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 2j6l_1_D DATA FIRST_RESID 4 DATA SEQUENCE TLLINQPQYA WLKELGLREE NEGVYNGSWG GRGEVITTYC PANNEPIARV DATA SEQUENCE RQASVADYEE TVKKAREAWK IWADIPAPKR GEIVRQIGDA LREKIQVLGS DATA SEQUENCE LVSLEMGKIL VEGVGEVQEY VDICDYAVGL SRMIGGPILP SERSGHALIE DATA SEQUENCE QWNPVGLVGI ITAFNFPVAV YGWNNAIAMI CGNVCLWKGA PTTSLISVAV DATA SEQUENCE TKIIAKVLED NKLPGAICSL TCGGADIGTA MAKDERVNLL SFTGSTQVGK DATA SEQUENCE QVGLMVQERF GRSLLELGGN NAIIAFEDAD LSLVVPSALF AAVGTAGQRC DATA SEQUENCE TTARRLFIHE SIHDEVVNRL KKAYAQIRVG NPWDPNVLYG PLHTKQAVSM DATA SEQUENCE FLGAVEEAKK EGGTVVYGGK VMDRPGNYVE PTIVTGLGHD ASIAHTETFA DATA SEQUENCE PILYVFKFQN EEEVFAWNNE VKQGLSSSIF TKDLGRIFRW LGPKGSDCGI DATA SEQUENCE VNVNIPTSGA EIGGAFGGEK HTGGGRESGS DAWKQYMRRS TCTINYS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.659 174.700 -0.068 0.000 1.109 4 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 4 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 5 L N 2.741 123.905 121.223 -0.097 0.000 2.367 5 L HA 0.432 4.773 4.340 0.001 0.000 0.275 5 L C 1.822 178.590 176.870 -0.170 0.000 1.129 5 L CA -0.692 54.054 54.840 -0.156 0.000 0.839 5 L CB 0.827 42.789 42.059 -0.162 0.000 1.133 5 L HN 0.184 nan 8.230 nan 0.000 0.453 6 L N 3.415 124.480 121.223 -0.264 0.000 2.079 6 L HA -0.245 4.096 4.340 0.001 0.000 0.210 6 L C 2.218 178.915 176.870 -0.289 0.000 1.081 6 L CA 1.465 56.079 54.840 -0.377 0.000 0.752 6 L CB -0.268 41.287 42.059 -0.840 0.000 0.896 6 L HN 0.694 nan 8.230 nan 0.000 0.433 7 I N 0.133 120.522 120.570 -0.302 0.000 2.567 7 I HA -0.286 3.884 4.170 0.001 0.000 0.257 7 I C 1.516 177.534 176.117 -0.165 0.000 1.184 7 I CA 1.379 62.523 61.300 -0.260 0.000 1.451 7 I CB -0.103 37.741 38.000 -0.260 0.000 1.089 7 I HN 0.346 nan 8.210 nan 0.000 0.441 8 N N -0.239 118.387 118.700 -0.123 0.000 2.336 8 N HA 0.040 4.780 4.740 0.001 0.000 0.189 8 N C -0.278 175.205 175.510 -0.045 0.000 1.113 8 N CA -0.151 52.849 53.050 -0.083 0.000 0.858 8 N CB 0.299 38.740 38.487 -0.076 0.000 0.970 8 N HN 0.423 nan 8.380 nan 0.000 0.471 9 Q N 0.335 120.128 119.800 -0.011 0.000 2.241 9 Q HA 0.184 4.524 4.340 0.001 0.000 0.254 9 Q C -1.823 174.179 176.000 0.004 0.000 0.917 9 Q CA -1.985 53.840 55.803 0.036 0.000 0.919 9 Q CB 1.505 30.329 28.738 0.143 0.000 1.237 9 Q HN -0.004 nan 8.270 nan 0.000 0.434 10 P HA -0.300 nan 4.420 nan 0.000 0.216 10 P C 1.101 178.356 177.300 -0.075 0.000 1.150 10 P CA 1.584 64.659 63.100 -0.042 0.000 0.843 10 P CB 0.166 31.848 31.700 -0.031 0.000 0.787 11 Q N -1.769 117.950 119.800 -0.136 0.000 2.291 11 Q HA -0.169 4.171 4.340 0.001 0.000 0.206 11 Q C 0.724 176.513 176.000 -0.351 0.000 0.976 11 Q CA 1.436 57.086 55.803 -0.256 0.000 0.875 11 Q CB -0.862 27.642 28.738 -0.391 0.000 0.927 11 Q HN 0.305 nan 8.270 nan 0.000 0.450 12 Y N -0.224 119.956 120.300 -0.199 0.000 2.607 12 Y HA 0.506 5.057 4.550 0.001 0.000 0.266 12 Y C 1.953 177.402 175.900 -0.751 0.000 1.178 12 Y CA -0.208 57.514 58.100 -0.630 0.000 1.226 12 Y CB 0.126 38.235 38.460 -0.585 0.000 1.144 12 Y HN 0.235 nan 8.280 nan 0.000 0.528 13 A N 1.405 124.072 122.820 -0.255 0.000 1.986 13 A HA -0.210 4.111 4.320 0.001 0.000 0.220 13 A C 1.945 179.441 177.584 -0.146 0.000 1.171 13 A CA 1.750 53.688 52.037 -0.166 0.000 0.640 13 A CB -1.119 17.850 19.000 -0.052 0.000 0.811 13 A HN 0.840 nan 8.150 nan 0.000 0.451 14 W N -0.153 121.129 121.300 -0.029 0.000 2.341 14 W HA -0.160 4.500 4.660 0.001 0.000 0.283 14 W C 1.183 177.687 176.519 -0.026 0.000 1.215 14 W CA 0.887 58.214 57.345 -0.031 0.000 1.211 14 W CB -1.173 28.263 29.460 -0.039 0.000 1.131 14 W HN 0.270 nan 8.180 nan 0.000 0.552 15 L N 1.526 122.419 121.223 -0.550 0.000 2.187 15 L HA -0.195 4.146 4.340 0.001 0.000 0.213 15 L C 2.642 179.415 176.870 -0.162 0.000 1.100 15 L CA 1.625 56.214 54.840 -0.418 0.000 0.765 15 L CB -0.665 41.004 42.059 -0.650 0.000 0.904 15 L HN -0.064 nan 8.230 nan 0.000 0.437 16 K N -0.028 120.290 120.400 -0.137 0.000 2.283 16 K HA -0.141 4.180 4.320 0.001 0.000 0.202 16 K C 1.714 178.292 176.600 -0.036 0.000 1.048 16 K CA 0.855 57.088 56.287 -0.089 0.000 0.948 16 K CB -0.057 32.392 32.500 -0.085 0.000 0.742 16 K HN 0.425 nan 8.250 nan 0.000 0.458 17 E N 0.707 120.920 120.200 0.021 0.000 2.338 17 E HA -0.105 4.245 4.350 0.001 0.000 0.197 17 E C 1.262 177.883 176.600 0.034 0.000 1.007 17 E CA 0.624 57.051 56.400 0.045 0.000 0.849 17 E CB 0.048 29.808 29.700 0.099 0.000 0.774 17 E HN 0.279 nan 8.360 nan 0.000 0.506 18 L N -0.472 120.769 121.223 0.030 0.000 2.628 18 L HA 0.208 4.548 4.340 0.001 0.000 0.229 18 L C 1.210 178.053 176.870 -0.045 0.000 1.137 18 L CA 0.144 54.992 54.840 0.014 0.000 0.909 18 L CB 0.320 42.406 42.059 0.044 0.000 1.137 18 L HN 0.220 nan 8.230 nan 0.000 0.470 19 G N 0.466 109.224 108.800 -0.070 0.000 2.148 19 G HA2 -0.271 3.689 3.960 0.001 0.000 0.254 19 G HA3 -0.271 3.689 3.960 0.001 0.000 0.254 19 G C 0.215 175.019 174.900 -0.160 0.000 0.981 19 G CA -0.146 44.882 45.100 -0.119 0.000 0.670 19 G HN 0.230 nan 8.290 nan 0.000 0.528 20 L N -0.346 120.793 121.223 -0.141 0.000 2.395 20 L HA 0.712 5.053 4.340 0.001 0.000 0.269 20 L C 1.157 177.930 176.870 -0.161 0.000 1.133 20 L CA -0.438 54.306 54.840 -0.161 0.000 0.812 20 L CB 0.891 42.857 42.059 -0.156 0.000 1.125 20 L HN 0.255 nan 8.230 nan 0.000 0.452 21 R N 0.334 120.736 120.500 -0.163 0.000 2.947 21 R HA 0.195 4.536 4.340 0.001 0.000 0.253 21 R C 0.531 176.744 176.300 -0.145 0.000 1.208 21 R CA -0.841 55.171 56.100 -0.146 0.000 1.012 21 R CB 1.005 31.225 30.300 -0.134 0.000 1.267 21 R HN 0.587 nan 8.270 nan 0.000 0.473 22 E N 0.900 121.023 120.200 -0.128 0.000 2.085 22 E HA -0.199 4.151 4.350 0.001 0.000 0.194 22 E C -0.281 176.248 176.600 -0.119 0.000 0.994 22 E CA 1.502 57.828 56.400 -0.124 0.000 0.801 22 E CB 0.299 29.937 29.700 -0.103 0.000 0.743 22 E HN 0.381 nan 8.360 nan 0.000 0.453 23 E N 0.096 120.234 120.200 -0.104 0.000 2.246 23 E HA 0.245 4.595 4.350 0.001 0.000 0.266 23 E C -1.518 175.025 176.600 -0.096 0.000 0.880 23 E CA -0.722 55.623 56.400 -0.092 0.000 0.762 23 E CB 0.986 30.644 29.700 -0.070 0.000 1.180 23 E HN 0.116 nan 8.360 nan 0.000 0.416 24 N N 3.148 121.792 118.700 -0.094 0.000 2.269 24 N HA 0.206 4.947 4.740 0.001 0.000 0.304 24 N C -1.167 174.314 175.510 -0.047 0.000 1.072 24 N CA -0.755 52.230 53.050 -0.108 0.000 0.802 24 N CB 1.752 40.159 38.487 -0.133 0.000 1.348 24 N HN 0.435 nan 8.380 nan 0.000 0.484 25 E N 0.204 120.389 120.200 -0.025 0.000 2.366 25 E HA 0.191 4.542 4.350 0.001 0.000 0.266 25 E C 0.993 177.729 176.600 0.227 0.000 1.015 25 E CA 0.095 56.573 56.400 0.130 0.000 0.906 25 E CB 0.450 30.308 29.700 0.264 0.000 0.979 25 E HN 0.767 nan 8.360 nan 0.000 0.443 26 G N 2.090 110.996 108.800 0.177 0.000 3.233 26 G HA2 0.183 4.143 3.960 0.001 0.000 0.234 26 G HA3 0.183 4.143 3.960 0.001 0.000 0.234 26 G C -0.328 174.655 174.900 0.138 0.000 1.137 26 G CA -0.177 45.009 45.100 0.143 0.000 0.763 26 G HN 0.320 nan 8.290 nan 0.000 0.549 27 V N 0.584 120.609 119.914 0.186 0.000 2.487 27 V HA 0.522 4.643 4.120 0.001 0.000 0.298 27 V C -1.414 174.679 176.094 -0.001 0.000 1.028 27 V CA -1.043 61.303 62.300 0.077 0.000 0.860 27 V CB 1.539 33.391 31.823 0.047 0.000 0.991 27 V HN 0.242 nan 8.190 nan 0.000 0.427 28 Y N 5.268 125.349 120.300 -0.364 0.000 2.373 28 Y HA 0.590 5.140 4.550 0.001 0.000 0.336 28 Y C 0.077 175.729 175.900 -0.414 0.000 0.979 28 Y CA -1.053 56.599 58.100 -0.746 0.000 1.080 28 Y CB 1.992 39.655 38.460 -1.330 0.000 1.190 28 Y HN 0.747 nan 8.280 nan 0.000 0.446 29 N N 2.605 120.669 118.700 -1.061 0.000 2.390 29 N HA 0.370 5.110 4.740 0.001 0.000 0.259 29 N C 0.585 175.598 175.510 -0.828 0.000 1.395 29 N CA 0.151 52.754 53.050 -0.745 0.000 0.852 29 N CB 1.070 39.334 38.487 -0.371 0.000 1.371 29 N HN 0.957 nan 8.380 nan 0.000 0.491 30 G N -0.723 107.186 108.800 -1.485 0.000 2.349 30 G HA2 -0.216 3.744 3.960 0.001 0.000 0.213 30 G HA3 -0.216 3.744 3.960 0.001 0.000 0.213 30 G C -0.138 174.484 174.900 -0.463 0.000 1.044 30 G CA 0.165 44.821 45.100 -0.741 0.000 0.633 30 G HN 0.453 nan 8.290 nan 0.000 0.506 31 S N -0.367 115.054 115.700 -0.464 0.000 2.607 31 S HA 0.718 5.189 4.470 0.001 0.000 0.303 31 S C -1.042 173.436 174.600 -0.203 0.000 1.086 31 S CA -0.555 57.549 58.200 -0.160 0.000 0.995 31 S CB 1.513 64.679 63.200 -0.056 0.000 1.084 31 S HN 0.370 nan 8.310 nan 0.000 0.507 32 W N 0.545 121.911 121.300 0.109 0.000 2.496 32 W HA 0.677 5.338 4.660 0.001 0.000 0.327 32 W C 0.694 177.247 176.519 0.056 0.000 1.086 32 W CA 0.073 57.499 57.345 0.135 0.000 1.222 32 W CB 1.454 30.997 29.460 0.138 0.000 1.304 32 W HN 0.946 nan 8.180 nan 0.000 0.547 33 G N -0.104 108.875 108.800 0.297 0.000 2.588 33 G HA2 0.586 4.547 3.960 0.001 0.000 0.281 33 G HA3 0.586 4.547 3.960 0.001 0.000 0.281 33 G C -0.648 174.339 174.900 0.146 0.000 1.223 33 G CA -0.151 45.054 45.100 0.175 0.000 0.871 33 G HN 1.118 nan 8.290 nan 0.000 0.492 34 G N -0.922 107.931 108.800 0.088 0.000 2.362 34 G HA2 0.292 4.252 3.960 0.001 0.000 0.189 34 G HA3 0.292 4.252 3.960 0.001 0.000 0.189 34 G C -0.193 174.735 174.900 0.047 0.000 1.374 34 G CA -0.296 44.845 45.100 0.067 0.000 1.140 34 G HN 0.640 nan 8.290 nan 0.000 0.611 35 R N 0.663 121.186 120.500 0.039 0.000 2.432 35 R HA 0.296 4.637 4.340 0.001 0.000 0.260 35 R C 1.638 177.953 176.300 0.025 0.000 0.935 35 R CA 0.341 56.459 56.100 0.030 0.000 1.080 35 R CB 1.074 31.391 30.300 0.028 0.000 1.155 35 R HN 0.593 nan 8.270 nan 0.000 0.531 36 G N 0.620 109.436 108.800 0.027 0.000 