000 0.466 59 T N 1.297 115.863 114.554 0.020 0.000 2.746 59 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 59 T C 1.799 176.519 174.700 0.032 0.000 1.039 59 T CA 1.048 63.165 62.100 0.027 0.000 1.142 59 T CB -0.115 68.766 68.868 0.021 0.000 0.866 59 T HN 0.180 nan 8.240 nan 0.000 0.444 60 L N 0.913 122.150 121.223 0.022 0.000 2.046 60 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 60 L C 2.501 179.377 176.870 0.010 0.000 1.077 60 L CA 1.199 56.050 54.840 0.018 0.000 0.747 60 L CB -0.625 41.438 42.059 0.007 0.000 0.896 60 L HN 0.236 nan 8.230 nan 0.000 0.432 61 D N 0.463 120.868 120.400 0.009 0.000 2.097 61 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 61 D C 2.288 178.597 176.300 0.015 0.000 0.989 61 D CA 1.332 55.335 54.000 0.004 0.000 0.827 61 D CB -0.114 40.690 40.800 0.007 0.000 0.966 61 D HN 0.344 nan 8.370 nan 0.000 0.456 62 I N 0.997 121.586 120.570 0.031 0.000 2.208 62 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 62 I C 2.595 178.755 176.117 0.070 0.000 1.097 62 I CA 0.743 62.072 61.300 0.048 0.000 1.363 62 I CB -0.369 37.665 38.000 0.056 0.000 1.051 62 I HN 0.079 nan 8.210 nan 0.000 0.413 63 C N 0.772 120.120 119.300 0.080 0.000 2.436 63 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 63 C C 2.893 177.913 174.990 0.050 0.000 1.241 63 C CA 0.678 59.779 59.018 0.139 0.000 1.721 63 C CB -1.197 26.640 27.740 0.161 0.000 2.043 63 C HN 0.439 nan 8.230 nan 0.000 0.472 64 R N 0.642 121.108 120.500 -0.056 0.000 2.139 64 R HA -0.161 4.179 4.340 -0.000 0.000 0.243 64 R C 2.300 178.543 176.300 -0.096 0.000 1.145 64 R CA 1.416 57.422 56.100 -0.158 0.000 0.976 64 R CB -0.349 29.885 30.300 -0.110 0.000 0.866 64 R HN 0.631 nan 8.270 nan 0.000 0.449 65 R N 0.374 120.865 120.500 -0.015 0.000 2.075 65 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 65 R C 0.877 177.210 176.300 0.056 0.000 1.126 65 R CA 0.684 56.793 56.100 0.014 0.000 0.963 65 R CB -0.086 30.230 30.300 0.027 0.000 0.858 65 R HN 0.036 nan 8.270 nan 0.000 0.435 66 S N 1.033 116.802 115.700 0.115 0.000 2.593 66 S HA 0.005 4.475 4.470 -0.000 0.000 0.269 66 S C 0.456 175.255 174.600 0.332 0.000 1.334 66 S CA -0.451 57.873 58.200 0.208 0.000 1.015 66 S CB 0.816 64.164 63.200 0.247 0.000 0.912 66 S HN 0.181 nan 8.310 nan 0.000 0.541 67 D N 0.584 121.183 120.400 0.332 0.000 2.323 67 D HA 0.312 4.952 4.640 -0.000 0.000 0.209 67 D C 0.437 176.927 176.300 0.317 0.000 0.973 67 D CA 0.577 54.792 54.000 0.358 0.000 0.874 67 D CB 0.238 41.259 40.800 0.367 0.000 0.930 67 D HN 0.542 nan 8.370 nan 0.000 0.521 68 A N -0.011 122.948 122.820 0.231 0.000 2.567 68 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 68 A C -1.637 175.935 177.584 -0.019 0.000 1.048 68 A CA -0.681 51.241 52.037 -0.193 0.000 0.661 68 A CB 0.767 19.733 19.000 -0.058 0.000 1.288 68 A HN -0.006 nan 8.150 nan 0.000 0.424 69 I N 1.041 121.534 120.570 -0.130 0.000 2.433 69 I HA 0.442 4.612 4.170 -0.000 0.000 0.292 69 I C -0.709 175.485 176.117 0.129 0.000 1.001 69 I CA -0.503 60.825 61.300 0.048 0.000 1.119 69 I CB 1.760 39.780 38.000 0.034 0.000 1.289 69 I HN 0.554 nan 8.210 nan 0.000 0.438 70 L N 7.030 128.335 121.223 0.137 0.000 2.294 70 L HA 0.484 4.824 4.340 -0.000 0.000 0.283 70 L C -1.161 175.764 176.870 0.092 0.000 1.015 70 L CA -0.752 54.172 54.840 0.139 0.000 0.831 70 L CB 1.492 43.634 42.059 0.138 0.000 1.217 70 L HN 0.458 nan 8.230 nan 0.000 0.420 71 L N 4.198 125.463 121.223 0.069 0.000 2.317 71 L HA 0.666 5.006 4.340 -0.000 0.000 0.281 71 L C 0.581 177.455 176.870 0.006 0.000 1.024 71 L CA 0.152 55.009 54.840 0.029 0.000 0.810 71 L CB 1.790 43.853 42.059 0.007 0.000 1.240 71 L HN 0.524 nan 8.230 nan 0.000 0.427 72 G N 3.144 111.943 108.800 -0.000 0.000 2.620 72 G HA2 0.571 4.531 3.960 -0.000 0.000 0.200 72 G HA3 0.571 4.531 3.960 -0.000 0.000 0.200 72 G C -0.455 174.419 174.900 -0.043 0.000 1.710 72 G CA 0.424 45.517 45.100 -0.010 0.000 0.919 72 G HN 1.037 nan 8.290 nan 0.000 0.455 73 A N -1.755 121.053 122.820 -0.020 0.000 2.612 73 A HA 0.662 4.982 4.320 -0.000 0.000 0.293 73 A C -0.996 176.576 177.584 -0.021 0.000 1.075 73 A CA 0.089 52.111 52.037 -0.025 0.000 0.680 73 A CB 1.372 20.380 19.000 0.014 0.000 1.279 73 A HN 1.773 nan 8.150 nan 0.000 0.411 74 V N -1.576 118.317 119.914 -0.035 0.000 3.040 74 V HA 1.054 5.174 4.120 -0.000 0.000 0.312 74 V C 0.108 176.171 176.094 -0.051 0.000 1.115 74 V CA 0.021 62.276 62.300 -0.074 0.000 0.998 74 V CB 1.139 32.895 31.823 -0.111 0.000 1.042 74 V HN 2.862 nan 8.190 nan 0.000 0.433 75 G N -0.120 108.629 108.800 -0.085 0.000 2.340 75 G HA2 0.643 4.602 3.960 -0.000 0.000 0.527 75 G HA3 0.643 4.602 3.960 -0.000 0.000 0.527 75 G C -0.289 174.728 174.900 0.195 0.000 1.381 75 G CA -0.061 45.049 45.100 0.017 0.000 1.001 75 G HN 2.788 nan 8.290 nan 0.000 0.626 76 G N -0.846 108.158 108.800 0.339 0.000 2.368 76 G HA2 0.630 4.590 3.960 -0.000 0.000 0.303 76 G HA3 0.630 4.590 3.960 -0.000 0.000 0.303 76 G C -2.276 172.812 174.900 0.313 0.000 1.590 76 G CA 0.432 45.816 45.100 0.473 0.000 0.938 76 G HN 0.637 nan 8.290 nan 0.000 0.675 77 P HA 0.020 nan 4.420 nan 0.000 0.221 77 P C 1.651 178.832 177.300 -0.198 0.000 1.150 77 P CA 0.893 63.960 63.100 -0.055 0.000 0.800 77 P CB 0.265 31.922 31.700 -0.071 0.000 0.787 78 K N -0.897 119.215 120.400 -0.480 0.000 2.360 78 K HA -0.132 4.188 4.320 -0.000 0.000 0.201 78 K C 0.574 176.674 176.600 -0.834 0.000 1.046 78 K CA 1.116 56.888 56.287 -0.858 0.000 0.940 78 K CB -0.163 31.441 32.500 -1.494 0.000 0.748 78 K HN 0.248 nan 8.250 nan 0.000 0.465 79 W N 0.365 121.654 121.300 -0.018 0.000 2.684 79 W HA 0.134 4.794 4.660 -0.000 0.000 0.381 79 W C 0.026 176.517 176.519 -0.046 0.000 0.975 79 W CA -0.573 56.765 57.345 -0.010 0.000 1.789 79 W CB 0.308 29.766 29.460 -0.004 0.000 1.161 79 W HN 0.035 nan 8.180 nan 0.000 0.564 80 D N -0.321 120.093 120.400 0.022 0.000 2.309 80 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 80 D C 1.729 177.929 176.300 -0.166 0.000 0.968 80 D CA 1.383 55.320 54.000 -0.105 0.000 0.882 80 D CB -0.005 40.656 40.800 -0.233 0.000 0.918 80 D HN 0.193 nan 8.370 nan 0.000 0.503 81 H N -0.466 118.634 119.070 0.050 0.000 2.563 81 H HA 0.164 4.720 4.556 -0.000 0.000 0.264 81 H C 0.352 175.708 175.328 0.047 0.000 0.957 81 H CA -0.006 56.062 56.048 0.033 0.000 1.173 81 H CB 0.159 29.927 29.762 0.009 0.000 1.420 81 H HN 0.036 nan 8.280 nan 0.000 0.551 82 N N 2.962 121.765 118.700 0.172 0.000 2.444 82 N HA 0.069 4.808 4.740 -0.000 0.000 0.255 82 N C -2.199 173.369 175.510 0.096 0.000 1.255 82 N CA -1.222 51.910 53.050 0.138 0.000 0.933 82 N CB 0.159 38.748 38.487 0.170 0.000 1.143 82 N HN 0.139 nan 8.380 nan 0.000 0.453 83 P HA 0.064 nan 4.420 nan 0.000 0.275 83 P C 0.064 177.386 177.300 0.037 0.000 1.228 83 P CA -0.214 62.914 63.100 0.047 0.000 0.786 83 P CB 0.707 32.428 31.700 0.036 0.000 0.927 84 A N 3.693 126.526 122.820 0.022 0.000 1.906 84 A HA -0.299 4.021 4.320 -0.000 0.000 0.222 84 A C 2.214 179.799 177.584 0.003 0.000 1.282 84 A CA 3.342 55.384 52.037 0.009 0.000 0.675 84 A CB -2.072 16.925 19.000 -0.005 0.000 0.838 84 A HN 0.704 nan 8.150 nan 0.000 0.469 85 S N -1.064 114.637 115.700 0.002 0.000 2.547 85 S HA 0.156 4.626 4.470 -0.000 0.000 0.235 85 S C 0.882 175.482 174.600 -0.001 0.000 0.980 85 S CA 0.993 59.192 58.200 -0.003 0.000 0.941 85 S CB -0.347 62.852 63.200 -0.001 0.000 0.763 85 S HN 0.415 nan 8.310 nan 0.000 0.532 86 L N 1.142 122.373 121.223 0.013 0.000 3.094 86 L HA 0.466 4.805 4.340 -0.000 0.000 0.254 86 L C 0.524 177.410 176.870 0.026 0.000 1.298 86 L CA -0.219 54.634 54.840 0.021 0.000 1.050 86 L CB 0.054 42.141 42.059 0.047 0.000 1.420 86 L HN 0.153 nan 8.230 nan 0.000 0.548 87 R N -0.530 119.963 120.500 -0.013 0.000 2.905 87 R HA 0.396 4.736 4.340 -0.000 0.000 0.260 87 R C -1.879 174.337 176.300 -0.142 0.000 1.086 87 R CA -1.671 54.407 56.100 -0.036 0.000 0.978 87 R CB 1.613 31.927 30.300 0.022 0.000 1.215 87 R HN -0.281 nan 8.270 nan 0.000 0.480 88 P HA -0.169 nan 4.420 nan 0.000 0.213 88 P C 0.382 177.596 177.300 -0.142 0.000 1.170 88 P CA 1.391 64.329 63.100 -0.270 0.000 0.898 88 P CB 0.245 31.756 31.700 -0.316 0.000 0.787 89 E N -0.175 119.972 120.200 -0.088 0.000 2.197 89 E HA -0.238 4.112 4.350 -0.000 0.000 0.205 89 E C 1.805 178.377 176.600 -0.048 0.000 1.029 89 E CA 1.413 57.780 56.400 -0.055 0.000 0.828 89 E CB -0.741 28.939 29.700 -0.034 0.000 0.737 89 E HN 0.200 nan 8.360 nan 0.000 0.464 90 K N -0.285 120.085 120.400 -0.050 0.000 2.288 90 K HA 0.048 4.368 4.320 -0.000 0.000 0.201 90 K C 2.113 178.691 176.600 -0.035 0.000 1.048 90 K CA 1.013 57.279 56.287 -0.036 0.000 0.956 90 K CB -0.563 31.919 32.500 -0.030 0.000 0.746 90 K HN 0.307 nan 8.250 nan 0.000 0.461 91 G N 1.279 110.046 108.800 -0.055 0.000 2.422 91 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 91 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 91 G C 1.543 176.426 174.900 -0.028 0.000 1.146 91 G CA 0.421 45.493 45.100 -0.047 0.000 0.769 91 G HN 0.117 nan 8.290 nan 0.000 0.547 92 L N 0.359 121.562 121.223 -0.032 0.000 1.961 92 L HA 0.068 4.408 4.340 -0.000 0.000 0.210 92 L C 2.971 179.839 176.870 -0.003 0.000 1.072 92 L CA 1.224 56.053 54.840 -0.019 0.000 0.749 92 L CB -0.774 41.269 42.059 -0.027 0.000 0.889 92 L HN 0.166 nan 8.230 nan 0.000 0.432 93 L N -1.168 120.055 121.223 0.000 0.000 2.043 93 L HA -0.215 4.124 4.340 -0.000 0.000 0.212 93 L C 2.491 179.377 176.870 0.028 0.000 1.075 93 L CA 1.445 56.297 54.840 0.021 0.000 0.752 93 L CB -1.426 40.644 42.059 0.019 0.000 0.891 93 L HN 0.467 nan 8.230 nan 0.000 0.432 94 G N 0.232 109.041 108.800 0.015 0.000 2.433 94 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.216 94 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.216 94 G C 1.550 176.465 174.900 0.024 0.000 1.186 94 G CA 0.782 45.894 45.100 0.019 0.000 0.779 94 G HN 0.221 nan 8.290 nan 0.000 0.543 95 L N 0.625 121.861 121.223 0.021 0.000 2.131 95 L HA 0.059 4.399 4.340 -0.000 0.000 0.210 95 L C 2.743 179.640 176.870 0.045 0.000 1.092 95 L CA 2.068 56.929 54.840 0.034 0.000 0.759 95 L CB -0.513 41.565 42.059 0.032 0.000 0.903 95 L HN 0.275 nan 8.230 nan 0.000 0.435 96 R N -0.264 120.255 120.500 0.033 0.000 2.070 96 R HA -0.225 4.115 4.340 -0.000 0.000 0.232 96 R C 2.471 178.798 176.300 0.046 0.000 1.138 96 R CA 2.058 58.177 56.100 0.031 0.000 0.936 96 R CB -0.316 29.999 30.300 0.024 0.000 0.839 96 R HN 0.423 nan 8.270 nan 0.000 0.429 97 K N 0.222 120.653 120.400 0.052 0.000 2.002 97 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 97 K C 1.964 178.592 176.600 0.046 0.000 1.048 