2.509 36 G HA2 0.031 3.992 3.960 0.001 0.000 0.269 36 G HA3 0.031 3.992 3.960 0.001 0.000 0.269 36 G C -0.765 174.143 174.900 0.014 0.000 1.416 36 G CA -0.505 44.607 45.100 0.020 0.000 1.052 36 G HN 0.139 nan 8.290 nan 0.000 0.542 37 E N -1.091 119.115 120.200 0.010 0.000 2.384 37 E HA 0.232 4.582 4.350 0.001 0.000 0.266 37 E C -0.395 176.206 176.600 0.003 0.000 1.012 37 E CA -0.387 56.017 56.400 0.006 0.000 0.901 37 E CB 0.719 30.423 29.700 0.005 0.000 0.967 37 E HN 0.047 nan 8.360 nan 0.000 0.435 38 V N 6.714 126.627 119.914 -0.001 0.000 2.432 38 V HA 0.219 4.340 4.120 0.001 0.000 0.271 38 V C 0.444 176.532 176.094 -0.010 0.000 1.046 38 V CA -0.175 62.119 62.300 -0.009 0.000 0.945 38 V CB 0.683 32.498 31.823 -0.015 0.000 0.992 38 V HN 0.608 nan 8.190 nan 0.000 0.471 39 I N 4.154 124.715 120.570 -0.016 0.000 2.460 39 I HA 0.505 4.675 4.170 0.001 0.000 0.298 39 I C 0.083 176.176 176.117 -0.040 0.000 0.989 39 I CA 0.040 61.334 61.300 -0.011 0.000 1.173 39 I CB 2.002 39.999 38.000 -0.004 0.000 1.338 39 I HN 0.598 nan 8.210 nan 0.000 0.456 40 T N 4.810 119.343 114.554 -0.035 0.000 2.794 40 T HA 0.393 4.744 4.350 0.001 0.000 0.280 40 T C -0.154 174.456 174.700 -0.151 0.000 0.987 40 T CA -0.498 61.512 62.100 -0.149 0.000 0.993 40 T CB 1.216 69.964 68.868 -0.200 0.000 0.939 40 T HN 0.722 nan 8.240 nan 0.000 0.449 41 T N 0.828 115.241 114.554 -0.235 0.000 2.943 41 T HA 0.724 5.075 4.350 0.001 0.000 0.284 41 T C -1.037 173.442 174.700 -0.369 0.000 1.015 41 T CA -0.686 61.329 62.100 -0.142 0.000 1.042 41 T CB 0.790 69.618 68.868 -0.067 0.000 1.055 41 T HN 0.478 nan 8.240 nan 0.000 0.500 42 Y N -0.631 119.607 120.300 -0.104 0.000 2.499 42 Y HA 0.522 5.073 4.550 0.001 0.000 0.347 42 Y C 0.512 176.352 175.900 -0.100 0.000 0.987 42 Y CA -1.275 56.761 58.100 -0.106 0.000 1.044 42 Y CB 1.677 40.073 38.460 -0.106 0.000 1.245 42 Y HN 1.009 nan 8.280 nan 0.000 0.461 43 C N 6.267 125.602 119.300 0.058 0.000 2.555 43 C HA 0.232 4.693 4.460 0.001 0.000 0.385 43 C C -0.957 174.084 174.990 0.086 0.000 1.296 43 C CA -1.882 57.178 59.018 0.071 0.000 1.757 43 C CB -0.151 27.631 27.740 0.070 0.000 2.445 43 C HN 0.656 nan 8.230 nan 0.000 0.571 44 P HA -0.043 nan 4.420 nan 0.000 0.226 44 P C 1.139 178.425 177.300 -0.023 0.000 1.153 44 P CA 1.585 64.656 63.100 -0.049 0.000 0.777 44 P CB 0.048 31.674 31.700 -0.122 0.000 0.794 45 A N 1.033 123.910 122.820 0.095 0.000 2.067 45 A HA -0.108 4.213 4.320 0.001 0.000 0.217 45 A C 1.602 179.336 177.584 0.251 0.000 1.156 45 A CA 1.592 53.734 52.037 0.176 0.000 0.683 45 A CB -0.819 18.300 19.000 0.199 0.000 0.808 45 A HN 0.383 nan 8.150 nan 0.000 0.455 46 N N -3.427 115.397 118.700 0.207 0.000 2.036 46 N HA 0.036 4.777 4.740 0.001 0.000 0.228 46 N C -0.068 175.516 175.510 0.123 0.000 1.368 46 N CA 0.422 53.577 53.050 0.176 0.000 0.846 46 N CB -0.941 37.675 38.487 0.216 0.000 1.145 46 N HN 0.347 nan 8.380 nan 0.000 0.502 47 N N -0.111 118.651 118.700 0.103 0.000 2.741 47 N HA -0.201 4.540 4.740 0.001 0.000 0.251 47 N C -1.340 174.281 175.510 0.186 0.000 1.112 47 N CA 1.020 54.121 53.050 0.085 0.000 0.750 47 N CB -1.004 37.489 38.487 0.009 0.000 1.119 47 N HN 0.574 nan 8.380 nan 0.000 0.561 48 E N 0.826 121.124 120.200 0.165 0.000 2.266 48 E HA 0.262 4.612 4.350 0.001 0.000 0.277 48 E C -2.302 174.318 176.600 0.032 0.000 1.018 48 E CA -1.901 54.572 56.400 0.122 0.000 0.840 48 E CB 0.984 30.706 29.700 0.036 0.000 1.082 48 E HN 0.076 nan 8.360 nan 0.000 0.395 49 P HA 0.075 nan 4.420 nan 0.000 0.275 49 P C -0.076 176.984 177.300 -0.400 0.000 1.227 49 P CA 0.245 62.990 63.100 -0.590 0.000 0.781 49 P CB 1.091 32.475 31.700 -0.528 0.000 0.906 50 I N 1.333 121.647 120.570 -0.428 0.000 2.681 50 I HA 0.269 4.440 4.170 0.001 0.000 0.247 50 I C 1.180 177.106 176.117 -0.317 0.000 1.091 50 I CA 0.757 61.837 61.300 -0.366 0.000 1.442 50 I CB -0.026 37.779 38.000 -0.325 0.000 1.219 50 I HN 0.431 nan 8.210 nan 0.000 0.451 51 A N 0.103 122.748 122.820 -0.292 0.000 2.483 51 A HA 0.693 5.013 4.320 0.001 0.000 0.294 51 A C -1.231 176.230 177.584 -0.204 0.000 1.077 51 A CA -0.711 51.189 52.037 -0.229 0.000 0.633 51 A CB 1.023 19.898 19.000 -0.207 0.000 1.318 51 A HN 0.031 nan 8.150 nan 0.000 0.455 52 R N -0.535 119.872 120.500 -0.156 0.000 2.778 52 R HA 0.740 5.081 4.340 0.001 0.000 0.277 52 R C -1.536 174.708 176.300 -0.094 0.000 0.977 52 R CA -0.786 55.242 56.100 -0.120 0.000 0.950 52 R CB 2.239 32.480 30.300 -0.099 0.000 1.165 52 R HN 0.456 nan 8.270 nan 0.000 0.474 53 V N 2.477 122.349 119.914 -0.071 0.000 2.638 53 V HA 0.388 4.509 4.120 0.001 0.000 0.306 53 V C -0.238 175.841 176.094 -0.025 0.000 1.052 53 V CA -0.987 61.284 62.300 -0.048 0.000 0.885 53 V CB 2.050 33.843 31.823 -0.051 0.000 0.999 53 V HN 0.645 nan 8.190 nan 0.000 0.424 54 R N 3.729 124.225 120.500 -0.006 0.000 2.210 54 R HA 0.400 4.741 4.340 0.001 0.000 0.338 54 R C -0.220 176.094 176.300 0.024 0.000 1.062 54 R CA -0.338 55.769 56.100 0.010 0.000 0.902 54 R CB 0.994 31.307 30.300 0.022 0.000 1.050 54 R HN 0.692 nan 8.270 nan 0.000 0.461 55 Q N 0.920 120.729 119.800 0.015 0.000 2.316 55 Q HA 0.390 4.731 4.340 0.001 0.000 0.215 55 Q C -0.106 175.913 176.000 0.032 0.000 1.020 55 Q CA -0.617 55.196 55.803 0.017 0.000 0.970 55 Q CB 0.872 29.614 28.738 0.007 0.000 1.187 55 Q HN 0.632 nan 8.270 nan 0.000 0.546 56 A N 1.092 123.934 122.820 0.038 0.000 2.362 56 A HA 0.347 4.668 4.320 0.001 0.000 0.276 56 A C 0.104 177.720 177.584 0.053 0.000 1.153 56 A CA -0.404 51.667 52.037 0.058 0.000 0.813 56 A CB 0.110 19.163 19.000 0.089 0.000 1.081 56 A HN 0.662 nan 8.150 nan 0.000 0.507 57 S N 1.972 117.704 115.700 0.054 0.000 2.624 57 S HA 0.271 4.742 4.470 0.001 0.000 0.263 57 S C 1.199 175.846 174.600 0.077 0.000 1.287 57 S CA -0.095 58.134 58.200 0.049 0.000 0.990 57 S CB 0.730 63.955 63.200 0.040 0.000 0.950 57 S HN 0.698 nan 8.310 nan 0.000 0.561 58 V N 1.549 121.501 119.914 0.062 0.000 2.332 58 V HA -0.204 3.917 4.120 0.001 0.000 0.248 58 V C 2.997 179.166 176.094 0.126 0.000 1.055 58 V CA 2.430 64.785 62.300 0.091 0.000 1.038 58 V CB -1.846 30.006 31.823 0.048 0.000 0.651 58 V HN 1.008 nan 8.190 nan 0.000 0.450 59 A N -0.286 122.581 122.820 0.078 0.000 1.933 59 A HA -0.248 4.072 4.320 0.001 0.000 0.218 59 A C 1.997 179.614 177.584 0.055 0.000 1.175 59 A CA 1.979 54.052 52.037 0.060 0.000 0.628 59 A CB -0.582 18.440 19.000 0.037 0.000 0.814 59 A HN 0.551 nan 8.150 nan 0.000 0.444 60 D N -1.618 118.820 120.400 0.064 0.000 2.117 60 D HA -0.158 4.483 4.640 0.001 0.000 0.197 60 D C 1.679 178.007 176.300 0.046 0.000 0.987 60 D CA 1.588 55.615 54.000 0.045 0.000 0.829 60 D CB -0.490 40.343 40.800 0.056 0.000 0.961 60 D HN 0.612 nan 8.370 nan 0.000 0.460 61 Y N 1.746 122.045 120.300 -0.001 0.000 2.097 61 Y HA -0.252 4.299 4.550 0.001 0.000 0.282 61 Y C 2.355 178.255 175.900 0.001 0.000 1.152 61 Y CA 2.107 60.208 58.100 0.003 0.000 1.136 61 Y CB -0.186 38.281 38.460 0.010 0.000 0.975 61 Y HN -0.145 nan 8.280 nan 0.000 0.498 62 E N 0.473 120.685 120.200 0.019 0.000 2.051 62 E HA -0.213 4.138 4.350 0.001 0.000 0.192 62 E C 2.042 178.570 176.600 -0.121 0.000 0.991 62 E CA 2.027 58.393 56.400 -0.057 0.000 0.799 62 E CB -0.272 29.461 29.700 0.055 0.000 0.748 62 E HN 0.659 nan 8.360 nan 0.000 0.449 63 E N -0.860 119.294 120.200 -0.078 0.000 2.077 63 E HA -0.160 4.191 4.350 0.001 0.000 0.193 63 E C 2.017 178.541 176.600 -0.126 0.000 0.989 63 E CA 1.686 58.038 56.400 -0.080 0.000 0.800 63 E CB -0.088 29.580 29.700 -0.053 0.000 0.746 63 E HN 0.281 nan 8.360 nan 0.000 0.452 64 T N 0.461 114.914 114.554 -0.169 0.000 2.737 64 T HA -0.120 4.231 4.350 0.001 0.000 0.265 64 T C 2.063 176.634 174.700 -0.214 0.000 1.038 64 T CA 1.049 63.034 62.100 -0.192 0.000 1.144 64 T CB -0.191 68.570 68.868 -0.178 0.000 0.866 64 T HN -0.023 nan 8.240 nan 0.000 0.434 65 V N 1.564 121.282 119.914 -0.326 0.000 2.332 65 V HA -0.213 3.907 4.120 0.001 0.000 0.248 65 V C 2.434 178.445 176.094 -0.138 0.000 1.055 65 V CA 1.677 63.816 62.300 -0.268 0.000 1.038 65 V CB -0.512 31.085 31.823 -0.378 0.000 0.651 65 V HN 0.474 nan 8.190 nan 0.000 0.450 66 K N -0.101 120.226 120.400 -0.121 0.000 2.057 66 K HA -0.171 4.149 4.320 0.001 0.000 0.207 66 K C 2.260 178.834 176.600 -0.045 0.000 1.049 66 K CA 1.399 57.649 56.287 -0.062 0.000 0.931 66 K CB -0.211 32.258 32.500 -0.050 0.000 0.714 66 K HN 0.412 nan 8.250 nan 0.000 0.440 67 K N 0.417 120.775 120.400 -0.071 0.000 2.057 67 K HA -0.070 4.251 4.320 0.001 0.000 0.206 67 K C 2.236 178.812 176.600 -0.040 0.000 1.050 67 K CA 1.108 57.357 56.287 -0.064 0.000 0.935 67 K CB -0.109 32.325 32.500 -0.111 0.000 0.715 67 K HN 0.116 nan 8.250 nan 0.000 0.439 68 A N 1.743 124.534 122.820 -0.048 0.000 1.902 68 A HA -0.185 4.136 4.320 0.001 0.000 0.217 68 A C 2.047 179.679 177.584 0.081 0.000 1.181 68 A CA 1.355 53.391 52.037 -0.001 0.000 0.623 68 A CB -0.393 18.599 19.000 -0.014 0.000 0.818 68 A HN 0.211 nan 8.150 nan 0.000 0.443 69 R N -0.795 119.741 120.500 0.060 0.000 2.115 69 R HA -0.127 4.213 4.340 0.001 0.000 0.230 69 R C 2.261 178.676 176.300 0.191 0.000 1.111 69 R CA 1.407 57.577 56.100 0.117 0.000 0.976 69 R CB -0.250 30.071 30.300 0.035 0.000 0.870 69 R HN 0.805 nan 8.270 nan 0.000 0.445 70 E N 0.839 121.107 120.200 0.112 0.000 2.072 70 E HA -0.164 4.187 4.350 0.001 0.000 0.191 70 E C 1.937 178.611 176.600 0.123 0.000 0.985 70 E CA 1.135 57.598 56.400 0.105 0.000 0.801 70 E CB -0.027 29.701 29.700 0.047 0.000 0.750 70 E HN 0.338 nan 8.360 nan 0.000 0.452 71 A N 0.504 123.386 122.820 0.104 0.000 1.933 71 A HA -0.199 4.121 4.320 0.001 0.000 0.218 71 A C 1.875 179.569 177.584 0.183 0.000 1.175 71 A CA 1.383 53.479 52.037 0.098 0.000 0.628 71 A CB -1.207 17.813 19.000 0.033 0.000 0.814 71 A HN 0.703 nan 8.150 nan 0.000 0.444 72 W N 1.083 122.439 121.300 0.094 0.000 2.342 72 W HA -0.185 4.475 4.660 0.001 0.000 0.297 72 W C 1.952 178.566 176.519 0.157 0.000 1.213 72 W CA 2.079 59.523 57.345 0.164 0.000 1.251 72 W CB -0.018 29.520 29.460 0.130 0.000 1.136 72 W HN 0.275 nan 8.180 nan 0.000 0.526 73 K N -0.233 120.238 120.400 0.119 0.000 2.103 73 K HA -0.193 4.128 4.320 0.001 0.000 0.207 73 K C 1.880 178.375 176.600 -0.176 0.000 1.048 73 K CA 1.890 58.123 56.287 -0.089 0.000 0.930 73 K CB -0.478 32.069 32.500 0.078 0.000 0.716 73 K HN 0.290 nan 8.250 nan 0.000 0.444 74 I N -0.143 120.396 120.570 -0.053 0.000 2.193 74 I HA -0.250 3.920 4.170 0.001 0.000 0.240 74 I C 2.381 178.486 176.117 -0.019 0.000 1.084 74 I CA 1.014 62.301 61.300 -0.021 0.000 1.365 74 I CB -0.278 37.753 38.000 0.051 0.000 1.064 74 I HN 0.386 nan 8.210 nan 0.000 0.410 75 W N 1.887 123.061 121.300 -0.211 0.000 2.358 75 W HA -0.249 4.411 4.660 0.001 0.000 0.303 75 W C 2.423 178.764 176.519 -0.296 0.000 1.208 75 W CA 1.420 58.650 57.345 -0.192 0.000 1.274 75 W CB 0.062 29.461 29.460 -0.102 0.000 1.138 75 W HN 0.145 nan 8.180 nan 0.000 0.515 76 A N 0.066 122.550 122.820 -0.559 0.000 2.121 76 A HA -0.182 4.139 4.320 0.001 0.000 0.218 76 A C 1.347 178.652 177.584 -0.466 0.000 1.154 76 A CA 1.818 53.443 52.037 -0.687 0.000 0.679 76 A CB -0.718 17.495 19.000 -1.312 0.000 0.795 76 A HN 0.202 nan 8.150 nan 0.000 0.458 77 D N -0.492 119.682 120.400 -0.377 0.000 2.348 77 D HA 0.139 4.779 4.640 0.001 0.000 0.211 77 D C 0.329 176.494 176.300 -0.224 0.000 0.998 77 D CA 0.238 54.089 54.000 -0.248 0.000 0.873 77 D CB 0.013 40.706 40.800 -0.179 0.000 0.925 77 D HN 0.440 nan 8.370 nan 0.000 0.524 78 I N 2.269 122.660 120.570 -0.298 0.000 2.416 78 I HA 0.129 4.300 4.170 0.001 0.000 0.288 78 I C -2.052 173.869 176.117 -0.326 0.000 1.051 78 I CA -1.964 59.159 61.300 -0.294 0.000 1.375 78 I CB 0.909 38.692 38.000 -0.360 0.000 1.407 78 I HN -0.336 nan 8.210 nan 0.000 0.516 79 P HA -0.106 nan 4.420 nan 0.000 0.263 79 P C 0.438 177.591 177.300 -0.245 0.000 1.175 79 P CA 0.222 63.203 63.100 -0.199 0.000 0.761 79 P CB 0.727 32.342 31.700 -0.141 0.000 0.794 80 A N 6.431 129.116 122.820 -0.226 0.000 1.917 80 A HA -0.156 4.164 4.320 0.001 0.000 0.219 80 A C -0.414 177.051 177.584 -0.198 0.000 1.182 80 A CA 1.914 53.809 52.037 -0.237 0.000 0.633 80 A CB -2.395 16.483 19.000 -0.204 0.000 0.819 80 A HN 0.484 nan 8.150 nan 0.000 0.448 81 P HA -0.138 nan 4.420 nan 0.000 0.218 81 P C 1.156 178.393 177.300 -0.105 0.000 1.148 81 P CA 1.451 64.477 63.100 -0.124 0.000 0.822 81 P CB -0.035 31.603 31.700 -0.104 0.000 0.784 82 K N -0.617 119.709 120.400 -0.124 0.000 2.167 82 K HA 0.003 4.324 4.320 0.001 0.000 0.203 82 K C 2.187 178.726 176.600 -0.101 0.000 1.052 82 K CA 0.823 57.051 56.287 -0.099 0.000 0.956 82 K CB -0.142 32.295 32.500 -0.106 0.000 0.735 82 K HN 0.089 nan 8.250 nan 0.000 0.451 83 R N 0.135 120.499 120.500 -0.227 0.000 2.096 83 R HA -0.082 4.259 4.340 0.001 0.000 0.235 83 R C 2.436 178.749 176.300 0.021 0.000 1.127 83 R CA 1.312 57.273 56.100 -0.230 0.000 0.968 83 R CB -0.467 29.476 30.300 -0.595 0.000 0.861 83 R HN 0.269 nan 8.270 nan 0.000 0.440 84 G N 1.312 110.085 108.800 -0.045 0.000 2.422 84 G HA2 -0.332 3.629 3.960 0.001 0.000 0.218 84 G HA3 -0.332 3.629 3.960 0.001 0.000 0.218 84 G C 1.331 176.240 174.900 0.015 0.000 1.146 84 G CA 0.881 45.971 45.100 -0.016 0.000 0.769 84 G HN 0.295 nan 8.290 nan 0.000 0.547 85 E N 0.653 120.859 120.200 0.009 0.000 2.110 85 E HA -0.134 4.217 4.350 0.001 0.000 0.193 85 E C 2.370 179.007 176.600 0.060 0.000 0.988 85 E CA 0.741 57.156 56.400 0.024 0.000 0.804 85 E CB -0.273 29.435 29.700 0.013 0.000 0.745 85 E HN 0.316 nan 8.360 nan 0.000 0.458 86 I N 0.294 120.932 120.570 0.114 0.000 2.179 86 I HA -0.197 3.973 4.170 0.001 0.000 0.242 86 I C 2.366 178.551 176.117 0.113 0.000 1.088 86 I CA 0.779 62.169 61.300 0.149 0.000 1.357 86 I CB -1.301 36.874 38.000 0.291 0.000 1.051 86 I HN 0.083 nan 8.210 nan 0.000 0.409 87 V N 0.945 120.934 119.914 0.125 0.000 2.407 87 V HA -0.238 3.882 4.120 0.001 0.000 0.248 87 V C 2.764 178.887 176.094 0.049 0.000 1.055 87 V CA 1.660 64.016 62.300 0.093 0.000 1.049 87 V CB -0.807 31.078 31.823 0.104 0.000 0.662 87 V HN 0.392 nan 8.190 nan 0.000 0.455 88 R N -0.047 120.477 120.500 0.039 0.000 2.083 88 R HA -0.234 4.107 4.340 0.001 0.000 0.237 88 R C 2.391 178.698 176.300 0.010 0.000 1.137 88 R CA 2.108 58.220 56.100 0.020 0.000 0.951 88 R CB -0.230 30.078 30.300 0.015 0.000 0.851 88 R HN 0.592 nan 8.270 nan 0.000 0.434 89 Q N -0.006 119.805 119.800 0.018 0.000 2.124 89 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 89 Q C 2.230 178.225 176.000 -0.009 0.000 0.977 89 Q CA 1.513 57.322 55.803 0.010 0.000 0.850 89 Q CB -0.063 28.690 28.738 0.024 0.000 0.901 89 Q HN 0.457 nan 8.270 nan 0.000 0.429 90 I N 0.407 120.971 120.570 -0.011 0.000 2.163 90 I HA -0.241 3.930 4.170 0.001 0.000 0.243 90 I C 2.384 178.424 176.117 -0.127 0.000 1.085 90 I CA 1.252 62.516 61.300 -0.060 0.000 1.347 90 I CB -0.774 37.200 38.000 -0.042 0.000 1.044 90 I HN 0.290 nan 8.210 nan 0.000 0.408 91 G N 0.544 109.285 108.800 -0.099 0.000 2.476 91 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 91 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 91 G C 1.274 176.129 174.900 -0.075 0.000 1.164 91 G CA 1.281 46.321 45.100 -0.101 0.000 0.768 91 G HN 0.298 nan 8.290 nan 0.000 0.560 92 D N 0.698 121.073 120.400 -0.043 0.000 2.144 92 D HA 0.025 4.665 4.640 0.001 0.000 0.200 92 D C 2.796 179.075 176.300 -0.034 0.000 0.978 92 D CA 1.103 55.087 54.000 -0.028 0.000 0.833 92 D CB -0.373 40.420 40.800 -0.013 0.000 0.961 92 D HN 0.316 nan 8.370 nan 0.000 0.470 93 A N 0.453 123.247 122.820 -0.043 0.000 1.898 93 A HA -0.087 4.234 4.320 0.001 0.000 0.216 93 A C 2.358 179.913 177.584 -0.050 0.000 1.181 93 A CA 0.738 52.753 52.037 -0.037 0.000 0.620 93 A CB -0.693 18.289 19.000 -0.030 0.000 0.819 93 A HN 0.195 nan 8.150 nan 0.000 0.442 94 L N -1.037 120.128 121.223 -0.097 0.000 2.042 94 L HA -0.206 4.135 4.340 0.001 0.000 0.210 94 L C 2.829 179.668 176.870 -0.052 0.000 1.076 94 L CA 1.529 56.306 54.840 -0.104 0.000 0.749 94 L CB -0.488 41.436 42.059 -0.225 0.000 0.893 94 L HN 0.345 nan 8.230 nan 0.000 0.432 95 R N -0.295 120.177 120.500 -0.046 0.000 2.117 95 R HA -0.175 4.165 4.340 0.001 0.000 0.243 95 R C 2.337 178.630 176.300 -0.012 0.000 1.143 95 R CA 1.842 57.929 56.100 -0.021 0.000 0.968 95 R CB -0.266 30.024 30.300 -0.016 0.000 0.863 95 R HN 0.299 nan 8.270 nan 0.000 0.444 96 E N 0.241 120.433 120.200 -0.012 0.000 2.208 96 E HA -0.052 4.298 4.350 0.001 0.000 0.193 96 E C 1.154 177.754 176.600 0.001 0.000 0.988 96 E CA 0.855 57.253 56.400 -0.004 0.000 0.828 96 E CB 0.080 29.778 29.700 -0.004 0.000 0.763 96 E HN 0.276 nan 8.360 nan 0.000 0.478 97 K N -0.417 119.984 120.400 0.002 0.000 2.455 97 K HA 0.360 4.680 4.320 0.001 0.000 0.206 97 K C 1.518 178.128 176.600 0.016 0.000 1.027 97 K CA -0.142 56.154 56.287 0.016 0.000 1.113 97 K CB 0.203 32.718 32.500 0.025 0.000 0.850 97 K HN 0.252 nan 8.250 nan 0.000 0.503 98 I N 1.175 121.748 120.570 0.006 0.000 2.208 98 I HA -0.333 3.838 4.170 0.001 0.000 0.245 98 I C 1.949 178.066 176.117 -0.001 0.000 1.097 98 I CA 1.550 62.855 61.300 0.008 0.000 1.363 98 I CB 0.397 38.401 38.000 0.006 0.000 1.051 98 I HN 0.169 nan 8.210 nan 0.000 0.413 99 Q N 0.039 119.826 119.800 -0.021 0.000 2.046 99 Q HA -0.145 4.195 4.340 0.001 0.000 0.200 99 Q C 2.361 178.300 176.000 -0.102 0.000 0.975 99 Q CA 2.178 57.945 55.803 -0.061 0.000 0.836 99 Q CB -0.745 27.949 28.738 -0.072 0.000 0.896 99 Q HN 0.662 nan 8.270 nan 0.000 0.428 100 V N -1.238 118.642 119.914 -0.057 0.000 2.427 100 V HA -0.155 3.965 4.120 0.001 0.000 0.248 100 V C 2.253 178.387 176.094 0.066 0.000 1.051 100 V CA 1.290 63.577 62.300 -0.020 0.000 1.048 100 V CB -0.923 30.982 31.823 0.136 0.000 0.666 100 V HN 0.141 nan 8.190 nan 0.000 0.456 101 L N 2.528 123.793 121.223 0.070 0.000 2.056 101 L HA 0.200 4.541 4.340 0.001 0.000 0.207 101 L C 2.456 179.376 176.870 0.082 0.000 1.078 101 L CA 2.292 57.192 54.840 0.100 0.000 0.749 101 L CB -1.378 40.736 42.059 0.090 0.000 0.901 101 L HN 0.344 nan 8.230 nan 0.000 0.433 102 G N -1.778 107.044 108.800 0.037 0.000 2.422 102 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 102 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 102 G C 1.583 176.489 174.900 0.011 0.000 1.146 102 G CA 0.849 45.968 45.100 0.032 0.000 0.769 102 G HN 0.467 nan 8.290 nan 0.000 0.547 103 S N 0.209 115.853 115.700 -0.093 0.000 2.382 103 S HA -0.102 4.369 4.470 0.001 0.000 0.228 103 S C 2.144 176.770 174.600 0.043 0.000 1.027 103 S CA 1.058 59.119 58.200 -0.232 0.000 0.991 103 S CB -0.242 62.438 63.200 -0.866 0.000 0.823 103 S HN 0.264 nan 8.310 nan 0.000 0.469 104 L N 1.932 123.288 121.223 0.222 0.000 2.046 104 L HA -0.023 4.318 4.340 0.001 0.000 0.208 104 L C 2.130 179.118 176.870 0.197 0.000 1.077 104 L CA 1.517 56.554 54.840 0.328 0.000 0.747 104 L CB -0.712 41.509 42.059 0.271 0.000 0.896 104 L HN 0.124 nan 8.230 nan 0.000 0.432 105 V N -1.180 118.821 119.914 0.146 0.000 2.343 105 V HA -0.275 3.845 4.120 0.001 0.000 0.247 105 V C 2.750 178.926 176.094 0.137 0.000 1.051 105 V CA 1.828 64.200 62.300 0.119 0.000 1.036 