97 K CA 1.922 58.243 56.287 0.057 0.000 0.930 97 K CB -0.170 32.369 32.500 0.065 0.000 0.714 97 K HN 0.029 nan 8.250 nan 0.000 0.438 98 E N 0.319 120.542 120.200 0.038 0.000 2.171 98 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 98 E C 1.487 178.099 176.600 0.021 0.000 0.997 98 E CA 1.483 57.899 56.400 0.026 0.000 0.810 98 E CB 0.027 29.740 29.700 0.022 0.000 0.738 98 E HN 0.348 nan 8.360 nan 0.000 0.467 99 M N -1.370 118.257 119.600 0.045 0.000 2.428 99 M HA 0.268 4.747 4.480 -0.000 0.000 0.239 99 M C 1.157 177.494 176.300 0.061 0.000 1.121 99 M CA 0.825 56.157 55.300 0.053 0.000 1.019 99 M CB -0.262 32.451 32.600 0.188 0.000 1.485 99 M HN 0.233 nan 8.290 nan 0.000 0.484 100 G N 2.272 111.107 108.800 0.059 0.000 2.273 100 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.280 100 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.280 100 G C -0.039 174.921 174.900 0.099 0.000 1.047 100 G CA -0.050 45.099 45.100 0.082 0.000 0.869 100 G HN 0.466 nan 8.290 nan 0.000 0.502 101 L N -0.060 121.188 121.223 0.041 0.000 2.313 101 L HA 0.492 4.832 4.340 -0.000 0.000 0.282 101 L C 1.547 178.394 176.870 -0.038 0.000 1.092 101 L CA -0.672 54.120 54.840 -0.080 0.000 0.831 101 L CB 0.293 42.296 42.059 -0.094 0.000 1.159 101 L HN 0.312 nan 8.230 nan 0.000 0.442 102 F N 0.826 120.765 119.950 -0.019 0.000 2.682 102 F HA 0.601 5.128 4.527 -0.001 0.000 0.308 102 F C 0.588 176.378 175.800 -0.016 0.000 1.093 102 F CA -0.825 57.163 58.000 -0.020 0.000 1.244 102 F CB 0.090 39.077 39.000 -0.021 0.000 1.052 102 F HN 0.262 nan 8.300 nan 0.000 0.573 103 A N 1.604 124.229 122.820 -0.324 0.000 2.304 103 A HA 0.569 4.889 4.320 -0.000 0.000 0.314 103 A C -1.204 176.281 177.584 -0.164 0.000 1.187 103 A CA -0.614 51.322 52.037 -0.168 0.000 0.810 103 A CB 0.337 19.157 19.000 -0.300 0.000 1.183 103 A HN 0.304 nan 8.150 nan 0.000 0.487 104 N N 2.622 121.283 118.700 -0.066 0.000 2.425 104 N HA 0.518 5.258 4.740 -0.000 0.000 0.268 104 N C -1.161 174.307 175.510 -0.070 0.000 0.991 104 N CA -0.220 52.788 53.050 -0.070 0.000 0.931 104 N CB 0.504 38.983 38.487 -0.013 0.000 1.130 104 N HN 0.534 nan 8.380 nan 0.000 0.493 105 L N 3.834 124.997 121.223 -0.099 0.000 2.305 105 L HA 0.545 4.885 4.340 -0.000 0.000 0.284 105 L C 0.021 176.881 176.870 -0.018 0.000 1.013 105 L CA -0.874 53.920 54.840 -0.076 0.000 0.819 105 L CB 1.306 43.282 42.059 -0.139 0.000 1.227 105 L HN 0.389 nan 8.230 nan 0.000 0.417 106 R N 3.547 124.047 120.500 0.001 0.000 2.352 106 R HA 0.400 4.739 4.340 -0.000 0.000 0.304 106 R C -2.706 173.618 176.300 0.040 0.000 1.104 106 R CA -1.943 54.172 56.100 0.025 0.000 0.991 106 R CB 1.622 31.931 30.300 0.016 0.000 1.140 106 R HN 0.261 nan 8.270 nan 0.000 0.540 107 P HA 0.242 nan 4.420 nan 0.000 0.285 107 P C -0.531 176.815 177.300 0.076 0.000 1.259 107 P CA -0.462 62.686 63.100 0.080 0.000 0.794 107 P CB 1.285 33.056 31.700 0.118 0.000 0.940 108 V N 3.992 123.942 119.914 0.060 0.000 2.443 108 V HA 0.436 4.556 4.120 -0.000 0.000 0.293 108 V C 0.022 176.140 176.094 0.040 0.000 1.021 108 V CA -0.406 61.932 62.300 0.062 0.000 0.848 108 V CB 1.357 33.209 31.823 0.048 0.000 0.998 108 V HN 0.451 nan 8.190 nan 0.000 0.424 109 K N 3.127 123.546 120.400 0.031 0.000 2.375 109 K HA 0.857 5.177 4.320 -0.000 0.000 0.249 109 K C -0.450 176.048 176.600 -0.170 0.000 0.942 109 K CA -0.602 55.627 56.287 -0.096 0.000 0.806 109 K CB 2.200 34.589 32.500 -0.185 0.000 1.227 109 K HN 0.763 nan 8.250 nan 0.000 0.430 110 A N 2.985 125.674 122.820 -0.218 0.000 2.328 110 A HA 0.403 4.723 4.320 -0.000 0.000 0.284 110 A C -1.503 175.876 177.584 -0.340 0.000 1.160 110 A CA -0.182 51.759 52.037 -0.161 0.000 0.818 110 A CB -0.017 18.936 19.000 -0.077 0.000 1.087 110 A HN 0.619 nan 8.150 nan 0.000 0.504 111 Y N 2.084 122.398 120.300 0.023 0.000 2.328 111 Y HA 0.436 4.986 4.550 0.000 0.000 0.333 111 Y C 1.344 177.254 175.900 0.017 0.000 0.958 111 Y CA 0.158 58.271 58.100 0.021 0.000 1.167 111 Y CB 1.708 40.182 38.460 0.024 0.000 1.151 111 Y HN 0.879 nan 8.280 nan 0.000 0.470 112 A N 1.790 124.678 122.820 0.114 0.000 1.906 112 A HA -0.335 3.985 4.320 -0.000 0.000 0.222 112 A C 2.138 179.768 177.584 0.076 0.000 1.282 112 A CA 2.944 55.025 52.037 0.073 0.000 0.675 112 A CB -1.336 17.698 19.000 0.057 0.000 0.838 112 A HN 0.824 nan 8.150 nan 0.000 0.469 113 T N -2.561 112.046 114.554 0.088 0.000 3.215 113 T HA 0.334 4.684 4.350 -0.000 0.000 0.254 113 T C 1.147 175.881 174.700 0.057 0.000 1.149 113 T CA 1.007 63.141 62.100 0.057 0.000 1.042 113 T CB -0.230 68.660 68.868 0.037 0.000 0.966 113 T HN 0.338 nan 8.240 nan 0.000 0.534 114 L N -0.620 120.657 121.223 0.089 0.000 2.609 114 L HA 0.384 4.724 4.340 -0.000 0.000 0.230 114 L C 2.141 179.050 176.870 0.065 0.000 1.087 114 L CA -0.022 54.865 54.840 0.079 0.000 0.874 114 L CB -0.114 42.018 42.059 0.122 0.000 1.114 114 L HN 0.225 nan 8.230 nan 0.000 0.488 115 L N 1.126 122.386 121.223 0.062 0.000 2.043 115 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 115 L C 2.499 179.388 176.870 0.032 0.000 1.075 115 L CA 1.715 56.582 54.840 0.044 0.000 0.752 115 L CB -0.875 41.205 42.059 0.035 0.000 0.891 115 L HN 0.548 nan 8.230 nan 0.000 0.432 116 N N 1.205 119.921 118.700 0.027 0.000 2.258 116 N HA -0.216 4.524 4.740 -0.000 0.000 0.187 116 N C 1.559 177.080 175.510 0.018 0.000 1.012 116 N CA 1.733 54.794 53.050 0.018 0.000 0.870 116 N CB -0.233 38.261 38.487 0.013 0.000 0.977 116 N HN 0.372 nan 8.380 nan 0.000 0.434 117 A N -0.093 122.741 122.820 0.024 0.000 2.218 117 A HA 0.119 4.439 4.320 -0.000 0.000 0.209 117 A C 1.167 178.767 177.584 0.026 0.000 1.168 117 A CA -0.031 52.020 52.037 0.023 0.000 0.804 117 A CB -0.173 18.841 19.000 0.024 0.000 0.834 117 A HN 0.362 nan 8.150 nan 0.000 0.482 118 S N 0.036 115.754 115.700 0.030 0.000 2.565 118 S HA 0.382 4.852 4.470 -0.000 0.000 0.274 118 S C -1.525 173.090 174.600 0.024 0.000 1.309 118 S CA -1.232 56.986 58.200 0.030 0.000 1.043 118 S CB 0.896 64.116 63.200 0.034 0.000 0.939 118 S HN 0.134 nan 8.310 nan 0.000 0.504 119 P HA 0.065 nan 4.420 nan 0.000 0.222 119 P C -0.287 177.023 177.300 0.018 0.000 1.147 119 P CA 0.771 63.882 63.100 0.019 0.000 0.790 119 P CB 0.076 31.787 31.700 0.019 0.000 0.780 120 L N -0.490 120.745 121.223 0.020 0.000 2.421 120 L HA 0.220 4.560 4.340 -0.000 0.000 0.263 120 L C 0.807 177.687 176.870 0.016 0.000 1.122 120 L CA -0.925 53.926 54.840 0.019 0.000 0.804 120 L CB 0.518 42.590 42.059 0.022 0.000 1.150 120 L HN -0.230 nan 8.230 nan 0.000 0.457 121 K N 1.334 121.741 120.400 0.013 0.000 2.368 121 K HA 0.051 4.371 4.320 -0.000 0.000 0.282 121 K C 0.901 177.508 176.600 0.011 0.000 1.035 121 K CA -0.107 56.186 56.287 0.011 0.000 0.973 121 K CB 1.059 33.563 32.500 0.008 0.000 0.957 121 K HN 0.472 nan 8.250 nan 0.000 0.474 122 R N 3.418 123.924 120.500 0.011 0.000 2.159 122 R HA -0.315 4.025 4.340 -0.000 0.000 0.249 122 R C 1.789 178.093 176.300 0.007 0.000 1.136 122 R CA 2.619 58.725 56.100 0.011 0.000 0.951 122 R CB -0.174 30.132 30.300 0.010 0.000 0.876 122 R HN 0.863 nan 8.270 nan 0.000 0.440 123 E N -0.195 120.008 120.200 0.004 0.000 2.147 123 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 123 E C 1.840 178.440 176.600 0.000 0.000 1.005 123 E CA 1.243 57.643 56.400 0.001 0.000 0.810 123 E CB -0.339 29.360 29.700 -0.001 0.000 0.736 123 E HN 0.359 nan 8.360 nan 0.000 0.460 124 R N 0.706 121.209 120.500 0.004 0.000 2.092 124 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 124 R C 2.520 178.826 176.300 0.011 0.000 1.119 124 R CA 1.650 57.754 56.100 0.007 0.000 0.970 124 R CB -0.332 29.975 30.300 0.012 0.000 0.864 124 R HN 0.459 nan 8.270 nan 0.000 0.440 125 V N -1.236 118.686 119.914 0.013 0.000 3.556 125 V HA 0.091 4.211 4.120 -0.000 0.000 0.287 125 V C 1.812 177.910 176.094 0.006 0.000 1.422 125 V CA 0.354 62.664 62.300 0.016 0.000 1.038 125 V CB 0.165 32.003 31.823 0.025 0.000 0.850 125 V HN 0.212 nan 8.190 nan 0.000 0.437 126 E N 1.562 121.763 120.200 0.002 0.000 2.219 126 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 126 E C 1.162 177.751 176.600 -0.018 0.000 0.998 126 E CA 1.887 58.284 56.400 -0.005 0.000 0.818 126 E CB -0.450 29.248 29.700 -0.003 0.000 0.741 126 E HN 0.630 nan 8.360 nan 0.000 0.477 127 N N 0.670 119.361 118.700 -0.016 0.000 2.203 127 N HA 0.105 4.845 4.740 -0.000 0.000 0.207 127 N C -0.522 174.976 175.510 -0.020 0.000 1.130 127 N CA -0.042 52.994 53.050 -0.023 0.000 0.861 127 N CB 1.086 39.561 38.487 -0.020 0.000 1.005 127 N HN -0.029 nan 8.380 nan 0.000 0.507 128 V N 1.990 121.898 119.914 -0.010 0.000 2.617 128 V HA -0.016 4.104 4.120 -0.000 0.000 0.304 128 V C 0.444 176.529 176.094 -0.015 0.000 1.040 128 V CA 0.613 62.918 62.300 0.008 0.000 1.149 128 V CB 0.556 32.394 31.823 0.025 0.000 0.914 128 V HN 0.177 nan 8.190 nan 0.000 0.487 129 D N 4.479 124.885 120.400 0.010 0.000 2.474 129 D HA 0.372 5.012 4.640 -0.000 0.000 0.234 129 D C -1.181 175.143 176.300 0.040 0.000 1.323 129 D CA -0.374 53.627 54.000 0.001 0.000 0.915 129 D CB 0.961 41.751 40.800 -0.018 0.000 1.487 129 D HN 0.349 nan 8.370 nan 0.000 0.524 130 L N -0.230 121.024 121.223 0.053 0.000 2.322 130 L HA 0.904 5.244 4.340 -0.000 0.000 0.252 130 L C -1.349 175.550 176.870 0.048 0.000 1.055 130 L CA -1.075 53.806 54.840 0.067 0.000 0.849 130 L CB 1.630 43.750 42.059 0.103 0.000 1.446 130 L HN -0.094 nan 8.230 nan 0.000 0.416 131 V N 1.351 121.284 119.914 0.033 0.000 2.612 131 V HA 0.489 4.609 4.120 -0.000 0.000 0.301 131 V C -0.537 175.545 176.094 -0.020 0.000 1.059 131 V CA -0.261 62.051 62.300 0.020 0.000 0.886 131 V CB 1.766 33.615 31.823 0.043 0.000 1.007 131 V HN 0.687 nan 8.190 nan 0.000 0.426 132 I N 4.749 125.300 120.570 -0.032 0.000 2.331 132 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 132 I C -0.427 175.670 176.117 -0.033 0.000 0.998 132 I CA -0.701 60.567 61.300 -0.054 0.000 1.267 132 I CB 1.833 39.793 38.000 -0.066 0.000 1.386 132 I HN 0.274 nan 8.210 nan 0.000 0.476 133 V N 7.504 127.403 119.914 -0.026 0.000 2.347 133 V HA 0.377 4.497 4.120 -0.000 0.000 0.280 133 V C 0.205 176.324 176.094 0.042 0.000 1.021 133 V CA -0.621 61.675 62.300 -0.007 0.000 0.847 133 V CB 1.370 33.186 31.823 -0.012 0.000 0.990 133 V HN 0.670 nan 8.190 nan 0.000 0.444 134 R N 3.609 124.136 120.500 0.045 0.000 2.393 134 R HA 0.338 4.678 4.340 -0.000 0.000 0.310 134 R C -0.221 176.157 176.300 0.129 0.000 0.968 134 R CA -0.639 55.507 56.100 0.077 0.000 0.867 134 R CB 1.249 31.581 30.300 0.052 0.000 1.124 134 R HN 0.678 nan 8.270 nan 0.000 0.450 135 E N 5.061 125.375 120.200 0.189 0.000 2.324 135 E