105 V CB -0.837 31.037 31.823 0.085 0.000 0.654 105 V HN 0.624 nan 8.190 nan 0.000 0.451 106 S N -0.417 115.377 115.700 0.158 0.000 2.368 106 S HA -0.176 4.295 4.470 0.001 0.000 0.225 106 S C 1.899 176.693 174.600 0.325 0.000 1.030 106 S CA 1.875 60.210 58.200 0.225 0.000 0.999 106 S CB -0.272 63.087 63.200 0.264 0.000 0.844 106 S HN 0.421 nan 8.310 nan 0.000 0.459 107 L N 1.558 122.954 121.223 0.288 0.000 2.005 107 L HA 0.110 4.451 4.340 0.001 0.000 0.207 107 L C 2.369 179.343 176.870 0.174 0.000 1.072 107 L CA 2.336 57.316 54.840 0.234 0.000 0.744 107 L CB -0.757 41.390 42.059 0.146 0.000 0.895 107 L HN 0.400 nan 8.230 nan 0.000 0.433 108 E N -1.522 118.761 120.200 0.138 0.000 2.122 108 E HA -0.155 4.195 4.350 0.001 0.000 0.190 108 E C 2.094 178.818 176.600 0.208 0.000 0.977 108 E CA 0.631 57.100 56.400 0.116 0.000 0.820 108 E CB 0.026 29.775 29.700 0.081 0.000 0.770 108 E HN 0.436 nan 8.360 nan 0.000 0.462 109 M N -0.900 118.833 119.600 0.222 0.000 2.412 109 M HA 0.087 4.568 4.480 0.001 0.000 0.263 109 M C 1.297 177.763 176.300 0.277 0.000 1.122 109 M CA 2.028 57.497 55.300 0.283 0.000 1.179 109 M CB 0.573 33.242 32.600 0.116 0.000 1.335 109 M HN 0.281 nan 8.290 nan 0.000 0.465 110 G N 1.786 110.685 108.800 0.166 0.000 2.184 110 G HA2 -0.207 3.753 3.960 0.001 0.000 0.206 110 G HA3 -0.207 3.753 3.960 0.001 0.000 0.206 110 G C 0.109 175.010 174.900 0.002 0.000 0.995 110 G CA 0.409 45.564 45.100 0.091 0.000 0.651 110 G HN 0.605 nan 8.290 nan 0.000 0.511 111 K N 1.316 121.717 120.400 0.002 0.000 2.219 111 K HA 0.612 4.933 4.320 0.001 0.000 0.258 111 K C 1.274 177.878 176.600 0.007 0.000 1.008 111 K CA -0.323 55.937 56.287 -0.044 0.000 0.928 111 K CB 1.175 33.623 32.500 -0.086 0.000 0.983 111 K HN 0.787 nan 8.250 nan 0.000 0.484 112 I N -0.111 120.455 120.570 -0.007 0.000 2.938 112 I HA -0.073 4.097 4.170 0.001 0.000 0.285 112 I C 1.189 177.340 176.117 0.057 0.000 1.182 112 I CA -0.712 60.603 61.300 0.026 0.000 1.388 112 I CB 0.383 38.396 38.000 0.021 0.000 1.390 112 I HN 0.712 nan 8.210 nan 0.000 0.600 113 L N 4.912 126.180 121.223 0.076 0.000 2.043 113 L HA -0.157 4.184 4.340 0.001 0.000 0.212 113 L C 2.194 179.096 176.870 0.054 0.000 1.075 113 L CA 1.953 56.837 54.840 0.075 0.000 0.752 113 L CB -0.519 41.586 42.059 0.076 0.000 0.891 113 L HN 0.718 nan 8.230 nan 0.000 0.432 114 V N -0.579 119.368 119.914 0.054 0.000 2.490 114 V HA -0.271 3.850 4.120 0.001 0.000 0.250 114 V C 2.338 178.475 176.094 0.071 0.000 1.061 114 V CA 2.150 64.484 62.300 0.056 0.000 1.064 114 V CB -0.318 31.540 31.823 0.057 0.000 0.670 114 V HN 0.638 nan 8.190 nan 0.000 0.461 115 E N -0.387 119.858 120.200 0.076 0.000 2.170 115 E HA -0.006 4.344 4.350 0.001 0.000 0.191 115 E C 2.145 178.785 176.600 0.067 0.000 0.981 115 E CA 0.810 57.261 56.400 0.085 0.000 0.830 115 E CB -0.362 29.380 29.700 0.069 0.000 0.775 115 E HN 0.687 nan 8.360 nan 0.000 0.470 116 G N 1.470 110.302 108.800 0.053 0.000 2.433 116 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 116 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 116 G C 1.761 176.698 174.900 0.061 0.000 1.186 116 G CA 0.773 45.905 45.100 0.054 0.000 0.779 116 G HN 0.101 nan 8.290 nan 0.000 0.543 117 V N 1.717 121.661 119.914 0.051 0.000 2.332 117 V HA -0.126 3.995 4.120 0.001 0.000 0.248 117 V C 3.158 179.290 176.094 0.064 0.000 1.055 117 V CA 2.114 64.442 62.300 0.046 0.000 1.038 117 V CB -1.135 30.705 31.823 0.029 0.000 0.651 117 V HN 0.461 nan 8.190 nan 0.000 0.450 118 G N -1.217 107.629 108.800 0.077 0.000 2.442 118 G HA2 -0.276 3.684 3.960 0.001 0.000 0.219 118 G HA3 -0.276 3.684 3.960 0.001 0.000 0.219 118 G C 1.525 176.494 174.900 0.115 0.000 1.141 118 G CA 0.909 46.067 45.100 0.096 0.000 0.763 118 G HN 0.556 nan 8.290 nan 0.000 0.554 119 E N -0.233 120.040 120.200 0.121 0.000 2.051 119 E HA -0.106 4.245 4.350 0.001 0.000 0.192 119 E C 2.733 179.402 176.600 0.114 0.000 0.991 119 E CA 1.087 57.564 56.400 0.129 0.000 0.799 119 E CB -0.030 29.744 29.700 0.123 0.000 0.748 119 E HN 0.305 nan 8.360 nan 0.000 0.449 120 V N 0.843 120.822 119.914 0.109 0.000 2.427 120 V HA -0.246 3.875 4.120 0.001 0.000 0.248 120 V C 2.397 178.554 176.094 0.106 0.000 1.051 120 V CA 1.861 64.231 62.300 0.116 0.000 1.048 120 V CB -0.521 31.351 31.823 0.081 0.000 0.666 120 V HN 0.238 nan 8.190 nan 0.000 0.456 121 Q N 0.653 120.507 119.800 0.089 0.000 2.124 121 Q HA -0.234 4.107 4.340 0.001 0.000 0.202 121 Q C 2.077 178.143 176.000 0.110 0.000 0.977 121 Q CA 2.126 57.978 55.803 0.081 0.000 0.850 121 Q CB -0.326 28.453 28.738 0.068 0.000 0.901 121 Q HN 0.696 nan 8.270 nan 0.000 0.429 122 E N -1.099 119.181 120.200 0.134 0.000 2.070 122 E HA -0.233 4.117 4.350 0.001 0.000 0.197 122 E C 1.658 178.394 176.600 0.226 0.000 1.004 122 E CA 1.486 57.991 56.400 0.176 0.000 0.805 122 E CB -0.559 29.250 29.700 0.181 0.000 0.744 122 E HN 0.515 nan 8.360 nan 0.000 0.451 123 Y N 0.505 120.817 120.300 0.019 0.000 2.145 123 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 123 Y C 2.207 178.128 175.900 0.035 0.000 1.145 123 Y CA 1.264 59.364 58.100 -0.001 0.000 1.148 123 Y CB -0.769 37.668 38.460 -0.040 0.000 0.981 123 Y HN -0.021 nan 8.280 nan 0.000 0.507 124 V N 0.725 120.711 119.914 0.120 0.000 2.282 124 V HA -0.340 3.781 4.120 0.001 0.000 0.249 124 V C 2.216 178.364 176.094 0.090 0.000 1.057 124 V CA 2.348 64.668 62.300 0.033 0.000 1.032 124 V CB -0.688 31.142 31.823 0.012 0.000 0.645 124 V HN 0.298 nan 8.190 nan 0.000 0.447 125 D N -0.579 119.891 120.400 0.116 0.000 2.117 125 D HA -0.123 4.518 4.640 0.001 0.000 0.198 125 D C 1.909 178.295 176.300 0.143 0.000 0.982 125 D CA 1.134 55.200 54.000 0.109 0.000 0.828 125 D CB -0.253 40.599 40.800 0.087 0.000 0.967 125 D HN 0.435 nan 8.370 nan 0.000 0.464 126 I N 0.424 121.108 120.570 0.189 0.000 2.394 126 I HA -0.195 3.975 4.170 0.001 0.000 0.251 126 I C 1.978 178.235 176.117 0.234 0.000 1.136 126 I CA 0.784 62.212 61.300 0.214 0.000 1.425 126 I CB -0.104 38.054 38.000 0.264 0.000 1.079 126 I HN -0.014 nan 8.210 nan 0.000 0.425 127 C N 0.603 120.030 119.300 0.211 0.000 2.413 127 C HA -0.166 4.294 4.460 0.001 0.000 0.276 127 C C 2.400 177.457 174.990 0.112 0.000 1.236 127 C CA 1.127 60.233 59.018 0.147 0.000 1.735 127 C CB -1.195 26.593 27.740 0.080 0.000 2.031 127 C HN 0.518 nan 8.230 nan 0.000 0.474 128 D N -0.791 119.675 120.400 0.109 0.000 2.144 128 D HA -0.138 4.503 4.640 0.001 0.000 0.199 128 D C 1.714 178.084 176.300 0.116 0.000 0.984 128 D CA 1.258 55.310 54.000 0.088 0.000 0.834 128 D CB -0.532 40.316 40.800 0.079 0.000 0.955 128 D HN 0.647 nan 8.370 nan 0.000 0.465 129 Y N 1.661 121.971 120.300 0.017 0.000 2.145 129 Y HA -0.160 4.390 4.550 0.001 0.000 0.286 129 Y C 2.283 178.175 175.900 -0.013 0.000 1.145 129 Y CA 1.690 59.792 58.100 0.004 0.000 1.148 129 Y CB -0.343 38.123 38.460 0.011 0.000 0.981 129 Y HN -0.054 nan 8.280 nan 0.000 0.507 130 A N -0.810 122.060 122.820 0.084 0.000 2.019 130 A HA -0.116 4.205 4.320 0.001 0.000 0.219 130 A C 2.301 179.826 177.584 -0.097 0.000 1.164 130 A CA 1.675 53.692 52.037 -0.034 0.000 0.644 130 A CB -1.242 17.789 19.000 0.052 0.000 0.805 130 A HN 0.348 nan 8.150 nan 0.000 0.449 131 V N -0.075 119.807 119.914 -0.054 0.000 2.287 131 V HA -0.219 3.902 4.120 0.001 0.000 0.248 131 V C 2.819 178.843 176.094 -0.115 0.000 1.053 131 V CA 2.086 64.348 62.300 -0.063 0.000 1.027 131 V CB -1.458 30.348 31.823 -0.027 0.000 0.646 131 V HN 0.593 nan 8.190 nan 0.000 0.447 132 G N -0.447 108.265 108.800 -0.147 0.000 2.418 132 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 132 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 132 G C 1.552 176.299 174.900 -0.253 0.000 1.158 132 G CA 0.926 45.916 45.100 -0.183 0.000 0.771 132 G HN 0.416 nan 8.290 nan 0.000 0.545 133 L N 2.024 123.035 121.223 -0.352 0.000 2.191 133 L HA -0.042 4.298 4.340 0.001 0.000 0.212 133 L C 3.041 179.697 176.870 -0.356 0.000 1.103 133 L CA 2.139 56.735 54.840 -0.406 0.000 0.769 133 L CB -0.476 41.294 42.059 -0.480 0.000 0.908 133 L HN 0.360 nan 8.230 nan 0.000 0.438 134 S N -1.272 114.269 115.700 -0.265 0.000 2.474 134 S HA -0.137 4.334 4.470 0.001 0.000 0.235 134 S C 1.876 176.347 174.600 -0.215 0.000 0.997 134 S CA 0.605 58.666 58.200 -0.231 0.000 0.949 134 S CB -0.449 62.654 63.200 -0.162 0.000 0.766 134 S HN 0.557 nan 8.310 nan 0.000 0.517 135 R N -0.428 119.952 120.500 -0.200 0.000 2.393 135 R HA 0.413 4.753 4.340 0.001 0.000 0.244 135 R C 1.175 177.368 176.300 -0.179 0.000 0.920 135 R CA 0.218 56.218 56.100 -0.166 0.000 1.076 135 R CB 0.002 30.226 30.300 -0.127 0.000 1.119 135 R HN 0.506 nan 8.270 nan 0.000 0.524 136 M N 0.189 119.641 119.600 -0.246 0.000 2.447 136 M HA 0.202 4.683 4.480 0.001 0.000 0.255 136 M C 0.596 176.694 176.300 -0.338 0.000 1.289 136 M CA -0.039 55.114 55.300 -0.246 0.000 1.128 136 M CB 0.479 32.933 32.600 -0.244 0.000 1.540 136 M HN -0.005 nan 8.290 nan 0.000 0.557 137 I N 0.876 121.111 120.570 -0.558 0.000 2.775 137 I HA 0.492 4.662 4.170 0.001 0.000 0.290 137 I C 0.346 176.168 176.117 -0.491 0.000 1.203 137 I CA 0.227 60.962 61.300 -0.941 0.000 1.433 137 I CB -0.275 36.967 38.000 -1.264 0.000 1.354 137 I HN 0.267 nan 8.210 nan 0.000 0.579 138 G N 3.196 111.786 108.800 -0.350 0.000 2.343 138 G HA2 0.498 4.458 3.960 0.001 0.000 0.289 138 G HA3 0.498 4.458 3.960 0.001 0.000 0.289 138 G C -0.971 174.134 174.900 0.342 0.000 1.295 138 G CA -0.396 44.772 45.100 0.113 0.000 0.869 138 G HN 1.071 nan 8.290 nan 0.000 0.522 139 G N -0.654 108.427 108.800 0.469 0.000 2.818 139 G HA2 0.880 4.841 3.960 0.001 0.000 0.286 139 G HA3 0.880 4.841 3.960 0.001 0.000 0.286 139 G C -2.813 172.237 174.900 0.251 0.000 1.364 139 G CA -0.978 44.404 45.100 0.469 0.000 0.938 139 G HN 0.656 nan 8.290 nan 0.000 0.490 140 P HA 0.372 nan 4.420 nan 0.000 0.275 140 P C -0.606 176.756 177.300 0.104 0.000 1.228 140 P CA -0.215 62.963 63.100 0.130 0.000 0.786 140 P CB 1.533 33.301 31.700 0.114 0.000 0.927 141 I N 2.565 123.182 120.570 0.078 0.000 2.325 141 I HA 0.249 4.419 4.170 0.001 0.000 0.291 141 I C 0.487 176.639 176.117 0.058 0.000 1.019 141 I CA -0.504 60.834 61.300 0.063 0.000 1.302 141 I CB 0.436 38.467 38.000 0.051 0.000 1.401 141 I HN 0.106 nan 8.210 nan 0.000 0.485 142 L N 8.028 129.285 121.223 0.057 0.000 2.330 142 L HA 0.563 4.904 4.340 0.001 0.000 0.271 142 L C -2.248 174.651 176.870 0.049 0.000 1.013 142 L CA -1.904 52.965 54.840 0.050 0.000 0.816 142 L CB 1.689 43.775 42.059 0.045 0.000 1.287 142 L HN 0.375 nan 8.230 nan 0.000 0.435 143 P HA 0.087 nan 4.420 nan 0.000 0.286 143 P C -0.536 176.784 177.300 0.034 0.000 1.321 143 P CA -0.228 62.897 63.100 0.042 0.000 0.790 143 P CB 1.412 33.132 31.700 0.033 0.000 0.897 144 S N 2.159 117.885 115.700 0.044 0.000 2.562 144 S HA 0.010 4.481 4.470 0.001 0.000 0.281 144 S C 1.474 176.069 174.600 -0.008 0.000 1.333 144 S CA -0.392 57.819 58.200 0.018 0.000 1.052 144 S CB 0.294 63.514 63.200 0.034 0.000 0.884 144 S HN 0.552 nan 8.310 nan 0.000 0.506 145 E N 3.614 123.792 120.200 -0.037 0.000 2.418 145 E HA -0.068 4.283 4.350 0.001 0.000 0.197 145 E C 0.020 176.570 176.600 -0.082 0.000 1.026 145 E CA 0.572 56.943 56.400 -0.049 0.000 0.862 145 E CB 0.056 29.725 29.700 -0.052 0.000 0.799 145 E HN 0.503 nan 8.360 nan 0.000 0.518 146 R N 1.566 121.983 120.500 -0.140 0.000 2.294 146 R HA 0.248 4.588 4.340 0.001 0.000 0.319 146 R C -0.401 175.836 176.300 -0.104 0.000 0.984 146 R CA -0.441 55.511 56.100 -0.246 0.000 0.861 146 R CB 1.690 31.584 30.300 -0.677 0.000 1.104 146 R HN -0.041 nan 8.270 nan 0.000 0.451 147 S N 1.601 117.275 115.700 -0.043 0.000 2.558 147 S HA 0.181 4.652 4.470 0.001 0.000 0.288 147 S C 1.298 175.932 174.600 0.058 0.000 1.318 147 S CA 1.023 59.233 58.200 0.016 0.000 1.056 147 S CB 0.374 63.578 63.200 0.006 0.000 0.853 147 S HN 0.902 nan 8.310 nan 0.000 0.505 148 G N 3.245 112.003 108.800 -0.069 0.000 2.179 148 G HA2 -0.203 3.758 3.960 0.001 0.000 0.257 148 G HA3 -0.203 3.758 3.960 0.001 0.000 0.257 148 G C -0.250 174.058 174.900 -0.987 0.000 1.010 148 G CA 0.784 45.556 45.100 -0.547 0.000 0.736 148 G HN 0.945 nan 8.290 nan 0.000 0.513 149 H N -0.399 118.374 119.070 -0.496 0.000 2.637 149 H HA 0.758 5.314 4.556 0.001 0.000 0.363 149 H C 0.371 175.759 175.328 0.101 0.000 1.131 149 H CA 0.168 56.070 56.048 -0.243 0.000 1.183 149 H CB 1.822 31.513 29.762 -0.119 0.000 1.637 149 H HN 0.561 nan 8.280 nan 0.000 0.531 150 A N 2.048 125.070 122.820 0.338 0.000 2.295 150 A HA 0.641 4.962 4.320 0.001 0.000 0.318 150 A C -1.156 176.523 177.584 0.159 0.000 1.134 150 A CA -0.534 51.655 52.037 0.253 0.000 0.827 150 A CB 0.608 19.740 19.000 0.219 0.000 1.136 150 A HN 0.507 nan 8.150 nan 0.000 0.493 151 L N 2.248 123.537 121.223 0.111 0.000 2.404 151 L HA 0.730 5.070 4.340 0.001 0.000 0.272 151 L C -1.293 175.613 176.870 0.061 0.000 0.980 151 L CA -0.013 54.871 54.840 0.073 0.000 0.836 151 L CB 1.064 43.156 42.059 0.055 0.000 1.238 151 L HN 0.605 nan 8.230 nan 0.000 0.408 152 I N 3.582 124.181 120.570 0.048 0.000 2.582 152 I HA 0.418 4.588 4.170 0.001 0.000 0.292 152 I C -0.637 175.496 176.117 0.027 0.000 1.066 152 I CA -0.643 60.685 61.300 0.047 0.000 1.053 152 I CB 2.352 40.380 38.000 0.046 0.000 1.241 152 I HN 0.590 nan 8.210 nan 0.000 0.421 153 E N 6.026 126.254 120.200 0.046 0.000 2.081 153 E HA 0.248 4.599 4.350 0.001 0.000 0.276 153 E C -1.059 175.561 176.600 0.032 0.000 0.950 153 E CA -0.598 55.808 56.400 0.009 0.000 0.776 153 E CB 0.963 30.703 29.700 0.066 0.000 1.094 153 E HN 0.414 nan 8.360 nan 0.000 0.402 154 Q N 3.395 123.145 119.800 -0.083 0.000 2.235 154 Q HA 0.295 4.636 4.340 0.001 0.000 0.256 154 Q C -1.249 174.645 176.000 -0.177 0.000 0.951 154 Q CA -0.408 55.388 55.803 -0.011 0.000 0.890 154 Q CB 1.554 30.291 28.738 -0.002 0.000 1.279 154 Q HN 0.523 nan 8.270 nan 0.000 0.444 155 W N 1.469 122.845 121.300 0.127 0.000 2.656 155 W HA 0.438 5.099 4.660 0.001 0.000 0.327 155 W C 0.047 176.653 176.519 0.145 0.000 1.041 155 W CA -0.434 57.018 57.345 0.179 0.000 1.229 155 W CB 1.353 31.007 29.460 0.322 0.000 1.397 155 W HN 0.352 nan 8.180 nan 0.000 0.479 156 N N 2.992 121.902 118.700 0.350 0.000 2.262 156 N HA 0.442 5.183 4.740 0.001 0.000 0.295 156 N C -2.804 172.902 175.510 0.327 0.000 1.161 156 N CA -1.713 51.504 53.050 0.278 0.000 0.767 156 N CB 2.390 40.997 38.487 0.200 0.000 1.499 156 N HN -0.059 nan 8.380 nan 0.000 0.476 157 P HA -0.023 nan 4.420 nan 0.000 0.267 157 P C 1.227 178.709 177.300 0.303 0.000 1.200 157 P CA -0.142 63.193 63.100 0.390 0.000 0.772 157 P CB 0.690 32.733 31.700 0.571 0.000 0.855 158 V N -0.288 119.764 119.914 0.230 0.000 2.871 158 V HA 0.227 4.347 4.120 0.001 0.000 0.256 158 V C 1.221 177.258 176.094 -0.095 0.000 1.082 158 V CA 1.667 64.021 62.300 0.090 0.000 1.105 158 V CB -1.381 30.501 31.823 0.098 0.000 0.713 158 V HN 0.853 nan 8.190 nan 0.000 0.473 159 G N 0.610 109.323 108.800 -0.145 0.000 2.433 159 G HA2 -0.093 3.867 3.960 0.001 0.000 0.211 159 G HA3 -0.093 3.867 3.960 0.001 0.000 0.211 159 G C -0.674 174.070 174.900 -0.260 0.000 1.214 159 G CA -0.138 44.553 45.100 -0.681 0.000 1.271 159 G HN 0.791 nan 8.290 nan 0.000 0.503 160 L N 1.945 123.063 121.223 -0.176 0.000 2.265 160 L HA 0.766 5.106 4.340 0.001 0.000 0.288 160 L C -0.018 176.888 176.870 0.060 0.000 1.058 160 L CA -0.728 54.107 54.840 -0.008 0.000 0.809 160 L CB 1.544 43.589 42.059 -0.024 0.000 1.179 160 L HN 0.541 nan 8.230 nan 0.000 0.429 161 V N 5.864 125.856 119.914 0.130 0.000 2.311 161 V HA 0.542 4.663 4.120 0.001 0.000 0.275 161 V C 0.887 177.083 176.094 0.171 0.000 1.022 161 V CA -0.366 62.033 62.300 0.165 0.000 0.830 161 V CB 0.796 32.767 31.823 0.245 0.000 1.012 161 V HN 0.941 nan 8.190 nan 0.000 0.452 162 G N 5.223 114.121 108.800 0.163 0.000 2.432 162 G HA2 0.622 4.583 3.960 0.001 0.000 0.257 162 G HA3 0.622 4.583 3.960 0.001 0.000 0.257 162 G C -0.622 174.409 174.900 0.219 0.000 1.238 162 G CA -0.313 44.906 45.100 0.199 0.000 0.838 162 G HN 0.654 nan 8.290 nan 0.000 0.547 163 I N 2.317 123.048 120.570 0.269 0.000 2.439 163 I HA 0.303 4.474 4.170 0.001 0.000 0.283 163 I C -0.469 175.857 176.117 0.348 0.000 1.023 163 I CA -0.397 61.065 61.300 0.270 0.000 1.100 163 I CB 1.875 40.017 38.000 0.236 0.000 1.238 163 I HN 0.218 nan 8.210 nan 0.000 0.445 164 I N 5.793 126.516 120.570 0.255 0.000 2.354 164 I HA 0.414 4.584 4.170 0.001 0.000 0.292 164 I C 0.223 176.363 176.117 0.038 0.000 0.989 164 I CA -0.259 61.161 61.300 0.200 0.000 1.188 164 I CB 1.954 40.103 38.000 0.248 0.000 1.342 164 I HN 0.573 nan 8.210 nan 0.000 0.457 165 T N 2.623 117.245 114.554 0.114 0.000 2.924 165 T HA 0.820 5.170 4.350 0.001 0.000 0.291 165 T C -0.227 174.466 174.700 -0.011 0.000 1.045 165 T CA -0.845 61.289 62.100 0.058 0.000 1.015 165 T CB 1.972 70.999 68.868 0.266 0.000 1.103 165 T HN 0.574 nan 8.240 nan 0.000 0.496 166 A N 1.386 124.162 122.820 -0.073 0.000 2.287 166 A HA 0.599 4.919 4.320 0.001 0.000 0.273 166 A C 0.907 178.461 177.584 -0.050 0.000 1.091 166 A CA -0.767 51.214 52.037 -0.093 0.000 0.817 166 A CB -0.257 18.622 19.000 -0.202 0.000 1.069 166 A HN 1.169 nan 8.150 nan 0.000 0.492 167 F N 1.147 121.057 119.950 -0.066 0.000 2.269 167 F HA -0.150 4.378 4.527 0.001 0.000 0.301 167 F C 1.649 177.322 175.800 -0.212 0.000 1.082 167 F CA 1.551 59.452 58.000 -0.164 0.000 1.360 167 F CB -0.481 38.330 39.000 -0.315 0.000 1.041 167 F HN 0.549 nan 8.300 nan 0.000 0.512 168 N N -0.045 118.128 118.700 -0.877 0.000 2.415 168 N HA -0.077 4.664 4.740 0.001 0.000 0.176 168 N C -0.201 174.901 175.510 -0.679 0.000 1.042 168 N CA 0.475 53.039 53.050 -0.810 0.000 0.902 168 N CB -0.669 37.309 38.487 -0.848 0.000 0.986 168 N HN 0.375 nan 8.380 nan 0.000 0.447 169 F N 1.391 121.218 119.950 -0.205 0.000 2.523 169 F HA 0.442 4.970 4.527 0.001 0.000 0.322 169 F C -1.700 174.025 175.800 -0.125 0.000 1.361 169 F CA -2.050 55.849 58.000 -0.167 0.000 1.151 169 F CB 1.799 40.657 39.000 -0.237 0.000 1.391 169 F HN -0.083 nan 8.300 nan 0.000 0.566 170 P HA -0.032 nan 4.420 nan 0.000 0.237 170 P C 1.076 178.508 177.300 0.220 0.000 1.178 170 P CA 0.937 64.115 63.100 0.130 0.000 0.766 170 P CB 0.840 32.600 31.700 0.100 0.000 0.876 171 V N -0.176 119.813 119.914 0.125 0.000 2.911 171 V HA 0.162 4.283 4.120 0.001 0.000 0.237 171 V C 2.651 178.668 176.094 -0.129 0.000 1.156 171 V CA 1.299 63.670 62.300 0.119 0.000 1.180 171 V CB -1.014 30.908 31.823 0.165 0.000 0.932 171 V HN -0.003 nan 8.190 nan 0.000 0.483 172 A N 0.121 122.793 122.820 -0.248 0.000 1.897 172 A HA -0.090 4.231 4.320 0.001 0.000 0.215 172 A C 2.294 179.100 177.584 -1.298 0.000 1.181 172 A CA 1.859 53.482 52.037 -0.690 0.000 0.620 172 A CB -0.532 18.098 19.000 -0.617 0.000 0.821 172 A HN 0.275 nan 8.150 nan 0.000 0.443 173 V N -1.195 118.128 119.914 -0.985 0.000 2.295 173 V HA -0.281 3.840 4.120 0.001 0.000 0.246 173 V C 2.360 178.146 176.094 -0.513 0.000 1.049 173 V CA 2.144 63.945 62.300 -0.832 0.000 1.024 173 V CB -1.043 30.570 31.823 -0.351 0.000 0.648 173 V HN 0.719 nan 8.190 nan 0.000 0.447 174 Y N 1.985 