HA -0.009 4.341 4.350 -0.000 0.000 0.271 135 E C 0.255 176.972 176.600 0.194 0.000 1.028 135 E CA 0.217 56.769 56.400 0.253 0.000 0.890 135 E CB 0.949 30.862 29.700 0.355 0.000 1.004 135 E HN 0.696 nan 8.360 nan 0.000 0.431 136 L N 3.106 124.437 121.223 0.180 0.000 2.463 136 L HA -0.029 4.311 4.340 -0.000 0.000 0.219 136 L C 2.179 179.050 176.870 0.001 0.000 1.088 136 L CA 0.995 55.912 54.840 0.129 0.000 0.849 136 L CB -0.000 42.129 42.059 0.118 0.000 1.012 136 L HN 0.543 nan 8.230 nan 0.000 0.468 137 T N -3.311 111.186 114.554 -0.094 0.000 3.010 137 T HA 0.149 4.498 4.350 -0.000 0.000 0.252 137 T C 1.168 175.350 174.700 -0.864 0.000 1.047 137 T CA 0.588 62.415 62.100 -0.455 0.000 1.140 137 T CB -0.015 68.719 68.868 -0.222 0.000 0.885 137 T HN 0.218 nan 8.240 nan 0.000 0.464 138 G N 0.204 108.713 108.800 -0.484 0.000 3.019 138 G HA2 0.581 4.541 3.960 -0.000 0.000 0.152 138 G HA3 0.581 4.541 3.960 -0.000 0.000 0.152 138 G C 0.567 175.043 174.900 -0.706 0.000 1.320 138 G CA -0.231 44.421 45.100 -0.747 0.000 1.013 138 G HN 1.184 nan 8.290 nan 0.000 0.593 139 G N -1.570 106.426 108.800 -1.341 0.000 2.725 139 G HA2 0.032 3.991 3.960 -0.000 0.000 0.220 139 G HA3 0.032 3.991 3.960 -0.000 0.000 0.220 139 G C 0.665 175.407 174.900 -0.263 0.000 1.357 139 G CA 0.208 44.902 45.100 -0.675 0.000 0.866 139 G HN 1.481 nan 8.290 nan 0.000 0.548 140 L N -0.534 120.569 121.223 -0.199 0.000 2.362 140 L HA 0.171 4.511 4.340 -0.000 0.000 0.219 140 L C 2.432 179.379 176.870 0.130 0.000 1.134 140 L CA 1.934 56.737 54.840 -0.062 0.000 0.807 140 L CB -0.538 41.458 42.059 -0.104 0.000 0.927 140 L HN 0.605 nan 8.230 nan 0.000 0.447 141 Y N -1.730 118.583 120.300 0.022 0.000 2.457 141 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 141 Y C 1.772 177.551 175.900 -0.201 0.000 1.125 141 Y CA 0.565 58.635 58.100 -0.049 0.000 1.254 141 Y CB -0.473 37.989 38.460 0.004 0.000 1.012 141 Y HN 0.192 nan 8.280 nan 0.000 0.555 142 F N -1.405 118.565 119.950 0.034 0.000 2.680 142 F HA 0.379 4.906 4.527 -0.000 0.000 0.290 142 F C 1.829 177.602 175.800 -0.044 0.000 1.114 142 F CA -0.508 57.482 58.000 -0.017 0.000 1.333 142 F CB -0.806 38.168 39.000 -0.043 0.000 1.091 142 F HN -0.215 nan 8.300 nan 0.000 0.606 143 G N 1.507 110.378 108.800 0.118 0.000 2.368 143 G HA2 0.213 4.173 3.960 -0.000 0.000 0.233 143 G HA3 0.213 4.173 3.960 -0.000 0.000 0.233 143 G C -0.302 174.613 174.900 0.025 0.000 1.267 143 G CA -0.070 45.051 45.100 0.036 0.000 0.873 143 G HN 0.169 nan 8.290 nan 0.000 0.539 144 R N 1.978 122.489 120.500 0.017 0.000 2.740 144 R HA 0.527 4.867 4.340 -0.000 0.000 0.282 144 R C -2.026 174.278 176.300 0.006 0.000 0.969 144 R CA -1.551 54.554 56.100 0.009 0.000 0.918 144 R CB 1.917 32.224 30.300 0.012 0.000 1.175 144 R HN 0.469 nan 8.270 nan 0.000 0.464 145 P HA 0.103 nan 4.420 nan 0.000 0.272 145 P C -1.093 176.206 177.300 -0.002 0.000 1.230 145 P CA -0.267 62.833 63.100 0.000 0.000 0.788 145 P CB 1.334 33.034 31.700 0.000 0.000 0.949 146 S N 0.473 116.169 115.700 -0.007 0.000 2.423 146 S HA 0.343 4.813 4.470 -0.000 0.000 0.213 146 S C -0.869 173.723 174.600 -0.014 0.000 1.131 146 S CA -0.573 57.620 58.200 -0.011 0.000 1.155 146 S CB -0.143 63.045 63.200 -0.020 0.000 1.202 146 S HN 0.656 nan 8.310 nan 0.000 0.441 147 E N 2.544 122.738 120.200 -0.010 0.000 2.432 147 E HA 0.441 4.791 4.350 -0.000 0.000 0.279 147 E C -1.439 175.157 176.600 -0.007 0.000 1.099 147 E CA -1.288 55.106 56.400 -0.010 0.000 0.859 147 E CB 0.948 30.644 29.700 -0.008 0.000 1.402 147 E HN 0.421 nan 8.360 nan 0.000 0.451 148 R N 0.554 121.050 120.500 -0.007 0.000 2.604 148 R HA 0.662 5.002 4.340 -0.000 0.000 0.287 148 R C -0.342 175.956 176.300 -0.004 0.000 0.970 148 R CA -0.868 55.229 56.100 -0.005 0.000 0.946 148 R CB 1.690 31.987 30.300 -0.006 0.000 1.127 148 R HN 0.426 nan 8.270 nan 0.000 0.473 149 R N -0.008 120.490 120.500 -0.002 0.000 2.673 149 R HA 0.353 4.693 4.340 -0.000 0.000 0.281 149 R C 0.007 176.307 176.300 -0.001 0.000 0.991 149 R CA -0.780 55.319 56.100 -0.002 0.000 0.896 149 R CB 1.985 32.284 30.300 -0.001 0.000 1.201 149 R HN 0.780 nan 8.270 nan 0.000 0.457 150 G N 2.043 110.842 108.800 -0.001 0.000 2.716 150 G HA2 0.162 4.122 3.960 -0.000 0.000 0.251 150 G HA3 0.162 4.122 3.960 -0.000 0.000 0.251 150 G C -1.920 172.980 174.900 -0.000 0.000 1.224 150 G CA -0.789 44.310 45.100 -0.001 0.000 0.891 150 G HN 0.398 nan 8.290 nan 0.000 0.561 151 P HA 0.121 nan 4.420 nan 0.000 0.264 151 P C 0.762 178.062 177.300 -0.000 0.000 1.193 151 P CA 1.108 64.209 63.100 -0.000 0.000 0.763 151 P CB 0.663 32.363 31.700 0.000 0.000 0.810 152 G N 1.609 110.409 108.800 -0.001 0.000 2.321 152 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.287 152 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.287 152 G C 0.565 175.465 174.900 -0.001 0.000 1.018 152 G CA 1.232 46.332 45.100 -0.001 0.000 0.855 152 G HN 1.037 nan 8.290 nan 0.000 0.507 153 E N -1.412 118.787 120.200 -0.002 0.000 2.199 153 E HA -0.307 4.043 4.350 -0.000 0.000 0.208 153 E C 0.558 177.157 176.600 -0.002 0.000 1.310 153 E CA 1.438 57.837 56.400 -0.002 0.000 0.709 153 E CB -2.082 27.616 29.700 -0.003 0.000 1.127 153 E HN 0.905 nan 8.360 nan 0.000 0.354 154 N N 0.372 119.071 118.700 -0.001 0.000 2.467 154 N HA 0.230 4.970 4.740 -0.000 0.000 0.278 154 N C -0.766 174.744 175.510 0.000 0.000 1.306 154 N CA 0.022 53.072 53.050 -0.001 0.000 0.905 154 N CB 0.850 39.337 38.487 -0.000 0.000 1.236 154 N HN 0.747 nan 8.380 nan 0.000 0.509 155 E N 0.404 120.603 120.200 -0.000 0.000 2.317 155 E HA 0.254 4.604 4.350 -0.000 0.000 0.270 155 E C -1.413 175.187 176.600 -0.000 0.000 0.899 155 E CA -0.402 55.999 56.400 0.000 0.000 0.814 155 E CB 2.817 32.518 29.700 0.001 0.000 1.296 155 E HN -0.123 nan 8.360 nan 0.000 0.404 156 V N 3.227 123.141 119.914 -0.000 0.000 2.881 156 V HA 0.791 4.910 4.120 -0.000 0.000 0.316 156 V C -0.945 175.149 176.094 0.000 0.000 1.070 156 V CA -0.501 61.798 62.300 -0.001 0.000 0.976 156 V CB 1.873 33.694 31.823 -0.002 0.000 1.038 156 V HN 0.467 nan 8.190 nan 0.000 0.446 157 V N 1.926 121.840 119.914 -0.001 0.000 3.048 157 V HA 0.742 4.862 4.120 -0.000 0.000 0.303 157 V C -1.518 174.576 176.094 0.000 0.000 1.214 157 V CA -0.724 61.577 62.300 0.001 0.000 0.984 157 V CB 2.170 33.994 31.823 0.002 0.000 1.054 157 V HN 0.856 nan 8.190 nan 0.000 0.430 158 D N 1.437 121.839 120.400 0.003 0.000 2.527 158 D HA 0.677 5.316 4.640 -0.000 0.000 0.233 158 D C -0.927 175.376 176.300 0.004 0.000 1.063 158 D CA -0.245 53.757 54.000 0.004 0.000 0.880 158 D CB 2.598 43.405 40.800 0.011 0.000 1.457 158 D HN 0.783 nan 8.370 nan 0.000 0.475 159 T N 1.296 115.852 114.554 0.003 0.000 2.824 159 T HA 0.277 4.627 4.350 -0.000 0.000 0.282 159 T C -0.487 174.205 174.700 -0.013 0.000 0.993 159 T CA -0.578 61.521 62.100 -0.001 0.000 0.967 159 T CB 1.179 70.047 68.868 0.001 0.000 0.960 159 T HN 0.099 nan 8.240 nan 0.000 0.441 160 L N 4.280 125.489 121.223 -0.023 0.000 2.270 160 L HA 0.788 5.128 4.340 -0.000 0.000 0.286 160 L C -0.360 176.487 176.870 -0.039 0.000 1.059 160 L CA -0.882 53.926 54.840 -0.054 0.000 0.839 160 L CB -0.737 41.292 42.059 -0.051 0.000 1.221 160 L HN 0.727 nan 8.230 nan 0.000 0.431 161 A N 4.616 127.377 122.820 -0.099 0.000 2.342 161 A HA 0.777 5.097 4.320 -0.000 0.000 0.323 161 A C -1.699 175.778 177.584 -0.178 0.000 1.125 161 A CA -0.375 51.621 52.037 -0.069 0.000 0.785 161 A CB 0.863 19.836 19.000 -0.046 0.000 1.221 161 A HN 0.615 nan 8.150 nan 0.000 0.463 162 Y N -0.127 120.175 120.300 0.003 0.000 2.562 162 Y HA 0.617 5.167 4.550 0.000 0.000 0.345 162 Y C 0.382 176.275 175.900 -0.012 0.000 1.045 162 Y CA -0.305 57.794 58.100 -0.003 0.000 1.028 162 Y CB 2.646 41.127 38.460 0.034 0.000 1.297 162 Y HN 0.814 nan 8.280 nan 0.000 0.463 163 T N -0.223 114.453 114.554 0.203 0.000 2.841 163 T HA 0.349 4.699 4.350 -0.000 0.000 0.283 163 T C 0.955 175.674 174.700 0.031 0.000 1.000 163 T CA -0.890 61.255 62.100 0.076 0.000 0.977 163 T CB 1.854 70.736 68.868 0.024 0.000 0.979 163 T HN 0.830 nan 8.240 nan 0.000 0.446 164 R N 1.213 121.708 120.500 -0.009 0.000 2.190 164 R HA -0.301 4.038 4.340 -0.000 0.000 0.255 164 R C 1.952 178.190 176.300 -0.103 0.000 1.143 164 R CA 2.668 58.731 56.100 -0.062 0.000 0.965 164 R CB -0.491 29.777 30.300 -0.052 0.000 0.889 164 R HN 0.863 nan 8.270 nan 0.000 0.448 165 E N 0.523 120.671 120.200 -0.087 0.000 2.058 165 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 165 E C 1.624 178.110 176.600 -0.190 0.000 0.997 165 E CA 2.303 58.628 56.400 -0.125 0.000 0.801 165 E CB -0.134 29.506 29.700 -0.099 0.000 0.746 165 E HN 0.601 nan 8.360 nan 0.000 0.450 166 E N -0.084 120.033 120.200 -0.137 0.000 2.077 166 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 166 E C 2.311 178.771 176.600 -0.233 0.000 0.989 166 E CA 1.341 57.648 56.400 -0.154 0.000 0.800 166 E CB -0.211 29.532 29.700 0.071 0.000 0.746 166 E HN 0.390 nan 8.360 nan 0.000 0.452 167 I N 1.209 121.627 120.570 -0.253 0.000 2.394 167 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 167 I C 2.089 177.895 176.117 -0.518 0.000 1.136 167 I CA 1.103 62.112 61.300 -0.485 0.000 1.425 167 I CB -0.185 37.554 38.000 -0.435 0.000 1.079 167 I HN 0.124 nan 8.210 nan 0.000 0.425 168 E N 0.965 120.959 120.200 -0.343 0.000 2.060 168 E HA -0.157 4.192 4.350 -0.000 0.000 0.189 168 E C 2.216 178.671 176.600 -0.242 0.000 0.974 168 E CA 0.655 56.890 56.400 -0.274 0.000 0.808 168 E CB -0.123 29.466 29.700 -0.185 0.000 0.768 168 E HN 0.511 nan 8.360 nan 0.000 0.453 169 R N 0.911 121.230 120.500 -0.301 0.000 2.127 169 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 169 R C 2.149 178.342 176.300 -0.178 0.000 1.134 169 R CA 1.286 57.197 56.100 -0.314 0.000 0.975 169 R CB -0.488 29.407 30.300 -0.675 0.000 0.865 169 R HN 0.123 nan 8.270 nan 0.000 0.447 170 I N 1.365 121.794 120.570 -0.235 0.000 2.235 170 I HA -0.064 4.106 4.170 -0.000 0.000 0.241 170 I C 2.165 178.264 176.117 -0.031 0.000 1.085 170 I CA 0.886 62.210 61.300 0.040 0.000 1.378 170 I CB -0.017 37.998 38.000 0.024 0.000 1.076 170 I HN 0.127 nan 8.210 nan 0.000 0.415 171 I N 0.321 120.758 120.570 -0.221 0.000 2.361 171 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 171 I C 2.384 178.517 176.117 0.026 0.000 1.133 171 I CA 0.998 62.196 61.300 -0.171 0.000 1.413 171 I CB -0.472 37.330 38.000 -0.329 0.000 1.073 171 I HN 0.316 nan 8.210 nan 0.000 0.424 172 E N 1.128 121.331 120.200 0.005 0.000 2.031 172 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 172 E C 2.070 178.684 176.600 0.024 0.000 0.994 172 E CA 1.346 57.773 