121.931 120.300 -0.590 0.000 2.128 174 Y HA -0.194 4.356 4.550 0.001 0.000 0.284 174 Y C 2.319 177.718 175.900 -0.835 0.000 1.154 174 Y CA 1.765 59.391 58.100 -0.790 0.000 1.149 174 Y CB -0.990 36.651 38.460 -1.365 0.000 0.976 174 Y HN 0.185 nan 8.280 nan 0.000 0.505 175 G N -0.188 107.888 108.800 -1.208 0.000 2.446 175 G HA2 -0.292 3.669 3.960 0.001 0.000 0.217 175 G HA3 -0.292 3.669 3.960 0.001 0.000 0.217 175 G C 1.373 175.766 174.900 -0.845 0.000 1.168 175 G CA 1.007 45.006 45.100 -1.835 0.000 0.771 175 G HN 0.529 nan 8.290 nan 0.000 0.551 176 W N 1.348 122.336 121.300 -0.519 0.000 2.338 176 W HA -0.038 4.622 4.660 0.001 0.000 0.304 176 W C 2.458 178.797 176.519 -0.300 0.000 1.212 176 W CA 0.790 57.955 57.345 -0.300 0.000 1.264 176 W CB -1.113 28.226 29.460 -0.201 0.000 1.142 176 W HN 0.236 nan 8.180 nan 0.000 0.512 177 N N 0.167 118.801 118.700 -0.110 0.000 2.142 177 N HA -0.180 4.561 4.740 0.001 0.000 0.186 177 N C 1.612 176.926 175.510 -0.326 0.000 1.023 177 N CA 1.281 54.255 53.050 -0.127 0.000 0.852 177 N CB -0.908 37.546 38.487 -0.055 0.000 0.998 177 N HN 0.308 nan 8.380 nan 0.000 0.424 178 N N 1.555 119.902 118.700 -0.590 0.000 2.039 178 N HA -0.134 4.606 4.740 0.001 0.000 0.193 178 N C 1.735 177.109 175.510 -0.227 0.000 1.044 178 N CA 1.540 54.270 53.050 -0.535 0.000 0.847 178 N CB -0.043 37.889 38.487 -0.926 0.000 1.030 178 N HN 0.102 nan 8.380 nan 0.000 0.422 179 A N 1.751 124.476 122.820 -0.159 0.000 1.883 179 A HA -0.115 4.205 4.320 0.001 0.000 0.217 179 A C 2.277 179.836 177.584 -0.043 0.000 1.186 179 A CA 1.230 53.269 52.037 0.004 0.000 0.624 179 A CB -0.546 18.515 19.000 0.102 0.000 0.822 179 A HN 0.377 nan 8.150 nan 0.000 0.444 180 I N -0.216 120.264 120.570 -0.150 0.000 2.202 180 I HA -0.182 3.988 4.170 0.001 0.000 0.242 180 I C 2.957 178.893 176.117 -0.302 0.000 1.091 180 I CA 1.404 62.556 61.300 -0.246 0.000 1.368 180 I CB -1.722 36.045 38.000 -0.389 0.000 1.058 180 I HN 0.357 nan 8.210 nan 0.000 0.410 181 A N 0.757 123.345 122.820 -0.387 0.000 1.933 181 A HA -0.190 4.131 4.320 0.001 0.000 0.218 181 A C 2.353 180.019 177.584 0.137 0.000 1.175 181 A CA 1.439 53.422 52.037 -0.092 0.000 0.628 181 A CB -0.424 18.615 19.000 0.066 0.000 0.814 181 A HN 0.264 nan 8.150 nan 0.000 0.444 182 M N -0.172 119.513 119.600 0.142 0.000 2.099 182 M HA -0.102 4.378 4.480 0.001 0.000 0.262 182 M C 2.352 178.865 176.300 0.356 0.000 1.067 182 M CA 1.798 57.326 55.300 0.380 0.000 1.124 182 M CB -1.149 31.630 32.600 0.298 0.000 1.353 182 M HN 0.699 nan 8.290 nan 0.000 0.410 183 I N -2.266 118.385 120.570 0.135 0.000 2.493 183 I HA -0.181 3.989 4.170 0.001 0.000 0.254 183 I C 2.061 178.150 176.117 -0.046 0.000 1.160 183 I CA 1.171 62.475 61.300 0.006 0.000 1.445 183 I CB -0.929 37.033 38.000 -0.063 0.000 1.086 183 I HN 0.094 nan 8.210 nan 0.000 0.433 184 C N 2.282 121.602 119.300 0.034 0.000 2.539 184 C HA 0.381 4.841 4.460 0.001 0.000 0.271 184 C C 1.927 177.006 174.990 0.148 0.000 1.412 184 C CA 0.513 59.585 59.018 0.090 0.000 1.729 184 C CB -1.670 26.191 27.740 0.202 0.000 1.739 184 C HN 0.935 nan 8.230 nan 0.000 0.570 185 G N 1.355 110.228 108.800 0.122 0.000 2.131 185 G HA2 -0.193 3.768 3.960 0.001 0.000 0.223 185 G HA3 -0.193 3.768 3.960 0.001 0.000 0.223 185 G C -0.292 174.900 174.900 0.486 0.000 0.990 185 G CA -0.233 44.898 45.100 0.051 0.000 0.671 185 G HN 0.538 nan 8.290 nan 0.000 0.521 186 N N -0.112 118.949 118.700 0.602 0.000 2.489 186 N HA 0.596 5.337 4.740 0.001 0.000 0.284 186 N C 0.618 176.491 175.510 0.605 0.000 1.158 186 N CA 0.221 53.648 53.050 0.629 0.000 0.965 186 N CB 2.327 41.060 38.487 0.409 0.000 1.195 186 N HN 0.669 nan 8.380 nan 0.000 0.506 187 V N -1.696 118.507 119.914 0.483 0.000 2.863 187 V HA 0.615 4.736 4.120 0.001 0.000 0.307 187 V C 0.047 176.238 176.094 0.161 0.000 1.061 187 V CA -0.623 61.799 62.300 0.204 0.000 1.024 187 V CB 0.971 32.910 31.823 0.193 0.000 1.049 187 V HN 0.623 nan 8.190 nan 0.000 0.471 188 C N 3.948 123.315 119.300 0.110 0.000 2.561 188 C HA 0.817 5.277 4.460 0.001 0.000 0.319 188 C C -0.441 174.654 174.990 0.173 0.000 1.198 188 C CA -0.510 58.602 59.018 0.157 0.000 1.665 188 C CB 0.900 28.738 27.740 0.164 0.000 2.258 188 C HN 0.970 nan 8.230 nan 0.000 0.493 189 L N 2.930 124.279 121.223 0.210 0.000 2.372 189 L HA 0.630 4.970 4.340 0.001 0.000 0.274 189 L C -1.362 175.713 176.870 0.341 0.000 0.988 189 L CA -0.180 54.794 54.840 0.222 0.000 0.833 189 L CB 0.737 42.883 42.059 0.146 0.000 1.236 189 L HN 0.822 nan 8.230 nan 0.000 0.410 190 W N 6.308 127.678 121.300 0.118 0.000 2.361 190 W HA 0.498 5.158 4.660 0.001 0.000 0.309 190 W C -0.709 175.836 176.519 0.043 0.000 1.122 190 W CA -1.000 56.389 57.345 0.072 0.000 1.208 190 W CB 1.040 30.409 29.460 -0.152 0.000 1.246 190 W HN 0.588 nan 8.180 nan 0.000 0.490 191 K N 5.252 125.826 120.400 0.291 0.000 2.572 191 K HA 0.473 4.794 4.320 0.001 0.000 0.244 191 K C 0.165 176.744 176.600 -0.036 0.000 0.965 191 K CA -0.361 55.938 56.287 0.020 0.000 0.943 191 K CB 0.469 33.034 32.500 0.108 0.000 1.154 191 K HN 0.706 nan 8.250 nan 0.000 0.447 192 G N 1.695 110.255 108.800 -0.400 0.000 2.588 192 G HA2 0.477 4.438 3.960 0.001 0.000 0.281 192 G HA3 0.477 4.438 3.960 0.001 0.000 0.281 192 G C -0.580 174.277 174.900 -0.073 0.000 1.236 192 G CA -0.663 44.306 45.100 -0.218 0.000 0.969 192 G HN 0.684 nan 8.290 nan 0.000 0.504 193 A N 0.331 123.159 122.820 0.012 0.000 2.520 193 A HA 0.449 4.769 4.320 0.001 0.000 0.245 193 A C -0.935 176.668 177.584 0.033 0.000 1.072 193 A CA -0.680 51.395 52.037 0.063 0.000 0.761 193 A CB 0.376 19.466 19.000 0.150 0.000 1.004 193 A HN 0.379 nan 8.150 nan 0.000 0.499 194 P HA -0.156 nan 4.420 nan 0.000 0.218 194 P C 1.465 178.790 177.300 0.043 0.000 1.148 194 P CA 2.097 65.210 63.100 0.021 0.000 0.822 194 P CB -0.109 31.608 31.700 0.028 0.000 0.784 195 T N -4.934 109.682 114.554 0.103 0.000 3.160 195 T HA -0.009 4.342 4.350 0.001 0.000 0.257 195 T C 0.980 175.788 174.700 0.181 0.000 1.147 195 T CA 1.156 63.340 62.100 0.141 0.000 1.064 195 T CB -1.230 67.760 68.868 0.203 0.000 0.949 195 T HN 0.203 nan 8.240 nan 0.000 0.526 196 T N -1.961 112.670 114.554 0.128 0.000 3.355 196 T HA 0.408 4.758 4.350 0.001 0.000 0.276 196 T C 1.352 176.043 174.700 -0.016 0.000 1.003 196 T CA -0.433 61.720 62.100 0.089 0.000 0.943 196 T CB 0.091 69.026 68.868 0.112 0.000 1.158 196 T HN 0.108 nan 8.240 nan 0.000 0.513 197 S N 1.321 116.996 115.700 -0.042 0.000 2.382 197 S HA 0.026 4.497 4.470 0.001 0.000 0.228 197 S C 1.799 176.336 174.600 -0.105 0.000 1.027 197 S CA 0.981 59.118 58.200 -0.104 0.000 0.991 197 S CB -0.375 62.779 63.200 -0.077 0.000 0.823 197 S HN 0.543 nan 8.310 nan 0.000 0.469 198 L N 0.779 121.961 121.223 -0.068 0.000 2.093 198 L HA -0.069 4.271 4.340 0.001 0.000 0.208 198 L C 2.143 178.992 176.870 -0.036 0.000 1.085 198 L CA 1.005 55.806 54.840 -0.065 0.000 0.755 198 L CB -0.602 41.413 42.059 -0.073 0.000 0.904 198 L HN 0.289 nan 8.230 nan 0.000 0.435 199 I N -0.658 119.908 120.570 -0.007 0.000 2.163 199 I HA -0.293 3.878 4.170 0.001 0.000 0.243 199 I C 2.633 178.762 176.117 0.019 0.000 1.085 199 I CA 1.272 62.600 61.300 0.047 0.000 1.347 199 I CB -0.302 37.752 38.000 0.090 0.000 1.044 199 I HN 0.167 nan 8.210 nan 0.000 0.408 200 S N 0.349 115.943 115.700 -0.177 0.000 2.356 200 S HA -0.151 4.320 4.470 0.001 0.000 0.223 200 S C 2.133 176.577 174.600 -0.260 0.000 1.032 200 S CA 1.344 59.189 58.200 -0.591 0.000 1.005 200 S CB -0.418 62.148 63.200 -1.057 0.000 0.867 200 S HN 0.221 nan 8.310 nan 0.000 0.449 201 V N 2.201 122.039 119.914 -0.127 0.000 2.255 201 V HA -0.261 3.860 4.120 0.001 0.000 0.247 201 V C 2.701 178.837 176.094 0.069 0.000 1.051 201 V CA 1.855 64.171 62.300 0.025 0.000 1.018 201 V CB -1.312 30.502 31.823 -0.014 0.000 0.641 201 V HN 0.558 nan 8.190 nan 0.000 0.445 202 A N -0.359 122.483 122.820 0.036 0.000 1.883 202 A HA -0.181 4.140 4.320 0.001 0.000 0.217 202 A C 2.392 180.051 177.584 0.125 0.000 1.186 202 A CA 2.249 54.322 52.037 0.059 0.000 0.624 202 A CB -0.758 18.279 19.000 0.061 0.000 0.822 202 A HN 0.346 nan 8.150 nan 0.000 0.444 203 V N -0.372 119.663 119.914 0.201 0.000 2.295 203 V HA -0.227 3.893 4.120 0.001 0.000 0.246 203 V C 2.733 178.994 176.094 0.277 0.000 1.049 203 V CA 2.472 64.947 62.300 0.292 0.000 1.024 203 V CB -1.292 30.824 31.823 0.488 0.000 0.648 203 V HN 0.607 nan 8.190 nan 0.000 0.447 204 T N -0.421 114.307 114.554 0.291 0.000 2.788 204 T HA -0.215 4.136 4.350 0.001 0.000 0.268 204 T C 1.921 176.710 174.700 0.148 0.000 1.044 204 T CA 1.501 63.736 62.100 0.225 0.000 1.139 204 T CB -0.223 68.770 68.868 0.209 0.000 0.867 204 T HN 0.481 nan 8.240 nan 0.000 0.454 205 K N 0.539 121.067 120.400 0.213 0.000 2.057 205 K HA 0.011 4.332 4.320 0.001 0.000 0.207 205 K C 2.168 178.808 176.600 0.067 0.000 1.049 205 K CA 1.145 57.520 56.287 0.146 0.000 0.931 205 K CB -0.300 32.207 32.500 0.011 0.000 0.714 205 K HN 0.323 nan 8.250 nan 0.000 0.440 206 I N 0.841 121.453 120.570 0.070 0.000 2.179 206 I HA -0.284 3.887 4.170 0.001 0.000 0.242 206 I C 2.171 178.310 176.117 0.037 0.000 1.088 206 I CA 1.322 62.648 61.300 0.044 0.000 1.357 206 I CB -0.188 37.837 38.000 0.043 0.000 1.051 206 I HN 0.111 nan 8.210 nan 0.000 0.409 207 I N 0.509 121.117 120.570 0.063 0.000 2.252 207 I HA -0.238 3.933 4.170 0.001 0.000 0.245 207 I C 2.780 178.909 176.117 0.020 0.000 1.102 207 I CA 1.156 62.492 61.300 0.060 0.000 1.385 207 I CB -0.514 37.568 38.000 0.137 0.000 1.064 207 I HN 0.157 nan 8.210 nan 0.000 0.414 