56.400 0.045 0.000 0.800 172 E CB -0.050 29.675 29.700 0.042 0.000 0.752 172 E HN 0.148 nan 8.360 nan 0.000 0.447 173 K N 0.580 121.019 120.400 0.065 0.000 2.209 173 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 173 K C 1.703 178.275 176.600 -0.047 0.000 1.048 173 K CA 1.154 57.462 56.287 0.036 0.000 0.940 173 K CB -0.369 32.186 32.500 0.091 0.000 0.729 173 K HN 0.113 nan 8.250 nan 0.000 0.451 174 A N -0.643 122.141 122.820 -0.059 0.000 1.897 174 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 174 A C 2.010 179.466 177.584 -0.213 0.000 1.181 174 A CA 1.054 53.010 52.037 -0.134 0.000 0.620 174 A CB -0.726 18.185 19.000 -0.147 0.000 0.821 174 A HN 0.285 nan 8.150 nan 0.000 0.443 175 F N 0.579 120.345 119.950 -0.307 0.000 2.134 175 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 175 F C 2.774 178.245 175.800 -0.549 0.000 1.097 175 F CA 1.977 59.665 58.000 -0.521 0.000 1.264 175 F CB -0.478 37.946 39.000 -0.961 0.000 1.001 175 F HN 0.304 nan 8.300 nan 0.000 0.479 176 Q N -0.088 119.540 119.800 -0.287 0.000 2.077 176 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 176 Q C 2.425 178.431 176.000 0.010 0.000 0.989 176 Q CA 1.781 57.551 55.803 -0.055 0.000 0.853 176 Q CB -0.615 28.142 28.738 0.033 0.000 0.907 176 Q HN 0.455 nan 8.270 nan 0.000 0.418 177 L N 0.168 121.367 121.223 -0.041 0.000 2.017 177 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 177 L C 2.381 179.263 176.870 0.020 0.000 1.073 177 L CA 1.180 56.011 54.840 -0.015 0.000 0.745 177 L CB -0.463 41.541 42.059 -0.092 0.000 0.894 177 L HN 0.249 nan 8.230 nan 0.000 0.432 178 A N -0.829 121.972 122.820 -0.031 0.000 1.978 178 A HA -0.320 3.999 4.320 -0.000 0.000 0.220 178 A C 2.070 179.688 177.584 0.057 0.000 1.170 178 A CA 1.963 53.994 52.037 -0.009 0.000 0.636 178 A CB -0.549 18.405 19.000 -0.077 0.000 0.810 178 A HN 0.532 nan 8.150 nan 0.000 0.448 179 Q N 0.418 120.273 119.800 0.091 0.000 2.061 179 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 179 Q C 1.781 177.852 176.000 0.117 0.000 0.984 179 Q CA 2.112 58.003 55.803 0.146 0.000 0.846 179 Q CB -0.539 28.334 28.738 0.225 0.000 0.902 179 Q HN 0.851 nan 8.270 nan 0.000 0.421 180 I N -2.492 118.147 120.570 0.115 0.000 3.564 180 I HA 0.155 4.325 4.170 -0.000 0.000 0.294 180 I C 0.661 176.833 176.117 0.092 0.000 1.289 180 I CA 0.045 61.409 61.300 0.107 0.000 1.325 180 I CB 0.144 38.223 38.000 0.132 0.000 1.039 180 I HN -0.030 nan 8.210 nan 0.000 0.474 181 R N 0.908 121.459 120.500 0.085 0.000 3.237 181 R HA 0.487 4.827 4.340 -0.000 0.000 0.193 181 R C 0.397 176.729 176.300 0.054 0.000 1.551 181 R CA -0.948 55.194 56.100 0.069 0.000 0.855 181 R CB 0.277 30.621 30.300 0.074 0.000 2.062 181 R HN 0.025 nan 8.270 nan 0.000 0.507 182 R N 1.863 122.389 120.500 0.044 0.000 2.535 182 R HA 0.063 4.403 4.340 -0.000 0.000 0.233 182 R C -0.497 175.825 176.300 0.037 0.000 1.202 182 R CA 0.192 56.312 56.100 0.035 0.000 1.205 182 R CB -0.383 29.932 30.300 0.025 0.000 1.153 182 R HN 0.356 nan 8.270 nan 0.000 0.512 183 K N 1.182 121.611 120.400 0.049 0.000 3.356 183 K HA -0.246 4.074 4.320 -0.000 0.000 0.270 183 K C -0.355 176.272 176.600 0.045 0.000 0.901 183 K CA 1.002 57.326 56.287 0.061 0.000 0.688 183 K CB -0.934 31.611 32.500 0.074 0.000 1.460 183 K HN 0.258 nan 8.250 nan 0.000 0.458 184 K N 1.097 121.509 120.400 0.020 0.000 2.535 184 K HA 0.463 4.783 4.320 -0.000 0.000 0.250 184 K C -1.803 174.777 176.600 -0.034 0.000 0.948 184 K CA -0.890 55.398 56.287 0.002 0.000 0.796 184 K CB 1.188 33.693 32.500 0.008 0.000 1.216 184 K HN 0.120 nan 8.250 nan 0.000 0.432 185 L N 3.022 124.194 121.223 -0.086 0.000 2.408 185 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 185 L C -1.613 175.191 176.870 -0.110 0.000 0.986 185 L CA -0.224 54.518 54.840 -0.163 0.000 0.820 185 L CB 2.125 43.919 42.059 -0.442 0.000 1.303 185 L HN 0.706 nan 8.230 nan 0.000 0.411 186 A N 2.839 125.636 122.820 -0.038 0.000 2.285 186 A HA 0.624 4.944 4.320 -0.000 0.000 0.310 186 A C -0.486 177.116 177.584 0.030 0.000 1.266 186 A CA -0.353 51.703 52.037 0.031 0.000 0.832 186 A CB 0.886 19.992 19.000 0.176 0.000 1.163 186 A HN 0.697 nan 8.150 nan 0.000 0.499 187 S N 2.786 118.539 115.700 0.089 0.000 2.400 187 S HA 0.409 4.879 4.470 -0.000 0.000 0.295 187 S C -0.260 174.455 174.600 0.192 0.000 1.113 187 S CA -0.314 58.041 58.200 0.257 0.000 1.064 187 S CB -0.328 63.160 63.200 0.481 0.000 0.990 187 S HN 0.616 nan 8.310 nan 0.000 0.502 188 V N 6.622 126.560 119.914 0.040 0.000 2.383 188 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 188 V C -0.016 175.922 176.094 -0.260 0.000 1.036 188 V CA -0.456 61.784 62.300 -0.101 0.000 0.889 188 V CB 0.918 32.648 31.823 -0.156 0.000 0.985 188 V HN 1.014 nan 8.190 nan 0.000 0.459 189 D N 4.082 124.336 120.400 -0.242 0.000 3.009 189 D HA 0.527 5.167 4.640 -0.000 0.000 0.318 189 D C -0.398 175.757 176.300 -0.241 0.000 1.273 189 D CA -0.889 52.949 54.000 -0.271 0.000 1.001 189 D CB 1.329 41.976 40.800 -0.255 0.000 1.411 189 D HN 0.185 nan 8.370 nan 0.000 0.577 190 K N -1.053 119.292 120.400 -0.093 0.000 3.165 190 K HA 0.604 4.924 4.320 -0.000 0.000 0.206 190 K C 0.392 176.987 176.600 -0.009 0.000 1.123 190 K CA 0.087 56.327 56.287 -0.078 0.000 0.978 190 K CB 0.190 32.686 32.500 -0.007 0.000 0.749 190 K HN 0.476 nan 8.250 nan 0.000 0.454 191 A N 0.673 123.479 122.820 -0.024 0.000 2.131 191 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 191 A C 1.385 178.967 177.584 -0.004 0.000 1.158 191 A CA 1.745 53.777 52.037 -0.007 0.000 0.665 191 A CB -0.950 18.033 19.000 -0.029 0.000 0.795 191 A HN 0.758 nan 8.150 nan 0.000 0.460 192 N N -0.961 117.733 118.700 -0.011 0.000 2.521 192 N HA 0.050 4.790 4.740 -0.000 0.000 0.188 192 N C 0.701 176.213 175.510 0.004 0.000 1.146 192 N CA 1.237 54.284 53.050 -0.005 0.000 0.893 192 N CB 0.230 38.710 38.487 -0.011 0.000 0.975 192 N HN 0.481 nan 8.380 nan 0.000 0.451 193 V N -4.545 115.377 119.914 0.013 0.000 3.163 193 V HA 0.296 4.416 4.120 -0.000 0.000 0.217 193 V C 0.268 176.382 176.094 0.032 0.000 1.540 193 V CA -0.533 61.780 62.300 0.021 0.000 1.205 193 V CB -0.092 31.745 31.823 0.023 0.000 1.110 193 V HN 0.027 nan 8.190 nan 0.000 0.482 194 L N 2.060 123.311 121.223 0.045 0.000 2.319 194 L HA 0.459 4.798 4.340 -0.000 0.000 0.280 194 L C 1.588 178.488 176.870 0.050 0.000 1.099 194 L CA 0.084 54.957 54.840 0.055 0.000 0.828 194 L CB 1.395 43.503 42.059 0.081 0.000 1.150 194 L HN 0.277 nan 8.230 nan 0.000 0.442 195 E N 1.636 121.864 120.200 0.047 0.000 2.150 195 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 195 E C 1.960 178.600 176.600 0.066 0.000 0.985 195 E CA 1.630 58.059 56.400 0.047 0.000 0.814 195 E CB 0.204 29.929 29.700 0.041 0.000 0.752 195 E HN 0.729 nan 8.360 nan 0.000 0.466 196 S N -1.142 114.606 115.700 0.081 0.000 2.402 196 S HA -0.051 4.419 4.470 -0.000 0.000 0.229 196 S C 2.169 176.846 174.600 0.129 0.000 1.021 196 S CA 1.068 59.339 58.200 0.118 0.000 0.974 196 S CB -0.269 63.023 63.200 0.154 0.000 0.800 196 S HN 0.107 nan 8.310 nan 0.000 0.484 197 S N 1.533 117.290 115.700 0.096 0.000 2.428 197 S HA 0.127 4.597 4.470 -0.000 0.000 0.230 197 S C 2.008 176.668 174.600 0.101 0.000 1.014 197 S CA 0.404 58.656 58.200 0.088 0.000 0.957 197 S CB -0.154 63.078 63.200 0.054 0.000 0.784 197 S HN 0.538 nan 8.310 nan 0.000 0.499 198 R N 0.662 121.206 120.500 0.072 0.000 2.073 198 R HA 0.106 4.446 4.340 -0.000 0.000 0.229 198 R C 2.429 178.766 176.300 0.062 0.000 1.120 198 R CA 1.154 57.282 56.100 0.047 0.000 0.967 198 R CB -0.319 30.000 30.300 0.031 0.000 0.862 198 R HN 0.379 nan 8.270 nan 0.000 0.436 199 M N 0.193 119.839 119.600 0.077 0.000 2.229 199 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 199 M C 1.932 178.276 176.300 0.073 0.000 1.063 199 M CA 1.473 56.808 55.300 0.058 0.000 1.114 199 M CB -0.143 32.488 32.600 0.052 0.000 1.387 199 M HN 0.342 nan 8.290 nan 0.000 0.420 200 W N 1.358 122.615 121.300 -0.071 0.000 2.355 200 W HA -0.219 4.441 4.660 -0.000 0.000 0.309 200 W C 2.250 178.735 176.519 -0.056 0.000 1.206 200 W CA 1.739 59.032 57.345 -0.087 0.000 1.284 200 W CB -0.685 28.714 29.460 -0.102 0.000 1.145 200 W HN 0.273 nan 8.180 nan 0.000 0.502 201 R N 0.596 121.242 120.500 0.245 0.000 2.070 201 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 201 R C 2.335 178.644 176.300 0.015 0.000 1.137 201 R CA 2.319 58.444 56.100 0.043 0.000 0.945 201 R CB -0.598 29.595 30.300 -0.177 0.000 0.845 201 R HN 0.158 nan 8.270 nan 0.000 0.430 202 E N 0.100 120.306 120.200 0.009 0.000 2.086 202 E HA -0.243 4.106 4.350 -0.000 0.000 0.200 202 E C 1.971 178.570 176.600 -0.002 0.000 1.012 202 E CA 1.834 58.238 56.400 0.008 0.000 0.812 202 E CB -0.188 29.514 29.700 0.002 0.000 0.743 202 E HN 0.458 nan 8.360 nan 0.000 0.453 203 I N 0.519 121.060 120.570 -0.048 0.000 2.546 203 I HA -0.179 3.991 4.170 -0.000 0.000 0.255 203 I C 2.385 178.456 176.117 -0.076 0.000 1.163 203 I CA 0.537 61.777 61.300 -0.101 0.000 1.457 203 I CB -0.186 37.692 38.000 -0.203 0.000 1.092 203 I HN 0.082 nan 8.210 nan 0.000 0.434 204 A N 0.457 123.264 122.820 -0.022 0.000 1.930 204 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 204 A C 2.216 179.960 177.584 0.266 0.000 1.176 204 A CA 1.412 53.541 52.037 0.153 0.000 0.632 204 A CB -0.320 18.847 19.000 0.278 0.000 0.819 204 A HN 0.311 nan 8.150 nan 0.000 0.445 205 E N 0.889 121.221 120.200 0.220 0.000 2.047 205 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 205 E C 2.024 178.671 176.600 0.079 0.000 0.987 205 E CA 1.756 58.274 56.400 0.196 0.000 0.799 205 E CB -0.324 29.483 29.700 0.178 0.000 0.752 205 E HN 0.801 nan 8.360 nan 0.000 0.449 206 E N -1.012 119.206 120.200 0.030 0.000 2.150 206 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 206 E C 1.841 178.401 176.600 -0.066 0.000 0.985 206 E CA 1.540 57.930 56.400 -0.017 0.000 0.814 206 E CB -0.411 29.274 29.700 -0.025 0.000 0.752 206 E HN 0.097 nan 8.360 nan 0.000 0.466 207 T N 1.222 115.725 114.554 -0.085 0.000 2.821 207 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 207 T C 2.071 176.497 174.700 -0.456 0.000 1.046 207 T CA 1.185 63.164 62.100 -0.202 0.000 1.139 207 T CB -0.303 68.473 68.868 -0.154 0.000 0.871 207 T HN 0.403 nan 8.240 nan 0.000 0.454 208 A N 2.357 124.921 122.820 -0.427 0.000 1.940 208 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 208 A C 2.187 179.623 177.584 -0.247 0.000 1.190 208 A CA 2.092 53.867 52.037 -0.436 0.000 0.647 208 A CB -0.612 18.410 19.000 0.036 0.000 0.821 208 A HN 0.560 nan 8.150 nan 0.000 0.457 209 K N -0.287 120.024 120.400 -0.149 0.000 2.074 209 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 209 K C 1.912 178.425 176.600 -0.145 0.000 1.048 209 K CA 1.734 57.958 56.287 -0.105 0.000 0.926 209 K CB -0.227 32.225 32.500 -0.080 0.000 0.713 209 K HN 0.473 nan 8.250 nan 0.000 0.444 210 K N -0.035 120.251 120.400 -0.190 0.000 2.362 210 K HA -0.098 4.222 4.320 -0.000 0.000 0.200 210 K C -0.058 176.205 176.600 -0.561 0.000 1.046 210 K CA 0.888 56.985 56.287 -0.318 0.000 0.952 210 K CB 0.116 32.442 32.500 -0.290 0.000 0.753 210 K HN 0.182 nan 8.250 nan 0.000 0.466 211 Y N 0.356 120.504 120.300 -0.253 0.000 2.748 211 Y HA 0.164 4.714 4.550 -0.000 0.000 0.359 211 Y C -1.800 174.061 175.900 -0.066 0.000 1.030 211 Y CA -2.462 55.557 58.100 -0.135 0.000 1.169 211 Y CB 0.986 39.381 38.460 -0.109 0.000 1.127 211 Y HN -0.030 nan 8.280 nan 0.000 0.644 212 P HA -0.170 nan 4.420 nan 0.000 0.217 212 P C 0.562 177.905 177.300 0.070 0.000 1.150 212 P CA 1.674 64.793 63.100 0.031 0.000 0.832 212 P CB 0.443 32.138 31.700 -0.009 0.000 0.787 213 D N -0.363 120.089 120.400 0.087 0.000 2.319 213 D HA 0.047 4.687 4.640 -0.000 0.000 0.230 213 D C 0.201 176.576 176.300 0.125 0.000 1.094 213 D CA -0.266 53.788 54.000 0.090 0.000 0.856 213 D CB -0.352 40.491 40.800 0.071 0.000 0.915 213 D HN 0.039 nan 8.370 nan 0.000 0.517 214 V N 1.187 121.212 119.914 0.185 0.000 2.384 214 V HA 0.111 4.230 4.120 -0.000 0.000 0.287 214 V C 0.133 176.340 176.094 0.188 0.000 1.020 214 V CA -0.997 61.428 62.300 0.209 0.000 0.850 214 V CB 1.815 33.851 31.823 0.355 0.000 0.987 214 V HN 0.122 nan 8.190 nan 0.000 0.436 215 E N 4.849 125.112 120.200 0.104 0.000 2.166 215 E HA 0.194 4.544 4.350 -0.000 0.000 0.279 215 E C -0.938 175.685 176.600 0.038 0.000 1.095 215 E CA -0.630 55.810 56.400 0.067 0.000 0.888 215 E CB 1.060 30.778 29.700 0.030 0.000 1.041 215 E HN 0.529 nan 8.360 nan 0.000 0.414 216 L N 4.293 125.550 121.223 0.057 0.000 2.326 216 L HA 0.309 4.648 4.340 -0.000 0.000 0.278 216 L C -0.997 175.787 176.870 -0.142 0.000 1.092 216 L CA 0.171 54.992 54.840 -0.031 0.000 0.810 216 L CB 1.461 43.575 42.059 0.092 0.000 1.153 216 L HN 0.438 nan 8.230 nan 0.000 0.439 217 S N 3.479 119.060 115.700 -0.198 0.000 2.599 217 S HA 0.658 5.128 4.470 -0.000 0.000 0.287 217 S C -1.166 173.287 174.600 -0.245 0.000 1.105 217 S CA -0.818 57.270 58.200 -0.188 0.000 0.899 217 S CB 1.556 64.724 63.200 -0.053 0.000 1.100 217 S HN 0.604 nan 8.310 nan 0.000 0.482 218 H N 1.075 120.181 119.070 0.060 0.000 2.489 218 H HA 0.635 5.191 4.556 -0.000 0.000 0.343 218 H C -0.876 174.476 175.328 0.041 0.000 1.086 218 H CA -0.546 55.538 56.048 0.060 0.000 1.198 218 H CB 1.698 31.498 29.762 0.064 0.000 1.490 218 H HN 0.582 nan 8.280 nan 0.000 0.504 219 M N 3.387 123.079 119.600 0.154 0.000 2.378 219 M HA 0.339 4.818 4.480 -0.000 0.000 0.289 219 M C -1.443 174.850 176.300 -0.012 0.000 1.136 219 M CA -0.709 54.635 55.300 0.074 0.000 0.917 219 M CB 2.048 34.710 32.600 0.104 0.000 1.669 219 M HN 0.383 nan 8.290 nan 0.000 0.461 220 L N 3.951 125.146 121.223 -0.047 0.000 2.397 220 L HA 0.178 4.518 4.340 -0.000 0.000 0.271 220 L C 1.306 178.049 176.870 -0.211 0.000 1.148 220 L CA -0.346 54.413 54.840 -0.135 0.000 0.825 220 L CB 1.208 43.204 42.059 -0.105 0.000 1.117 220 L HN 0.741 nan 8.230 nan 0.000 0.456 221 V N 2.691 122.366 119.914 -0.400 0.000 2.324 221 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 221 V C 2.080 177.990 176.094 -0.306 0.000 1.060 221 V CA 2.650 64.650 62.300 -0.500 0.000 1.042 221 V CB -0.399 30.758 31.823 -1.110 0.000 0.650 221 V HN 1.109 nan 8.190 nan 0.000 0.450 222 D N -0.933 119.318 120.400 -0.249 0.000 2.144 222 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 222 D C 2.126 178.373 176.300 -0.089 0.000 0.984 222 D CA 1.750 55.665 54.000 -0.142 0.000 0.834 222 D CB -0.704 40.032 40.800 -0.106 0.000 0.955 222 D HN 0.502 nan 8.370 nan 0.000 0.465 223 S N 0.184 115.837 115.700 -0.078 0.000 2.345 223 S HA -0.108 4.361 4.470 -0.000 0.000 0.220 223 S C 2.104 176.704 174.600 -0.001 0.000 1.031 223 S CA 1.702 59.885 58.200 -0.029 0.000 0.996 223 S CB -0.653 62.538 63.200 -0.015 0.000 0.882 223 S HN 0.399 nan 8.310 nan 0.000 0.445 224 T N 1.563 116.104 114.554 -0.020 0.000 2.822 224 T HA -0.125 4.224 4.350 -0.000 0.000 0.270 224 T C 1.999 176.682 174.700 -0.029 0.000 1.064 224 T CA 1.404 63.503 62.100 -0.001 0.000 1.131 224 T CB -0.435 68.357 68.868 -0.127 0.000 0.858 224 T HN 0.381 nan 8.240 nan 0.000 0.483 225 S N 0.558 116.224 115.700 -0.057 0.000 2.383 225 S HA -0.039 4.431 4.470 -0.000 0.000 0.227 225 S C 2.031 176.629 174.600 -0.004 0.000 1.026 225 S CA 1.032 59.205 58.200 -0.044 0.000 0.981 225 S CB -0.318 62.848 63.200 -0.056 0.000 0.818 225 S HN 0.484 nan 8.310 nan 0.000 0.472 226 M N 0.426 120.031 119.600 0.008 0.000 2.156 226 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 226 M C 2.387 178.719 176.300 0.054 0.000 1.067 226 M CA 0.928 56.241 55.300 0.023 0.000 1.131 226 M CB -0.387 32.222 32.600 0.015 0.000 1.368 226 M HN 0.187 nan 8.290 nan 0.000 0.416 227 Q N 0.745 120.603 119.800 0.097 0.000 2.170 227 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 227 Q C 2.085 178.237 176.000 0.253 0.000 0.976 227 Q CA 1.276 57.183 55.803 0.175 0.000 0.858 227 Q CB -0.490 28.422 28.738 0.289 0.000 0.907 227 Q HN 0.572 nan 8.270 nan 0.000 0.433 228 L N -0.240 121.100 121.223 0.195 0.000 2.275 228 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 228 L C 2.030 178.963 176.870 0.106 0.000 1.119 228 L CA 0.657 55.590 54.840 0.155 0.000 0.790 228 L CB -0.124 41.946 42.059 0.019 0.000 0.919 228 L HN 0.179 nan 8.230 nan 0.000 0.443 229 I N -1.389 119.227 120.570 0.077 0.000 2.681 229 I HA -0.059 4.111 4.170 -0.000 0.000 0.247 229 I C 2.650 178.794 176.117 0.044 0.000 1.091 229 I CA 0.766 62.096 61.300 0.049 0.000 1.442 229 I CB -0.324 37.696 38.000 0.032 0.000 1.219 229 I HN 0.064 nan 8.210 nan 0.000 0.451 230 A N 0.495 123.339 122.820 0.040 0.000 1.902 230 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 230 A C 1.260 178.852 177.584 0.013 0.000 1.181 230 A CA 2.146 54.196 52.037 0.022 0.000 0.623 230 A CB -0.371 18.638 19.000 0.016 0.000 0.818 230 A HN 0.512 nan 8.150 nan 0.000 0.443 231 N N -1.837 116.876 118.700 0.022 0.000 2.666 231 N HA 0.167 4.907 4.740 -0.000 0.000 0.253 231 N C -2.326 173.179 175.510 -0.009 0.000 1.621 231 N CA -1.046 51.993 53.050 -0.019 0.000 0.785 231 N CB 0.973 39.416 38.487 -0.074 0.000 1.332 231 N HN -0.001 nan 8.380 nan 0.000 0.514 232 P HA -0.019 nan 4.420 nan 0.000 0.222 232 P C 1.323 178.707 177.300 0.139 0.000 1.147 232 P CA 0.852 64.082 63.100 0.217 0.000 0.790 232 P CB 0.117 31.909 31.700 0.153 0.000 0.780 233 G N 1.103 109.913 108.800 0.015 0.000 2.509 233 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 233 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 233 G C 1.633 176.482 174.900 -0.085 0.000 1.124 233 G CA 0.533 45.624 45.100 -0.016 0.000 0.776 233 G HN 0.479 nan 8.290 nan 0.000 0.547 234 Q N -0.718 118.941 119.800 -0.236 0.000 2.291 234 Q HA 0.034 4.374 4.340 -0.000 0.000 0.205 234 Q C 0.177 175.951 176.000 -0.376 0.000 0.970 234 Q CA 0.244 55.825 55.803 -0.370 0.000 0.876 234 Q CB -0.262 28.131 28.738 -0.575 0.000 0.935 234 Q HN 0.326 nan 8.270 nan 0.000 0.455 235 F N 1.129 121.067 119.950 -0.019 0.000 2.389 235 F HA 0.223 4.750 4.527 -0.000 0.000 0.337 235 F C 0.850 176.638 175.800 -0.020 0.000 1.112 235 F CA -0.604 57.383 58.000 -0.022 0.000 1.192 235 F CB 1.133 40.121 39.000 -0.021 0.000 1.185 235 F HN 0.034 nan 8.300 nan 0.000 0.552 236 D N 0.273 120.789 120.400 0.193 0.000 3.137 236 D HA 0.176 4.816 4.640 -0.000 0.000 0.236 236 D C -0.916 175.434 176.300 0.084 0.000 1.557 236 D CA 0.629 54.689 54.000 0.099 0.000 1.305 236 D CB 0.366 41.199 40.800 0.055 0.000 1.065 236 D HN 0.106 nan 8.370 nan 0.000 0.290 237 V N 1.974 121.920 119.914 0.054 0.000 2.487 237 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 237 V C -0.203 175.879 176.094 -0.019 0.000 1.028 237 V CA -0.680 61.621 62.300 0.002 0.000 0.860 237 V CB 1.708 33.506 31.823 -0.041 0.000 0.991 237 V HN 0.200 nan 8.190 nan 0.000 0.427 238 I N 4.569 125.107 120.570 -0.053 0.000 2.493 238 I HA 0.632 4.801 4.170 -0.000 0.000 0.298 238 I C -0.752 175.334 176.117 -0.050 0.000 0.998 238 I CA -0.950 60.299 61.300 -0.085 0.000 1.137 238 I CB 2.175 40.050 38.000 -0.208 0.000 1.310 238 I HN 0.365 nan 8.210 nan 0.000 0.445 239 V N 5.120 125.034 119.914 0.000 0.000 2.577 239 V HA 0.713 4.833 4.120 -0.000 0.000 0.303 239 V C -0.736 175.467 176.094 0.182 0.000 1.042 239 V CA 0.156 62.519 62.300 0.106 0.000 0.872 239 V CB 2.126 34.020 31.823 0.119 0.000 0.998 239 V HN 0.898 nan 8.190 nan 0.000 0.423 240 T N 3.673 118.306 114.554 0.132 0.000 2.821 240 T HA 0.488 4.838 4.350 -0.000 0.000 0.306 240 T C -0.799 173.764 174.700 -0.230 0.000 1.313 240 T CA -0.076 61.925 62.100 -0.165 0.000 1.012 240 T CB 1.769 70.564 68.868 -0.120 0.000 1.298 240 T HN 1.076 nan 8.240 nan 0.000 0.502 241 E N 2.315 122.136 120.200 -0.632 0.000 2.410 241 E HA 0.241 4.591 4.350 -0.000 0.000 0.255 241 E C 1.225 177.751 176.600 -0.124 0.000 1.194 241 E CA -0.397 55.796 56.400 -0.345 0.000 0.955 241 E CB 0.348 29.772 29.700 -0.461 0.000 0.988 241 E HN 0.478 nan 8.360 nan 0.000 0.461 242 N N 0.641 119.331 118.700 -0.016 0.000 2.027 242 N HA -0.292 4.448 4.740 -0.000 0.000 0.200 242 N C 1.551 176.877 175.510 -0.306 0.000 1.042 242 N CA 2.412 55.396 53.050 -0.110 0.000 0.871 242 N CB -0.313 38.089 38.487 -0.141 0.000 1.063 242 N HN 0.754 nan 8.380 nan 0.000 0.438 243 M N -0.438 118.811 119.600 -0.584 0.000 2.077 243 M HA -0.069 4.411 4.480 -0.000 0.000 0.261 243 M C 1.749 177.952 176.300 -0.161 0.000 1.070 243 M CA 1.425 56.386 55.300 -0.566 0.000 1.125 243 M CB -0.397 31.804 32.600 -0.665 0.000 1.339 243 M HN 0.048 nan 8.290 nan 0.000 0.409 244 F N 0.250 120.093 119.950 -0.177 0.000 2.126 244 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 244 F C 2.533 178.261 175.800 -0.121 0.000 1.096 244 F CA 1.218 59.128 58.000 -0.151 0.000 1.255 244 F CB -1.962 36.912 39.000 -0.210 0.000 0.997 244 F HN 0.309 nan 8.300 nan 0.000 0.479 245 G N -0.831 108.006 108.800 0.061 0.000 2.422 245 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.218 245 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.218 245 G C 1.355 176.279 174.900 0.040 0.000 1.140 245 G CA 1.087 46.204 45.100 0.028 0.000 0.775 245 G HN 0.356 nan 8.290 nan 0.000 0.545 246 D N 0.509 120.940 120.400 0.052 0.000 2.097 246 D HA -0.074 4.566 4.640 -0.000 0.000 0.195 246 D C 2.464 178.814 176.300 