208 A N 0.929 123.718 122.820 -0.052 0.000 1.908 208 A HA -0.286 4.035 4.320 0.001 0.000 0.218 208 A C 2.405 179.995 177.584 0.009 0.000 1.181 208 A CA 2.066 54.026 52.037 -0.130 0.000 0.627 208 A CB -0.589 18.071 19.000 -0.567 0.000 0.818 208 A HN 0.369 nan 8.150 nan 0.000 0.445 209 K N -0.284 120.130 120.400 0.023 0.000 2.063 209 K HA -0.115 4.205 4.320 0.001 0.000 0.208 209 K C 1.828 178.452 176.600 0.040 0.000 1.048 209 K CA 1.706 58.018 56.287 0.042 0.000 0.928 209 K CB -0.303 32.217 32.500 0.032 0.000 0.713 209 K HN 0.245 nan 8.250 nan 0.000 0.442 210 V N 1.866 121.798 119.914 0.030 0.000 2.295 210 V HA -0.269 3.852 4.120 0.001 0.000 0.246 210 V C 2.369 178.486 176.094 0.039 0.000 1.049 210 V CA 1.669 63.988 62.300 0.031 0.000 1.024 210 V CB -0.387 31.450 31.823 0.023 0.000 0.648 210 V HN 0.332 nan 8.190 nan 0.000 0.447 211 L N -0.406 120.839 121.223 0.037 0.000 2.046 211 L HA -0.211 4.130 4.340 0.001 0.000 0.208 211 L C 2.601 179.505 176.870 0.056 0.000 1.077 211 L CA 1.801 56.662 54.840 0.035 0.000 0.747 211 L CB -0.600 41.475 42.059 0.027 0.000 0.896 211 L HN 0.395 nan 8.230 nan 0.000 0.432 212 E N -0.192 120.052 120.200 0.074 0.000 2.106 212 E HA -0.202 4.148 4.350 0.001 0.000 0.192 212 E C 1.699 178.336 176.600 0.061 0.000 0.984 212 E CA 1.086 57.533 56.400 0.079 0.000 0.806 212 E CB -0.020 29.743 29.700 0.105 0.000 0.750 212 E HN 0.416 nan 8.360 nan 0.000 0.458 213 D N 0.517 120.948 120.400 0.053 0.000 2.218 213 D HA -0.086 4.554 4.640 0.001 0.000 0.204 213 D C 1.130 177.456 176.300 0.043 0.000 0.976 213 D CA 0.741 54.767 54.000 0.043 0.000 0.853 213 D CB -0.155 40.667 40.800 0.036 0.000 0.939 213 D HN 0.094 nan 8.370 nan 0.000 0.481 214 N N 0.562 119.291 118.700 0.049 0.000 2.314 214 N HA 0.014 4.755 4.740 0.001 0.000 0.200 214 N C -0.205 175.340 175.510 0.058 0.000 1.135 214 N CA 0.059 53.142 53.050 0.055 0.000 0.835 214 N CB 0.532 39.061 38.487 0.070 0.000 0.989 214 N HN 0.150 nan 8.380 nan 0.000 0.478 215 K N 0.393 120.825 120.400 0.052 0.000 3.071 215 K HA -0.162 4.158 4.320 0.001 0.000 0.265 215 K C -0.674 175.958 176.600 0.054 0.000 1.060 215 K CA 0.518 56.834 56.287 0.048 0.000 0.767 215 K CB -1.461 31.064 32.500 0.041 0.000 1.241 215 K HN 0.262 nan 8.250 nan 0.000 0.486 216 L N 0.788 122.045 121.223 0.057 0.000 2.334 216 L HA 0.486 4.826 4.340 0.001 0.000 0.272 216 L C -1.829 175.057 176.870 0.026 0.000 1.020 216 L CA -2.417 52.456 54.840 0.055 0.000 0.812 216 L CB 1.090 43.184 42.059 0.059 0.000 1.264 216 L HN -0.126 nan 8.230 nan 0.000 0.439 217 P HA 0.024 nan 4.420 nan 0.000 0.271 217 P C 0.613 177.885 177.300 -0.048 0.000 1.226 217 P CA -0.082 63.006 63.100 -0.020 0.000 0.765 217 P CB 1.066 32.754 31.700 -0.020 0.000 0.835 218 G N 3.469 112.248 108.800 -0.035 0.000 2.462 218 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 218 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 218 G C 1.412 176.255 174.900 -0.095 0.000 1.121 218 G CA 0.701 45.819 45.100 0.031 0.000 0.758 218 G HN 0.602 nan 8.290 nan 0.000 0.559 219 A N 0.280 122.979 122.820 -0.202 0.000 2.239 219 A HA 0.238 4.559 4.320 0.001 0.000 0.209 219 A C 2.173 179.699 177.584 -0.097 0.000 1.171 219 A CA 0.427 52.355 52.037 -0.182 0.000 0.768 219 A CB -0.299 18.599 19.000 -0.169 0.000 0.790 219 A HN 0.401 nan 8.150 nan 0.000 0.478 220 I N -0.881 119.608 120.570 -0.136 0.000 2.248 220 I HA -0.274 3.897 4.170 0.001 0.000 0.248 220 I C 0.358 176.390 176.117 -0.142 0.000 1.107 220 I CA 0.726 61.876 61.300 -0.250 0.000 1.373 220 I CB -0.180 37.467 38.000 -0.589 0.000 1.055 220 I HN 0.313 nan 8.210 nan 0.000 0.418 221 C N 1.094 120.379 119.300 -0.026 0.000 2.787 221 C HA 0.400 4.861 4.460 0.001 0.000 0.265 221 C C 0.580 175.685 174.990 0.191 0.000 1.190 221 C CA -0.910 58.178 59.018 0.117 0.000 1.616 221 C CB -0.757 27.074 27.740 0.153 0.000 1.732 221 C HN 0.172 nan 8.230 nan 0.000 0.433 222 S N 1.696 117.474 115.700 0.130 0.000 2.601 222 S HA 0.649 5.119 4.470 0.001 0.000 0.271 222 S C -0.401 174.293 174.600 0.157 0.000 1.305 222 S CA -0.339 57.909 58.200 0.079 0.000 1.022 222 S CB 1.130 64.321 63.200 -0.015 0.000 0.940 222 S HN 0.601 nan 8.310 nan 0.000 0.525 223 L N 2.817 124.095 121.223 0.092 0.000 2.385 223 L HA 0.634 4.974 4.340 0.001 0.000 0.273 223 L C -0.434 176.448 176.870 0.020 0.000 0.990 223 L CA -0.073 54.807 54.840 0.067 0.000 0.821 223 L CB 1.898 43.968 42.059 0.018 0.000 1.279 223 L HN 0.741 nan 8.230 nan 0.000 0.412 224 T N 1.003 115.577 114.554 0.033 0.000 3.141 224 T HA 0.359 4.710 4.350 0.001 0.000 0.377 224 T C -0.088 174.615 174.700 0.006 0.000 1.258 224 T CA -0.471 61.659 62.100 0.050 0.000 1.263 224 T CB -0.282 68.674 68.868 0.147 0.000 1.066 224 T HN 0.616 nan 8.240 nan 0.000 0.546 225 C N 2.864 122.140 119.300 -0.041 0.000 2.634 225 C HA 0.731 5.191 4.460 0.001 0.000 0.418 225 C C 1.495 176.472 174.990 -0.022 0.000 1.373 225 C CA 0.707 59.680 59.018 -0.075 0.000 1.756 225 C CB -0.847 26.846 27.740 -0.080 0.000 2.589 225 C HN 1.244 nan 8.230 nan 0.000 0.602 226 G N 1.951 110.736 108.800 -0.026 0.000 2.428 226 G HA2 0.615 4.575 3.960 0.001 0.000 0.304 226 G HA3 0.615 4.575 3.960 0.001 0.000 0.304 226 G C -0.456 174.446 174.900 0.003 0.000 1.303 226 G CA 0.133 45.231 45.100 -0.004 0.000 0.825 226 G HN 0.967 nan 8.290 nan 0.000 0.484 227 G N -1.317 107.489 108.800 0.010 0.000 3.099 227 G HA2 0.639 4.600 3.960 0.001 0.000 0.151 227 G HA3 0.639 4.600 3.960 0.001 0.000 0.151 227 G C 1.518 176.436 174.900 0.029 0.000 1.265 227 G CA 0.873 45.988 45.100 0.025 0.000 0.981 227 G HN 1.588 nan 8.290 nan 0.000 0.601 228 A N 0.294 123.132 122.820 0.030 0.000 1.972 228 A HA -0.040 4.280 4.320 0.001 0.000 0.219 228 A C 1.983 179.565 177.584 -0.004 0.000 1.169 228 A CA 2.467 54.520 52.037 0.028 0.000 0.635 228 A CB -0.771 18.244 19.000 0.025 0.000 0.810 228 A HN 0.616 nan 8.150 nan 0.000 0.446 229 D N 0.650 121.038 120.400 -0.020 0.000 2.092 229 D HA -0.192 4.449 4.640 0.001 0.000 0.193 229 D C 1.661 177.902 176.300 -0.099 0.000 0.994 229 D CA 1.368 55.337 54.000 -0.051 0.000 0.828 229 D CB -0.670 40.104 40.800 -0.043 0.000 0.963 229 D HN 0.342 nan 8.370 nan 0.000 0.450 230 I N 1.344 121.862 120.570 -0.087 0.000 2.252 230 I HA -0.062 4.108 4.170 0.001 0.000 0.245 230 I C 2.674 178.725 176.117 -0.111 0.000 1.102 230 I CA 1.362 62.575 61.300 -0.145 0.000 1.385 230 I CB -1.581 36.394 38.000 -0.042 0.000 1.064 230 I HN 0.210 nan 8.210 nan 0.000 0.414 231 G N 0.498 109.291 108.800 -0.011 0.000 2.446 231 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 231 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 231 G C 1.662 176.562 174.900 0.001 0.000 1.168 231 G CA 1.496 46.625 45.100 0.049 0.000 0.771 231 G HN 0.325 nan 8.290 nan 0.000 0.551 232 T N 1.659 116.190 114.554 -0.039 0.000 2.746 232 T HA 0.001 4.352 4.350 0.001 0.000 0.267 232 T C 2.801 177.445 174.700 -0.094 0.000 1.039 232 T CA 1.524 63.588 62.100 -0.061 0.000 1.142 232 T CB -0.377 68.456 68.868 -0.060 0.000 0.866 232 T HN 0.393 nan 8.240 nan 0.000 0.444 233 A N 1.370 124.081 122.820 -0.182 0.000 1.908 233 A HA -0.087 4.233 4.320 0.001 0.000 0.218 233 A C 2.326 179.809 177.584 -0.168 0.000 1.181 233 A CA 1.624 53.490 52.037 -0.284 0.000 0.627 233 A CB -0.701 17.895 19.000 -0.675 0.000 0.818 233 A HN 0.471 nan 8.150 nan 0.000 0.445 234 M N -0.554 118.985 119.600 -0.101 0.000 2.117 234 M HA -0.146 4.335 4.480 0.001 0.000 0.262 234 M C 2.481 178.825 176.300 0.074 0.000 1.065 234 M CA 1.516 56.876 55.300 0.099 0.000 1.114 234 M CB -0.371 32.324 32.600 0.159 0.000 1.361 234 M HN 0.464 nan 8.290 nan 0.000 0.408 235 A N 0.194 123.029 122.820 0.025 0.000 1.969 235 A HA -0.127 4.194 4.320 0.001 0.000 0.218 235 A C 2.026 179.606 177.584 -0.006 0.000 1.169 235 A CA 1.471 53.509 52.037 0.003 0.000 0.635 235 A CB -0.395 18.581 19.000 -0.040 0.000 0.810 235 A HN 0.440 nan 8.150 nan 0.000 0.445 236 K N -0.392 120.002 120.400 -0.009 0.000 2.393 236 K HA 0.018 4.338 4.320 0.001 0.000 0.193 236 K C -0.314 176.300 176.600 0.024 0.000 1.026 236 K CA 0.068 56.351 56.287 -0.007 0.000 1.064 236 K CB 0.213 32.699 32.500 -0.022 0.000 0.833 236 K HN 0.280 nan 8.250 nan 0.000 0.521 237 D N 1.919 122.353 120.400 0.057 0.000 2.339 237 D HA 0.013 4.654 4.640 0.001 0.000 0.241 237 D C 0.469 176.811 176.300 0.070 0.000 1.183 237 D CA 0.163 54.220 54.000 0.095 0.000 0.859 237 D CB 0.935 41.852 40.800 0.195 0.000 1.067 237 D HN 0.061 nan 8.370 nan 0.000 0.484 238 E N 2.456 122.688 120.200 0.052 0.000 2.331 238 E HA -0.169 4.181 4.350 0.001 0.000 0.199 238 E C 1.270 177.885 176.600 0.025 0.000 1.008 238 E CA 0.662 57.084 56.400 0.038 0.000 0.843 238 E CB 0.314 30.035 29.700 0.034 0.000 0.761 238 E HN 0.430 nan 8.360 nan 0.000 0.507 239 R N 0.314 120.832 120.500 0.030 0.000 2.275 239 R HA 0.039 4.380 4.340 0.001 0.000 0.199 239 R C 0.366 176.666 176.300 0.001 0.000 0.989 239 R CA 0.118 56.219 56.100 0.002 0.000 1.016 239 R CB 0.418 30.717 30.300 -0.002 0.000 0.918 239 R HN -0.096 nan 8.270 nan 0.000 0.473 240 V N 2.576 122.514 119.914 0.040 0.000 2.322 240 V HA 0.044 4.165 4.120 0.001 0.000 0.258 240 V C 0.318 176.433 176.094 0.035 0.000 1.074 240 V CA -0.094 62.238 62.300 0.053 0.000 0.909 240 V CB 0.841 32.727 31.823 0.105 0.000 1.090 240 V HN 0.271 nan 8.190 nan 0.000 0.486 241 N N 3.320 122.025 118.700 0.007 0.000 2.216 241 N HA 0.003 4.744 4.740 0.001 0.000 0.183 241 N C 0.167 175.692 175.510 0.025 0.000 1.017 241 N CA 0.668 53.718 53.050 -0.001 0.000 0.861 241 N CB 0.160 38.622 38.487 -0.043 0.000 