0.084 0.000 0.989 246 D CA 0.777 54.836 54.000 0.098 0.000 0.827 246 D CB -0.187 40.723 40.800 0.184 0.000 0.966 246 D HN 0.356 nan 8.370 nan 0.000 0.456 247 I N -0.112 120.510 120.570 0.085 0.000 2.286 247 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 247 I C 2.290 178.425 176.117 0.031 0.000 1.104 247 I CA 0.554 61.895 61.300 0.068 0.000 1.397 247 I CB -0.129 37.923 38.000 0.087 0.000 1.072 247 I HN 0.100 nan 8.210 nan 0.000 0.417 248 L N -0.320 120.911 121.223 0.013 0.000 2.093 248 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 248 L C 2.580 179.432 176.870 -0.031 0.000 1.085 248 L CA 0.998 55.818 54.840 -0.033 0.000 0.755 248 L CB -0.482 41.531 42.059 -0.078 0.000 0.904 248 L HN 0.141 nan 8.230 nan 0.000 0.435 249 S N -0.568 115.127 115.700 -0.009 0.000 2.423 249 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 249 S C 1.415 176.022 174.600 0.011 0.000 1.014 249 S CA 1.108 59.306 58.200 -0.003 0.000 0.965 249 S CB -0.141 63.065 63.200 0.011 0.000 0.785 249 S HN 0.399 nan 8.310 nan 0.000 0.495 250 D N 1.052 121.463 120.400 0.019 0.000 2.123 250 D HA -0.041 4.599 4.640 -0.000 0.000 0.200 250 D C 2.024 178.336 176.300 0.019 0.000 0.976 250 D CA 0.790 54.805 54.000 0.025 0.000 0.831 250 D CB -0.051 40.769 40.800 0.033 0.000 0.974 250 D HN 0.398 nan 8.370 nan 0.000 0.469 251 E N -0.043 120.162 120.200 0.010 0.000 2.051 251 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 251 E C 1.872 178.476 176.600 0.007 0.000 0.991 251 E CA 0.976 57.380 56.400 0.006 0.000 0.799 251 E CB -0.054 29.642 29.700 -0.005 0.000 0.748 251 E HN 0.211 nan 8.360 nan 0.000 0.449 252 A N 0.854 123.672 122.820 -0.003 0.000 2.121 252 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 252 A C 2.170 179.767 177.584 0.021 0.000 1.154 252 A CA 1.488 53.526 52.037 0.002 0.000 0.679 252 A CB -0.571 18.416 19.000 -0.021 0.000 0.795 252 A HN 0.397 nan 8.150 nan 0.000 0.458 253 S N -0.254 115.461 115.700 0.024 0.000 2.537 253 S HA -0.053 4.417 4.470 -0.000 0.000 0.240 253 S C 1.415 176.040 174.600 0.042 0.000 0.981 253 S CA 1.325 59.547 58.200 0.037 0.000 0.948 253 S CB -0.672 62.550 63.200 0.037 0.000 0.759 253 S HN 1.101 nan 8.310 nan 0.000 0.531 254 V N -0.311 119.624 119.914 0.036 0.000 3.455 254 V HA 0.334 4.454 4.120 -0.000 0.000 0.250 254 V C 2.046 178.164 176.094 0.039 0.000 1.230 254 V CA 0.203 62.525 62.300 0.037 0.000 1.105 254 V CB -0.932 30.909 31.823 0.030 0.000 0.850 254 V HN 0.569 nan 8.190 nan 0.000 0.461 255 I N 1.761 122.354 120.570 0.038 0.000 2.623 255 I HA -0.139 4.031 4.170 -0.000 0.000 0.261 255 I C 1.784 177.927 176.117 0.044 0.000 1.204 255 I CA 2.214 63.537 61.300 0.039 0.000 1.444 255 I CB -0.996 37.028 38.000 0.040 0.000 1.094 255 I HN 0.511 nan 8.210 nan 0.000 0.451 256 T N -2.846 111.740 114.554 0.055 0.000 3.044 256 T HA 0.498 4.848 4.350 -0.000 0.000 0.260 256 T C 1.407 176.155 174.700 0.079 0.000 1.019 256 T CA 0.196 62.336 62.100 0.066 0.000 0.921 256 T CB 0.513 69.428 68.868 0.080 0.000 1.053 256 T HN 0.647 nan 8.240 nan 0.000 0.533 257 G N 2.113 110.952 108.800 0.064 0.000 2.168 257 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 257 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 257 G C 0.612 175.552 174.900 0.067 0.000 0.997 257 G CA 0.491 45.626 45.100 0.058 0.000 0.708 257 G HN 1.251 nan 8.290 nan 0.000 0.520 258 S N -1.040 114.712 115.700 0.087 0.000 2.651 258 S HA 0.472 4.942 4.470 -0.000 0.000 0.246 258 S C 1.664 176.309 174.600 0.074 0.000 1.039 258 S CA 0.526 58.779 58.200 0.089 0.000 1.013 258 S CB 0.792 64.092 63.200 0.166 0.000 0.861 258 S HN 0.739 nan 8.310 nan 0.000 0.485 259 L N 3.084 124.344 121.223 0.061 0.000 1.997 259 L HA 0.041 4.381 4.340 -0.000 0.000 0.216 259 L C 2.252 179.162 176.870 0.067 0.000 1.074 259 L CA 2.464 57.340 54.840 0.060 0.000 0.763 259 L CB -1.307 40.781 42.059 0.047 0.000 0.890 259 L HN 0.493 nan 8.230 nan 0.000 0.434 260 G N -0.708 108.119 108.800 0.045 0.000 2.653 260 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 260 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 260 G C 1.172 176.108 174.900 0.061 0.000 1.138 260 G CA 0.895 46.014 45.100 0.033 0.000 0.782 260 G HN 0.626 nan 8.290 nan 0.000 0.535 261 M N -1.251 118.394 119.600 0.074 0.000 2.511 261 M HA 0.496 4.976 4.480 -0.000 0.000 0.387 261 M C -0.428 175.931 176.300 0.098 0.000 1.112 261 M CA -0.325 55.026 55.300 0.085 0.000 0.921 261 M CB 0.298 32.896 32.600 -0.005 0.000 1.501 261 M HN -0.251 nan 8.290 nan 0.000 0.538 262 L N 4.226 125.515 121.223 0.109 0.000 2.456 262 L HA 0.430 4.770 4.340 -0.000 0.000 0.272 262 L C -2.142 174.782 176.870 0.090 0.000 1.189 262 L CA -1.472 53.430 54.840 0.104 0.000 0.846 262 L CB 0.211 42.324 42.059 0.090 0.000 1.111 262 L HN 0.101 nan 8.230 nan 0.000 0.475 263 P HA 0.329 nan 4.420 nan 0.000 0.285 263 P C -1.400 175.949 177.300 0.081 0.000 1.280 263 P CA -0.553 62.599 63.100 0.086 0.000 0.862 263 P CB 2.153 33.919 31.700 0.110 0.000 1.153 264 S N -0.254 115.490 115.700 0.072 0.000 2.556 264 S HA 0.833 5.303 4.470 -0.000 0.000 0.271 264 S C -1.534 173.077 174.600 0.017 0.000 1.135 264 S CA -0.829 57.395 58.200 0.040 0.000 0.858 264 S CB 1.422 64.620 63.200 -0.005 0.000 1.114 264 S HN 0.658 nan 8.310 nan 0.000 0.468 265 A N 1.491 124.272 122.820 -0.065 0.000 2.427 265 A HA 0.784 5.104 4.320 -0.000 0.000 0.298 265 A C -0.534 176.849 177.584 -0.336 0.000 1.036 265 A CA -0.693 51.168 52.037 -0.294 0.000 0.701 265 A CB 1.716 20.596 19.000 -0.201 0.000 1.250 265 A HN 0.842 nan 8.150 nan 0.000 0.412 266 S N 2.265 117.709 115.700 -0.426 0.000 2.420 266 S HA 0.640 5.109 4.470 -0.000 0.000 0.313 266 S C -0.186 174.166 174.600 -0.413 0.000 1.079 266 S CA -0.303 57.702 58.200 -0.325 0.000 1.104 266 S CB -0.012 63.052 63.200 -0.227 0.000 0.969 266 S HN 0.549 nan 8.310 nan 0.000 0.471 267 L N 3.379 124.355 121.223 -0.413 0.000 2.271 267 L HA 0.771 5.110 4.340 -0.000 0.000 0.265 267 L C 0.280 176.782 176.870 -0.612 0.000 1.013 267 L CA -1.236 53.341 54.840 -0.438 0.000 0.820 267 L CB 1.483 43.296 42.059 -0.409 0.000 1.352 267 L HN 0.570 nan 8.230 nan 0.000 0.443 268 R N -1.547 118.637 120.500 -0.528 0.000 2.846 268 R HA 0.515 4.855 4.340 -0.000 0.000 0.263 268 R C 0.157 176.303 176.300 -0.256 0.000 1.080 268 R CA -0.645 55.038 56.100 -0.695 0.000 0.961 268 R CB 1.143 31.322 30.300 -0.203 0.000 1.231 268 R HN 0.416 nan 8.270 nan 0.000 0.465 269 S N 0.552 116.347 115.700 0.159 0.000 2.380 269 S HA -0.241 4.229 4.470 -0.000 0.000 0.229 269 S C 0.847 175.506 174.600 0.097 0.000 1.050 269 S CA 2.179 60.514 58.200 0.225 0.000 1.100 269 S CB -0.647 62.709 63.200 0.260 0.000 0.984 269 S HN 0.799 nan 8.310 nan 0.000 0.434 270 D N 0.482 120.930 120.400 0.079 0.000 2.045 270 D HA -0.025 4.614 4.640 -0.000 0.000 0.280 270 D C 0.804 177.129 176.300 0.041 0.000 1.117 270 D CA 0.103 54.140 54.000 0.061 0.000 1.001 270 D CB -0.007 40.831 40.800 0.065 0.000 1.159 270 D HN 0.162 nan 8.370 nan 0.000 0.477 271 R N -1.704 118.825 120.500 0.048 0.000 2.565 271 R HA 0.188 4.528 4.340 -0.000 0.000 0.347 271 R C -0.257 176.050 176.300 0.012 0.000 1.010 271 R CA -0.582 55.524 56.100 0.010 0.000 1.126 271 R CB -0.031 30.255 30.300 -0.023 0.000 1.331 271 R HN 0.288 nan 8.270 nan 0.000 0.552 272 F N 1.090 120.997 119.950 -0.071 0.000 2.443 272 F HA 0.456 4.983 4.527 -0.000 0.000 0.353 272 F C 0.465 176.224 175.800 -0.068 0.000 1.101 272 F CA 0.256 58.221 58.000 -0.058 0.000 1.226 272 F CB 1.022 39.998 39.000 -0.040 0.000 1.140 272 F HN -0.029 nan 8.300 nan 0.000 0.557 273 G N 5.887 114.238 108.800 -0.748 0.000 2.690 273 G HA2 0.482 4.442 3.960 -0.000 0.000 0.293 273 G HA3 0.482 4.442 3.960 -0.000 0.000 0.293 273 G C -2.086 172.363 174.900 -0.752 0.000 1.399 273 G CA -1.026 43.691 45.100 -0.638 0.000 0.890 273 G HN 0.765 nan 8.290 nan 0.000 0.485 274 M N 1.241 120.401 119.600 -0.732 0.000 2.243 274 M HA 0.680 5.160 4.480 -0.000 0.000 0.324 274 M C -1.845 174.094 176.300 -0.602 0.000 1.031 274 M CA -0.801 54.236 55.300 -0.437 0.000 0.949 274 M CB 1.401 33.855 32.600 -0.243 0.000 1.615 274 M HN 0.505 nan 8.290 nan 0.000 0.430 275 Y N 2.906 123.153 120.300 -0.088 0.000 2.376 275 Y HA 0.578 5.128 4.550 -0.000 0.000 0.340 275 Y C -0.579 175.299 175.900 -0.038 0.000 0.965 275 Y CA -0.674 57.400 58.100 -0.044 0.000 1.078 275 Y CB 1.531 39.981 38.460 -0.017 0.000 1.193 275 Y HN 0.638 nan 8.280 nan 0.000 0.452 276 E N 2.951 123.188 120.200 0.062 0.000 2.392 276 E HA 0.488 4.837 4.350 -0.000 0.000 0.279 276 E C -3.371 173.202 176.600 -0.046 0.000 0.964 276 E CA -2.684 53.712 56.400 -0.007 0.000 0.777 276 E CB 2.882 32.553 29.700 -0.049 0.000 1.249 276 E HN 0.142 nan 8.360 nan 0.000 0.449 277 P HA -0.007 nan 4.420 nan 0.000 0.275 277 P C 0.910 178.082 177.300 -0.214 0.000 1.228 277 P CA -0.450 62.532 63.100 -0.197 0.000 0.786 277 P CB 1.391 32.828 31.700 -0.438 0.000 0.927 278 V N 1.191 121.053 119.914 -0.088 0.000 2.490 278 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 278 V C 1.504 177.580 176.094 -0.031 0.000 1.061 278 V CA 1.756 64.035 62.300 -0.035 0.000 1.064 278 V CB -2.083 29.758 31.823 0.029 0.000 0.670 278 V HN 0.755 nan 8.190 nan 0.000 0.461 279 H N -0.153 118.930 119.070 0.021 0.000 2.745 279 H HA 0.512 5.067 4.556 -0.000 0.000 0.373 279 H C 0.630 175.967 175.328 0.015 0.000 1.226 279 H CA -0.023 56.035 56.048 0.018 0.000 1.435 279 H CB 0.156 29.927 29.762 0.016 0.000 1.461 279 H HN 0.117 nan 8.280 nan 0.000 0.616 280 G N -0.586 108.359 108.800 0.242 0.000 2.508 280 G HA2 0.239 4.199 3.960 -0.000 0.000 0.278 280 G HA3 0.239 4.199 3.960 -0.000 0.000 0.278 280 G C 0.827 175.860 174.900 0.221 0.000 1.389 280 G CA -0.318 44.876 45.100 0.156 0.000 1.050 280 G HN 0.854 nan 8.290 nan 0.000 0.522 281 S N -1.313 114.461 115.700 0.123 0.000 2.461 281 S HA 0.278 4.748 4.470 -0.000 0.000 0.228 281 S C 1.583 176.245 174.600 0.103 0.000 1.005 281 S CA 1.141 59.410 58.200 0.114 0.000 0.942 281 S CB -0.332 62.919 63.200 0.084 0.000 0.776 281 S HN 2.202 nan 8.310 nan 0.000 0.514 282 A N 2.739 125.611 122.820 0.086 0.000 2.203 282 A HA -0.096 4.224 4.320 -0.000 0.000 0.279 282 A C -0.408 177.206 177.584 0.049 0.000 1.396 282 A CA 0.599 52.666 52.037 0.051 0.000 0.747 282 A CB -1.645 17.366 19.000 0.018 0.000 1.151 282 A HN 0.568 nan 8.150 nan 0.000 0.345 283 P HA -0.209 nan 4.420 nan 0.000 0.218 283 P C 1.075 178.395 177.300 0.034 0.000 1.149 283 P CA 1.448 64.584 63.100 0.060 0.000 0.817 283 P CB -0.072 31.674 31.700 0.078 0.000 0.785 284 D N 2.054 122.468 120.400 0.024 0.000 2.126 284 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 284 D C 1.860 178.165 176.300 0.008 0.000 1.001 284 D CA 1.463 55.470 54.000 0.012 0.000 0.841 284 D CB -1.416 39.388 40.800 0.008 0.000 0.949 284 D HN 0.400 nan 8.370 nan 0.000 0.446 285 I N -2.740 117.835 120.570 0.007 0.000 3.891 285 I HA 0.470 4.640 4.170 -0.000 0.000 0.331 285 I C 0.538 176.660 176.117 0.008 0.000 1.406 285 I CA -0.732 60.569 61.300 0.002 0.000 1.139 285 I CB -0.028 37.967 38.000 -0.008 0.000 1.056 285 I HN -0.110 nan 8.210 nan 0.000 0.399 286 A N 1.606 124.437 122.820 0.018 0.000 2.548 286 A HA 0.443 4.763 4.320 -0.000 0.000 0.247 286 A C 1.606 179.202 177.584 0.019 0.000 1.067 286 A CA 0.725 52.777 52.037 0.026 0.000 0.757 286 A CB -0.559 18.467 19.000 0.043 0.000 0.996 286 A HN 1.112 nan 8.150 nan 0.000 0.504 287 G N 1.703 110.514 108.800 0.017 0.000 2.267 287 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 287 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 287 G C 0.770 175.673 174.900 0.005 0.000 0.998 287 G CA 0.792 45.900 45.100 0.012 0.000 0.620 287 G HN 0.816 nan 8.290 nan 0.000 0.529 288 Q N 0.271 120.073 119.800 0.003 0.000 2.515 288 Q HA 0.376 4.716 4.340 -0.000 0.000 0.214 288 Q C 1.986 177.984 176.000 -0.003 0.000 0.971 288 Q CA 0.791 56.594 55.803 -0.000 0.000 0.952 288 Q CB -0.124 28.613 28.738 -0.001 0.000 0.999 288 Q HN 1.591 nan 8.270 nan 0.000 0.524 289 G N 1.277 110.075 108.800 -0.004 0.000 2.168 289 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.257 289 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.257 289 G C 0.687 175.581 174.900 -0.010 0.000 0.997 289 G CA 0.814 45.910 45.100 -0.007 0.000 0.708 289 G HN 0.378 nan 8.290 nan 0.000 0.520 290 K N -0.008 120.385 120.400 -0.012 0.000 2.379 290 K HA 0.494 4.814 4.320 -0.000 0.000 0.194 290 K C 1.587 178.170 176.600 -0.030 0.000 1.031 290 K CA 0.428 56.705 56.287 -0.017 0.000 1.037 290 K CB 0.464 32.955 32.500 -0.015 0.000 0.824 290 K HN 0.587 nan 8.250 nan 0.000 0.516 291 A N 2.354 125.155 122.820 -0.031 0.000 2.498 291 A HA -0.004 4.315 4.320 -0.000 0.000 0.239 291 A C 0.023 177.572 177.584 -0.059 0.000 1.068 291 A CA -0.159 51.846 52.037 -0.053 0.000 0.766 291 A CB 0.028 19.010 19.000 -0.030 0.000 1.003 291 A HN 0.171 nan 8.150 nan 0.000 0.497 292 N N 3.293 121.932 118.700 -0.102 0.000 2.415 292 N HA 0.191 4.930 4.740 -0.000 0.000 0.246 292 N C -1.548 173.939 175.510 -0.038 0.000 1.078 292 N CA -2.076 50.927 53.050 -0.079 0.000 0.942 292 N CB 1.151 39.572 38.487 -0.109 0.000 1.140 292 N HN 0.360 nan 8.380 nan 0.000 0.501 293 P HA -0.092 nan 4.420 nan 0.000 0.223 293 P C 1.647 178.966 177.300 0.032 0.000 1.151 293 P CA 0.517 63.630 63.100 0.021 0.000 0.787 293 P CB 0.550 32.248 31.700 -0.003 0.000 0.788 294 L N -0.258 120.968 121.223 0.004 0.000 2.064 294 L HA -0.198 4.142 4.340 -0.000 0.000 0.216 294 L C 2.782 179.670 176.870 0.030 0.000 1.077 294 L CA 2.194 57.028 54.840 -0.009 0.000 0.766 294 L CB -1.801 40.221 42.059 -0.061 0.000 0.890 294 L HN 0.105 nan 8.230 nan 0.000 0.435 295 G N -0.824 108.034 108.800 0.096 0.000 2.421 295 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 295 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 295 G C 1.543 176.493 174.900 0.082 0.000 1.171 295 G CA 1.252 46.430 45.100 0.130 0.000 0.775 295 G HN 0.337 nan 8.290 nan 0.000 0.543 296 T N 0.828 115.437 114.554 0.092 0.000 2.867 296 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 296 T C 2.508 177.230 174.700 0.037 0.000 1.057 296 T CA 1.048 63.178 62.100 0.050 0.000 1.136 296 T CB -0.150 68.751 68.868 0.055 0.000 0.874 296 T HN 0.063 nan 8.240 nan 0.000 0.466 297 V N 1.531 121.463 119.914 0.030 0.000 2.358 297 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 297 V C 2.440 178.542 176.094 0.014 0.000 1.047 297 V CA 1.394 63.701 62.300 0.011 0.000 1.035 297 V CB -0.609 31.213 31.823 -0.001 0.000 0.658 297 V HN 0.446 nan 8.190 nan 0.000 0.452 298 L N -0.433 120.807 121.223 0.029 0.000 2.201 298 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 298 L C 2.535 179.435 176.870 0.050 0.000 1.105 298 L CA 1.095 55.961 54.840 0.044 0.000 0.775 298 L CB -0.475 41.627 42.059 0.071 0.000 0.913 298 L HN 0.296 nan 8.230 nan 0.000 0.440 299 S N 0.012 115.748 115.700 0.061 0.000 2.371 299 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 299 S C 2.237 176.855 174.600 0.031 0.000 1.029 299 S CA 1.079 59.341 58.200 0.103 0.000 0.978 299 S CB -0.145 63.125 63.200 0.116 0.000 0.833 299 S HN 0.487 nan 8.310 nan 0.000 0.466 300 A N 1.652 124.469 122.820 -0.006 0.000 1.933 300 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 300 A C 2.322 179.836 177.584 -0.117 0.000 1.175 300 A CA 1.700 53.698 52.037 -0.065 0.000 0.628 300 A CB -1.022 17.966 19.000 -0.020 0.000 0.814 300 A HN 0.504 nan 8.150 nan 0.000 0.444 301 A N -0.102 122.674 122.820 -0.073 0.000 1.908 301 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 301 A C 2.152 179.635 177.584 -0.168 0.000 1.181 301 A CA 1.560 53.542 52.037 -0.090 0.000 0.627 301 A CB -0.623 18.352 19.000 -0.041 0.000 0.818 301 A HN 0.488 nan 8.150 nan 0.000 0.445 302 L N -1.228 119.905 121.223 -0.149 0.000 2.083 302 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 302 L C 2.811 179.435 176.870 -0.411 0.000 1.083 302 L CA 1.616 56.334 54.840 -0.204 0.000 0.752 302 L CB -0.475 41.702 42.059 0.197 0.000 0.899 302 L HN 0.584 nan 8.230 nan 0.000 0.433 303 M N 0.169 119.303 119.600 -0.776 0.000 2.067 303 M HA -0.235 4.244 4.480 -0.000 0.000 0.260 303 M C 2.238 178.320 176.300 -0.364 0.000 1.069 303 M CA 1.899 56.469 55.300 -1.216 0.000 1.117 303 M CB -0.097 31.912 32.600 -0.985 0.000 1.334 303 M HN 0.194 nan 8.290 nan 0.000 0.407 304 L N -0.555 120.573 121.223 -0.159 0.000 2.261 304 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 304 L C 2.650 179.494 176.870 -0.043 0.000 1.114 304 L CA 1.186 56.040 54.840 0.022 0.000 0.777 304 L CB -0.783 41.231 42.059 -0.075 0.000 0.910 304 L HN 0.457 nan 8.230 nan 0.000 0.440 305 R N -0.757 119.615 120.500 -0.213 0.000 2.074 305 R HA -0.082 4.258 4.340 -0.000 0.000 0.218 305 R C 2.307 178.499 176.300 -0.180 0.000 1.137 305 R CA 0.821 56.761 56.100 -0.267 0.000 0.998 305 R CB -0.118 29.877 30.300 -0.508 0.000 0.895 305 R HN 0.125 nan 8.270 nan 0.000 0.442 306 Y N -0.057 120.228 120.300 -0.024 0.000 2.365 306 Y HA 0.194 4.743 4.550 -0.001 0.000 0.293 306 Y C 2.166 178.008 175.900 -0.097 0.000 1.119 306 Y CA 0.582 58.678 58.100 -0.006 0.000 1.203 306 Y CB 0.086 38.603 38.460 0.096 0.000 1.026 306 Y HN 0.027 nan 8.280 nan 0.000 0.549 307 S N -1.419 114.208 115.700 -0.122 0.000 2.535 307 S HA 0.180 4.650 4.470 -0.000 0.000 0.214 307 S C 0.268 174.240 174.600 -1.046 0.000 0.980 307 S CA 0.154 58.016 58.200 -0.564 0.000 0.907 307 S CB -0.027 62.710 63.200 -0.772 0.000 0.790 307 S HN 0.336 nan 8.310 nan 0.000 0.510 308 F N -0.429 119.503 119.950 -0.029 0.000 3.022 308 F HA 0.314 4.841 4.527 -0.000 0.000 0.351 308 F C 1.420 177.191 175.800 -0.048 0.000 1.170 308 F CA -0.265 57.706 58.000 -0.048 0.000 1.066 308 F CB -0.092 38.845 39.000 -0.105 0.000 1.297 308 F HN 0.104 nan 8.300 nan 0.000 0.519 309 G N 1.565 110.405 108.800 0.068 0.000 2.225 309 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.272 309 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.272 309 G C 0.481 175.398 174.900 0.027 0.000 0.996 309 G CA 0.507 45.636 45.100 0.047 0.000 0.710 309 G HN 0.392 nan 8.290 nan 0.000 0.522 310 L N 0.279 121.510 121.223 0.012 0.000 2.437 310 L HA 0.255 4.594 4.340 -0.000 0.000 0.243 310 L C 1.774 178.610 176.870 -0.057 0.000 1.346 310 L CA -0.089 54.719 54.840 -0.052 0.000 1.233 310 L CB 0.236 42.201 42.059 -0.157 0.000 1.436 310 L HN 0.204 nan 8.230 nan 0.000 0.416 311 E N 1.886 122.066 120.200 -0.034 0.000 2.070 311 E HA -0.280 4.070 4.350 -0.000 0.000 0.197 311 E C 2.095 178.675 176.600 -0.034 0.000 1.004 311 E CA 1.785 58.162 56.400 -0.038 0.000 0.805 311 E CB 0.143 29.835 29.700 -0.014 0.000 0.744 311 E HN 0.495 nan 8.360 nan 0.000 0.451 312 K N 0.093 120.482 120.400 -0.018 0.000 2.020 312 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 312 K C 1.978 178.566 176.600 -0.020 0.000 1.050 312 K CA 1.951 58.233 56.287 -0.009 0.000 0.929 312 K CB -0.160 32.346 32.500 0.011 0.000 0.714 312 K HN 0.007 nan 8.250 nan 0.000 0.443 313 E N 0.473 120.650 120.200 -0.038 0.000 2.058 313 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 313 E C 1.883 178.454 176.600 -0.049 0.000 0.997 313 E CA 1.568 57.939 56.400 -0.048 0.000 0.801 313 E CB -0.439 29.206 29.700 -0.092 0.000 0.746 313 E HN 0.481 nan 8.360 nan 0.000 0.450 314 A N 1.079 123.859 122.820 -0.067 0.000 1.873 314 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 314 A C 2.419 179.977 177.584 -0.043 0.000 1.193 314 A CA 2.548 54.541 52.037 -0.074 0.000 0.629 314 A CB -1.162 17.768 19.000 -0.116 0.000 0.826 314 A HN 0.311 nan 8.150 nan 0.000 0.447 315 A N -0.430 122.371 122.820 -0.033 0.000 1.940 315 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 315 A C 2.509 180.093 177.584 0.001 0.000 1.176 315 A CA 2.258 54.288 52.037 -0.011 0.000 0.631 315 A CB -1.040 17.955 19.000 -0.009 0.000 0.814 315 A HN 1.193 nan 8.150 nan 0.000 0.446 316 A N -0.142 122.676 122.820 -0.004 0.000 1.933 316 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 316 A C 2.125 179.712 177.584 0.006 0.000 1.175 316 A CA 1.568 53.606 52.037 0.003 0.000 0.628 316 A CB -0.542 18.458 19.000 -0.001 0.000 0.814 316 A HN 0.524 nan 8.150 nan 0.000 0.444 317 I N -0.651 119.918 120.570 -0.001 0.000 2.193 317 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 317 I C 2.472 178.602 176.117 0.022 0.000 1.084 317 I CA 1.454 62.756 61.300 0.002 0.000 1.365 317 I CB -0.580 37.414 38.000 -0.011 0.000 1.064 317 I HN 0.408 nan 8.210 nan 0.000 0.410 318 E N 0.995 121.215 120.200 0.033 0.000 2.085 318 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 318 E C 2.108 178.767 176.600 0.099 0.000 0.994 318 E CA 1.296 57.743 56.400 0.080 0.000 0.801 318 E CB -0.164 29.580 29.700 0.074 0.000 0.743 318 E HN 0.372 nan 8.360 nan 0.000 0.453 319 K N 0.712 121.150 120.400 0.063 0.000 2.148 319 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 319 K C 2.086 178.722 176.600 0.060 0.000 1.050 319 K CA 0.942 57.268 56.287 0.064 0.000 0.942 319 K CB -0.014 32.509 32.500 0.039 0.000 0.724 319 K HN 0.087 nan 8.250 nan 0.000 0.446 320 A N 0.547 123.392 122.820 0.041 0.000 1.898 320 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 320 A C 2.157 179.758 177.584 0.028 0.000 1.181 320 A CA 1.322 53.375 52.037 0.027 0.000 0.620 320 A CB -0.485 18.521 19.000 0.010 0.000 0.819 320 A HN 0.148 nan 8.150 nan 0.000 0.442 321 V N 0.590 120.522 119.914 0.029 0.000 2.407 321 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 321 V C 2.316 178.414 176.094 0.007 0.000 1.055 321 V CA 2.481 64.776 62.300 -0.008 0.000 1.049 321 V CB -0.819 30.986 31.823 -0.029 0.000 0.662 321 V HN 0.725 nan 8.190 nan 0.000 0.455 322 D N 0.159 120.628 120.400 0.116 0.000 2.097 322 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 322 D C 1.804 178.174 176.300 0.118 0.000 0.989 322 D CA 1.570 55.690 54.000 0.200 0.000 0.827 322 D CB -0.116 40.824 40.800 0.234 0.000 0.966 322 D HN 0.417 nan 8.370 nan 0.000 0.456 323 D N -0.199 120.252 120.400 0.085 0.000 2.097 323 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 323 D C 2.337 178.685 176.300 0.079 0.000 0.989 323 D CA 0.774 54.817 54.000 0.071 0.000 0.827 323 D CB -0.463 40.370 40.800 0.055 0.000 0.966 323 D HN 0.179 nan 8.370 nan 0.000 0.456 324 V N 1.230 121.185 119.914 0.069 0.000 2.469 324 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 324 V C 2.606 178.781 176.094 0.134 0.000 1.064 324 V CA 1.112 63.472 62.300 0.100 0.000 1.066 324 V CB -0.422 31.425 31.823 0.040 0.000 0.667 324 V HN 0.189 nan 8.190 nan 0.000 0.461 325 L N -0.725 120.538 121.223 0.066 0.000 2.095 325 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 325 L C 2.607 179.508 176.870 0.051 0.000 1.080 325 L CA 1.275 56.139 54.840 0.040 0.000 0.759 325 L CB -0.460 41.588 42.059 -0.018 0.000 0.914 325 L HN 0.314 nan 8.230 nan 0.000 0.439 326 Q N 0.291 120.131 119.800 0.068 0.000 2.234 326 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 326 Q C 1.281 177.300 176.000 0.031 0.000 0.980 326 Q CA 1.514 57.350 55.803 0.055 0.000 0.869 326 Q CB -0.057 28.719 28.738 0.063 0.000 0.912 326 Q HN 0.378 nan 8.270 nan 0.000 0.436 327 D N -1.516 118.916 120.400 0.053 0.000 2.349 327 D HA 0.134 4.774 4.640 -0.000 0.000 0.224 327 D C 0.642 176.843 176.300 -0.165 0.000 1.029 327 D CA 0.923 54.934 54.000 0.017 0.000 0.879 327 D CB 0.181 41.092 40.800 0.184 0.000 0.906 327 D HN 0.405 nan 8.370 nan 0.000 0.528 328 G N 0.553 109.281 108.800 -0.120 0.000 2.149 328 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.235 328 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.235 328 G C -0.364 174.370 174.900 -0.277 0.000 1.018 328 G CA -0.391 44.592 45.100 -0.195 0.000 0.728 328 G HN 0.259 nan 8.290 nan 0.000 0.508 329 Y N 0.238 120.528 120.300 -0.016 0.000 2.326 329 Y HA 0.587 5.137 4.550 -0.000 0.000 0.337 329 Y C 1.155 177.036 175.900 -0.032 0.000 1.023 329 Y CA -0.470 57.618 58.100 -0.021 0.000 1.143 329 Y CB 1.110 39.558 38.460 -0.021 0.000 1.183 329 Y HN 0.801 nan 8.280 nan 0.000 0.485 330 C N -0.684 118.696 119.300 0.134 0.000 3.318 330 C HA 0.548 5.008 4.460 -0.000 0.000 0.322 330 C C 1.058 176.077 174.990 0.050 0.000 1.398 330 C CA -0.206 58.846 59.018 0.056 0.000 1.339 330 C CB 1.326 29.073 27.740 0.012 0.000 1.668 330 C HN 0.885 nan 8.230 nan 0.000 0.462 331 T N -2.292 112.270 114.554 0.014 0.000 3.129 331 T HA 0.474 4.824 4.350 -0.000 0.000 0.251 331 T C 1.381 176.080 174.700 -0.002 0.000 1.117 331 T CA 1.221 63.324 62.100 0.005 0.000 1.034 331 T CB -0.130 68.728 68.868 -0.017 0.000 0.968 331 T HN 2.703 nan 8.240 nan 0.000 0.526 332 G N 1.914 110.711 108.800 -0.004 0.000 2.205 332 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.180 332 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.180 332 G C 0.574 175.465 174.900 -0.016 0.000 1.004 332 G CA 0.413 45.508 45.100 -0.008 0.000 0.670 332 G HN 0.612 nan 8.290 nan 0.000 0.496 333 D N 0.131 120.516 120.400 -0.024 0.000 2.431 333 D HA 0.161 4.801 4.640 -0.000 0.000 0.235 333 D C 1.342 177.629 176.300 -0.022 0.000 0.980 333 D CA -0.037 53.945 54.000 -0.029 0.000 0.912 333 D CB -0.114 40.655 40.800 -0.051 0.000 1.056 333 D HN 0.431 nan 8.370 nan 0.000 0.494 334 L N 0.973 122.183 121.223 -0.022 0.000 2.417 334 L HA 0.217 4.557 4.340 -0.000 0.000 0.268 334 L C 0.238 177.102 176.870 -0.010 0.000 1.158 334 L CA -0.220 54.610 54.840 -0.015 0.000 0.819 334 L CB 0.999 43.045 42.059 -0.022 0.000 1.112 334 L HN -0.120 nan 8.230 nan 0.000 0.458 335 Q N 2.193 121.991 119.800 -0.004 0.000 2.963 335 Q HA 0.239 4.579 4.340 -0.000 0.000 0.262 335 Q C -0.817 175.181 176.000 -0.003 0.000 1.318 335 Q CA -0.354 55.447 55.803 -0.003 0.000 1.089 335 Q CB 0.791 29.530 28.738 0.001 0.000 1.424 335 Q HN 0.383 nan 8.270 nan 0.000 0.560 336 V N 1.108 121.017 119.914 -0.010 0.000 2.614 336 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 336 V C 0.604 176.686 176.094 -0.020 0.000 1.049 336 V CA -0.749 61.544 62.300 -0.011 0.000 1.038 336 V CB 0.968 32.779 31.823 -0.021 0.000 0.980 336 V HN 0.617 nan 8.190 nan 0.000 0.481 337 A N 4.797 127.610 122.820 -0.013 0.000 2.492 337 A HA 0.322 4.642 4.320 -0.000 0.000 0.254 337 A C 0.969 178.530 177.584 -0.038 0.000 1.091 337 A CA -0.056 51.970 52.037 -0.018 0.000 0.768 337 A CB -0.577 18.420 19.000 -0.005 0.000 1.028 337 A HN 1.093 nan 8.150 nan 0.000 0.498 338 N N 0.698 119.372 118.700 -0.043 0.000 2.780 338 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 338 N C 0.543 175.995 175.510 -0.096 0.000 1.102 338 N CA 0.929 53.943 53.050 -0.060 0.000 0.697 338 N CB -1.567 36.885 38.487 -0.059 0.000 1.028 338 N HN 1.218 nan 8.380 nan 0.000 0.554 339 G N 0.554 109.304 108.800 -0.082 0.000 2.368 339 G HA2 0.169 4.129 3.960 -0.000 0.000 0.233 339 G HA3 0.169 4.129 3.960 -0.000 0.000 0.233 339 G C 0.071 174.892 174.900 -0.131 0.000 1.267 339 G CA 0.207 45.247 45.100 -0.100 0.000 0.873 339 G HN 0.283 nan 8.290 nan 0.000 0.539 340 K N 1.491 121.785 120.400 -0.177 0.000 2.640 340 K HA 0.340 4.660 4.320 -0.000 0.000 0.245 340 K C -0.808 175.788 176.600 -0.007 0.000 0.962 340 K CA -0.686 55.498 56.287 -0.172 0.000 0.896 340 K CB 2.476 34.664 32.500 -0.520 0.000 1.147 340 K HN 0.274 nan 8.250 nan 0.000 0.445 341 V N 4.089 124.021 119.914 0.030 0.000 2.461 341 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 341 V C 0.413 176.565 176.094 0.097 0.000 1.047 341 V CA -0.510 61.826 62.300 0.060 0.000 0.955 341 V CB 0.920 32.759 31.823 0.026 0.000 0.988 341 V HN 0.581 nan 8.190 nan 0.000 0.471 342 V N 1.993 121.969 119.914 0.103 0.000 3.119 342 V HA 0.883 5.002 4.120 -0.000 0.000 0.311 342 V C -0.041 176.069 176.094 0.026 0.000 1.259 342 V CA -0.498 61.844 62.300 0.070 0.000 1.067 342 V CB 1.913 33.777 31.823 0.068 0.000 1.123 342 V HN 0.819 nan 8.190 nan 0.000 0.463 343 S N -0.961 114.740 115.700 0.003 0.000 2.713 343 S HA 0.388 4.858 4.470 -0.000 0.000 0.283 343 S C 0.970 175.559 174.600 -0.019 0.000 1.161 343 S CA 0.311 58.506 58.200 -0.008 0.000 0.999 343 S CB 1.017 64.210 63.200 -0.012 0.000 1.039 343 S HN 0.959 nan 8.310 nan 0.000 0.548 344 T N 1.679 116.222 114.554 -0.019 0.000 2.635 344 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 344 T C 1.806 176.486 174.700 -0.032 0.000 1.040 344 T CA 1.507 63.592 62.100 -0.024 0.000 1.156 344 T CB -0.502 68.355 68.868 -0.018 0.000 0.863 344 T HN 0.537 nan 8.240 nan 0.000 0.430 345 I N 1.395 121.946 120.570 -0.031 0.000 2.151 345 I HA -0.177 3.992 4.170 -0.000 0.000 0.243 345 I C 2.590 178.675 176.117 -0.053 0.000 1.080 345 I CA 1.563 62.840 61.300 -0.038 0.000 1.339 345 I CB -1.159 36.822 38.000 -0.033 0.000 1.039 345 I HN 0.410 nan 8.210 nan 0.000 0.409 346 E N 0.435 120.600 120.200 -0.058 0.000 2.047 346 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 346 E C 2.268 178.791 176.600 -0.128 0.000 0.987 346 E CA 0.851 57.197 56.400 -0.091 0.000 0.799 346 E CB -0.068 29.578 29.700 -0.089 0.000 0.752 346 E HN 0.255 nan 8.360 nan 0.000 0.449 347 L N 0.849 122.011 121.223 -0.102 0.000 2.127 347 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 347 L C 2.192 179.006 176.870 -0.093 0.000 1.089 347 L CA 1.737 56.513 54.840 -0.107 0.000 0.757 347 L CB -0.464 41.567 42.059 -0.047 0.000 0.899 347 L HN 0.097 nan 8.230 nan 0.000 0.434 348 T N -1.055 113.455 114.554 -0.072 0.000 2.737 348 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 348 T C 1.503 176.161 174.700 -0.070 0.000 1.038 348 T CA 1.317 63.381 62.100 -0.061 0.000 1.144 348 T CB -0.355 68.483 68.868 -0.050 0.000 0.866 348 T HN 0.359 nan 8.240 nan 0.000 0.434 349 D N 1.217 121.569 120.400 -0.079 0.000 2.133 349 D HA -0.088 4.552 4.640 -0.000 0.000 0.195 349 D C 2.348 178.593 176.300 -0.092 0.000 0.997 349 D CA 1.074 55.027 54.000 -0.079 0.000 0.840 349 D CB -0.227 40.523 40.800 -0.083 0.000 0.947 349 D HN 0.342 nan 8.370 nan 0.000 0.452 350 R N -0.060 120.361 120.500 -0.132 0.000 2.115 350 R HA -0.000 4.339 4.340 -0.000 0.000 0.230 350 R C 2.542 178.788 176.300 -0.089 0.000 1.111 350 R CA 0.411 56.421 56.100 -0.149 0.000 0.976 350 R CB -0.170 29.962 30.300 -0.279 0.000 0.870 350 R HN 0.219 nan 8.270 nan 0.000 0.445 351 L N 0.232 121.412 121.223 -0.072 0.000 2.044 351 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 351 L C 2.301 179.151 176.870 -0.034 0.000 1.075 351 L CA 1.193 56.008 54.840 -0.042 0.000 0.747 351 L CB -0.300 41.736 42.059 -0.038 0.000 0.903 351 L HN 0.145 nan 8.230 nan 0.000 0.435 352 I N -0.222 120.324 120.570 -0.040 0.000 2.208 352 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 352 I C 2.602 178.702 176.117 -0.028 0.000 1.097 352 I CA 1.476 62.757 61.300 -0.032 0.000 1.363 352 I CB -0.270 37.709 38.000 -0.036 0.000 1.051 352 I HN 0.372 nan 8.210 nan 0.000 0.413 353 E N 1.179 121.357 120.200 -0.037 0.000 2.051 353 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 353 E C 2.060 178.648 176.600 -0.020 0.000 0.991 353 E CA 1.079 57.461 56.400 -0.031 0.000 0.799 353 E CB 0.164 29.837 29.700 -0.045 0.000 0.748 353 E HN 0.155 nan 8.360 nan 0.000 0.449 354 K N 0.352 120.740 120.400 -0.019 0.000 2.360 354 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 354 K C 2.036 178.636 176.600 -0.001 0.000 1.046 354 K CA 0.574 56.858 56.287 -0.005 0.000 0.945 354 K CB -0.104 32.396 32.500 0.001 0.000 0.750 354 K HN 0.308 nan 8.250 nan 0.000 0.464 355 L N 0.618 121.838 121.223 -0.006 0.000 2.131 355 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 355 L C 0.950 177.820 176.870 -0.000 0.000 1.087 355 L CA 0.582 55.420 54.840 -0.002 0.000 0.767 355 L CB -0.200 41.855 42.059 -0.006 0.000 0.917 355 L HN 0.118 nan 8.230 nan 0.000 0.441 356 N N 0.000 118.698 118.700 -0.003 0.000 1.763 356 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 356 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 356 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 356 N HN 0.000 nan 8.380 nan 0.000 0.667