0.986 241 N HN 0.530 nan 8.380 nan 0.000 0.428 242 L N 0.324 121.571 121.223 0.041 0.000 2.410 242 L HA 0.535 4.876 4.340 0.001 0.000 0.270 242 L C -1.831 175.077 176.870 0.064 0.000 0.983 242 L CA -1.015 53.846 54.840 0.036 0.000 0.822 242 L CB 1.643 43.712 42.059 0.015 0.000 1.285 242 L HN -0.111 nan 8.230 nan 0.000 0.409 243 L N 4.066 125.326 121.223 0.063 0.000 2.294 243 L HA 0.580 4.921 4.340 0.001 0.000 0.283 243 L C -0.355 176.583 176.870 0.113 0.000 1.015 243 L CA 0.214 55.118 54.840 0.106 0.000 0.831 243 L CB 1.402 43.527 42.059 0.110 0.000 1.217 243 L HN 0.731 nan 8.230 nan 0.000 0.420 244 S N 5.447 121.228 115.700 0.135 0.000 2.439 244 S HA 0.473 4.944 4.470 0.001 0.000 0.282 244 S C -0.821 173.908 174.600 0.215 0.000 1.170 244 S CA -0.342 57.944 58.200 0.143 0.000 1.054 244 S CB -0.155 63.129 63.200 0.141 0.000 0.956 244 S HN 0.446 nan 8.310 nan 0.000 0.490 245 F N 4.562 124.558 119.950 0.077 0.000 2.477 245 F HA 0.512 5.039 4.527 0.001 0.000 0.335 245 F C -0.302 175.551 175.800 0.088 0.000 1.130 245 F CA -0.285 57.765 58.000 0.083 0.000 0.948 245 F CB 1.713 40.747 39.000 0.057 0.000 1.154 245 F HN 0.412 nan 8.300 nan 0.000 0.439 246 T N 4.959 119.181 114.554 -0.554 0.000 2.786 246 T HA 0.794 5.145 4.350 0.001 0.000 0.283 246 T C -0.039 174.248 174.700 -0.687 0.000 0.992 246 T CA -0.290 61.590 62.100 -0.366 0.000 0.954 246 T CB 1.131 69.931 68.868 -0.114 0.000 0.934 246 T HN 1.062 nan 8.240 nan 0.000 0.440 247 G N 1.793 110.379 108.800 -0.357 0.000 2.336 247 G HA2 0.441 4.402 3.960 0.001 0.000 0.286 247 G HA3 0.441 4.402 3.960 0.001 0.000 0.286 247 G C -0.605 174.358 174.900 0.106 0.000 1.269 247 G CA -0.433 44.548 45.100 -0.198 0.000 0.873 247 G HN 0.867 nan 8.290 nan 0.000 0.494 248 S N -0.676 115.125 115.700 0.168 0.000 2.579 248 S HA 0.416 4.886 4.470 0.001 0.000 0.275 248 S C 1.357 176.069 174.600 0.186 0.000 1.345 248 S CA 0.998 59.274 58.200 0.127 0.000 1.031 248 S CB 1.309 64.564 63.200 0.091 0.000 0.892 248 S HN 0.815 nan 8.310 nan 0.000 0.529 249 T N 1.375 116.005 114.554 0.126 0.000 2.746 249 T HA -0.186 4.165 4.350 0.001 0.000 0.267 249 T C 1.875 176.606 174.700 0.051 0.000 1.039 249 T CA 1.874 64.035 62.100 0.102 0.000 1.142 249 T CB -0.495 68.452 68.868 0.131 0.000 0.866 249 T HN 0.812 nan 8.240 nan 0.000 0.444 250 Q N 0.477 120.313 119.800 0.061 0.000 2.030 250 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 250 Q C 2.280 178.272 176.000 -0.013 0.000 0.986 250 Q CA 1.653 57.473 55.803 0.028 0.000 0.843 250 Q CB -0.230 28.535 28.738 0.046 0.000 0.904 250 Q HN 0.368 nan 8.270 nan 0.000 0.420 251 V N 0.358 120.280 119.914 0.013 0.000 2.358 251 V HA -0.148 3.973 4.120 0.001 0.000 0.246 251 V C 2.324 178.220 176.094 -0.330 0.000 1.047 251 V CA 1.725 63.982 62.300 -0.070 0.000 1.035 251 V CB -1.144 30.733 31.823 0.090 0.000 0.658 251 V HN 0.644 nan 8.190 nan 0.000 0.452 252 G N -0.234 108.389 108.800 -0.295 0.000 2.442 252 G HA2 -0.323 3.638 3.960 0.001 0.000 0.219 252 G HA3 -0.323 3.638 3.960 0.001 0.000 0.219 252 G C 1.621 176.346 174.900 -0.291 0.000 1.141 252 G CA 1.142 45.965 45.100 -0.463 0.000 0.763 252 G HN 0.502 nan 8.290 nan 0.000 0.554 253 K N -0.281 120.012 120.400 -0.177 0.000 2.032 253 K HA -0.167 4.153 4.320 0.001 0.000 0.209 253 K C 2.639 179.140 176.600 -0.165 0.000 1.048 253 K CA 1.521 57.715 56.287 -0.154 0.000 0.927 253 K CB -0.099 32.325 32.500 -0.126 0.000 0.712 253 K HN 0.173 nan 8.250 nan 0.000 0.441 254 Q N 0.267 119.964 119.800 -0.173 0.000 2.079 254 Q HA -0.106 4.235 4.340 0.001 0.000 0.200 254 Q C 2.294 178.182 176.000 -0.188 0.000 0.974 254 Q CA 1.161 56.871 55.803 -0.156 0.000 0.840 254 Q CB -0.421 28.241 28.738 -0.126 0.000 0.898 254 Q HN 0.204 nan 8.270 nan 0.000 0.430 255 V N 0.800 120.538 119.914 -0.293 0.000 2.287 255 V HA -0.224 3.897 4.120 0.001 0.000 0.248 255 V C 2.339 178.317 176.094 -0.194 0.000 1.053 255 V CA 2.079 64.201 62.300 -0.296 0.000 1.027 255 V CB -1.287 30.196 31.823 -0.567 0.000 0.646 255 V HN 0.465 nan 8.190 nan 0.000 0.447 256 G N -0.546 108.139 108.800 -0.191 0.000 2.422 256 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 256 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 256 G C 1.600 176.430 174.900 -0.117 0.000 1.146 256 G CA 0.916 45.940 45.100 -0.127 0.000 0.769 256 G HN 0.463 nan 8.290 nan 0.000 0.547 257 L N -0.272 120.876 121.223 -0.124 0.000 2.056 257 L HA -0.034 4.306 4.340 0.001 0.000 0.207 257 L C 3.114 179.914 176.870 -0.116 0.000 1.078 257 L CA 1.031 55.801 54.840 -0.116 0.000 0.749 257 L CB -0.312 41.683 42.059 -0.106 0.000 0.901 257 L HN 0.224 nan 8.230 nan 0.000 0.433 258 M N -1.067 118.468 119.600 -0.108 0.000 2.117 258 M HA -0.195 4.285 4.480 0.001 0.000 0.262 258 M C 2.264 178.511 176.300 -0.088 0.000 1.065 258 M CA 1.415 56.659 55.300 -0.093 0.000 1.114 258 M CB -0.371 32.179 32.600 -0.083 0.000 1.361 258 M HN 0.090 nan 8.290 nan 0.000 0.408 259 V N -0.058 119.806 119.914 -0.084 0.000 2.427 259 V HA -0.248 3.873 4.120 0.001 0.000 0.248 259 V C 2.297 178.330 176.094 -0.101 0.000 1.051 259 V CA 1.865 64.127 62.300 -0.064 0.000 1.048 259 V CB -0.743 31.056 31.823 -0.041 0.000 0.666 259 V HN 0.445 nan 8.190 nan 0.000 0.456 260 Q N 0.972 120.689 119.800 -0.139 0.000 2.084 260 Q HA -0.254 4.087 4.340 0.001 0.000 0.202 260 Q C 2.081 177.853 176.000 -0.381 0.000 0.978 260 Q CA 2.264 57.929 55.803 -0.229 0.000 0.844 260 Q CB -0.455 28.168 28.738 -0.193 0.000 0.898 260 Q HN 0.657 nan 8.270 nan 0.000 0.426 261 E N 0.557 120.597 120.200 -0.266 0.000 2.171 261 E HA -0.224 4.127 4.350 0.001 0.000 0.197 261 E C 1.195 177.639 176.600 -0.259 0.000 0.997 261 E CA 1.821 58.064 56.400 -0.261 0.000 0.810 261 E CB -0.162 29.450 29.700 -0.147 0.000 0.738 261 E HN 0.580 nan 8.360 nan 0.000 0.467 262 R N -1.231 119.166 120.500 -0.171 0.000 2.427 262 R HA 0.193 4.534 4.340 0.001 0.000 0.262 262 R C -0.223 176.120 176.300 0.071 0.000 0.943 262 R CA 0.077 56.154 56.100 -0.038 0.000 1.081 262 R CB -0.520 29.779 30.300 -0.002 0.000 1.166 262 R HN -0.058 nan 8.270 nan 0.000 0.534 263 F N 0.748 120.690 119.950 -0.013 0.000 3.067 263 F HA -0.229 4.299 4.527 0.001 0.000 0.279 263 F C 0.963 176.756 175.800 -0.012 0.000 0.945 263 F CA 0.964 58.956 58.000 -0.013 0.000 0.948 263 F CB -1.635 37.357 39.000 -0.013 0.000 0.898 263 F HN 0.420 nan 8.300 nan 0.000 0.746 264 G N 0.235 109.088 108.800 0.088 0.000 2.543 264 G HA2 0.669 4.630 3.960 0.001 0.000 0.290 264 G HA3 0.669 4.630 3.960 0.001 0.000 0.290 264 G C -0.109 174.821 174.900 0.050 0.000 1.310 264 G CA -1.056 44.081 45.100 0.061 0.000 1.025 264 G HN 0.221 nan 8.290 nan 0.000 0.502 265 R N -0.291 120.229 120.500 0.034 0.000 2.514 265 R HA 0.547 4.888 4.340 0.001 0.000 0.301 265 R C -0.654 175.649 176.300 0.005 0.000 0.962 265 R CA -0.532 55.579 56.100 0.018 0.000 0.882 265 R CB 1.733 32.041 30.300 0.014 0.000 1.143 265 R HN 0.604 nan 8.270 nan 0.000 0.452 266 S N 2.303 118.000 115.700 -0.005 0.000 2.536 266 S HA 0.566 5.037 4.470 0.001 0.000 0.298 266 S C -0.533 174.059 174.600 -0.013 0.000 1.083 266 S CA -0.985 57.216 58.200 0.001 0.000 0.995 266 S CB 1.831 65.030 63.200 -0.001 0.000 1.058 266 S HN 0.610 nan 8.310 nan 0.000 0.488 267 L N 3.023 124.248 121.223 0.003 0.000 2.377 267 L HA 0.577 4.918 4.340 0.001 0.000 0.270 267 L C -1.805 175.110 176.870 0.075 0.000 0.991 267 L CA -0.848 53.987 54.840 -0.008 0.000 0.851 267 L CB 0.677 42.684 42.059 -0.086 0.000 1.218 267 L HN 0.737 nan 8.230 nan 0.000 0.420 268 L N 4.807 126.075 121.223 0.075 0.000 2.296 268 L HA 0.547 4.888 4.340 0.001 0.000 0.286 268 L C -0.379 176.565 176.870 0.123 0.000 1.023 268 L CA -0.565 54.360 54.840 0.141 0.000 0.812 268 L CB 1.679 43.797 42.059 0.099 0.000 1.223 268 L HN 0.515 nan 8.230 nan 0.000 0.421 269 E N 5.621 125.922 120.200 0.168 0.000 2.437 269 E HA 0.457 4.807 4.350 0.001 0.000 0.238 269 E C -0.663 176.024 176.600 0.144 0.000 0.969 269 E CA -0.134 56.349 56.400 0.138 0.000 0.759 269 E CB 1.961 31.763 29.700 0.169 0.000 1.283 269 E HN 0.527 nan 8.360 nan 0.000 0.416 270 L N -0.321 120.981 121.223 0.132 0.000 2.755 270 L HA 0.639 4.980 4.340 0.001 0.000 0.243 270 L C 1.193 178.132 176.870 0.116 0.000 1.579 270 L CA -1.251 53.675 54.840 0.144 0.000 1.669 270 L CB 0.017 42.166 42.059 0.151 0.000 2.294 270 L HN 0.348 nan 8.230 nan 0.000 0.588 271 G N -1.167 107.704 108.800 0.118 0.000 2.606 271 G HA2 0.472 4.433 3.960 0.001 0.000 0.252 271 G HA3 0.472 4.433 3.960 0.001 0.000 0.252 271 G C -0.473 174.511 174.900 0.139 0.000 1.206 271 G CA 0.201 45.376 45.100 0.125 0.000 0.861 271 G HN 0.708 nan 8.290 nan 0.000 0.561 272 G N -0.918 107.990 108.800 0.179 0.000 2.574 272 G HA2 0.445 4.405 3.960 0.001 0.000 0.299 272 G HA3 0.445 4.405 3.960 0.001 0.000 0.299 272 G C -0.951 174.061 174.900 0.188 0.000 1.298 272 G CA -0.578 44.623 45.100 0.168 0.000 0.952 272 G HN 0.637 nan 8.290 nan 0.000 0.477 273 N N 0.485 119.281 118.700 0.159 0.000 2.697 273 N HA 0.071 4.811 4.740 0.001 0.000 0.253 273 N C -0.914 174.706 175.510 0.183 0.000 1.604 273 N CA -0.534 52.620 53.050 0.174 0.000 0.772 273 N CB 0.189 38.751 38.487 0.125 0.000 1.267 273 N HN 0.461 nan 8.380 nan 0.000 0.510 274 N N 0.592 119.411 118.700 0.198 0.000 2.488 274 N HA 0.345 5.085 4.740 0.001 0.000 0.274 274 N C -0.315 175.350 175.510 0.259 0.000 1.111 274 N CA -0.113 53.061 53.050 0.206 0.000 0.974 274 N CB 1.788 40.388 38.487 0.188 0.000 1.089 274 N HN 0.364 nan 8.380 nan 0.000 0.465 275 A N 2.728 125.731 122.820 0.304 0.000 2.312 275 A HA 0.617 4.938 4.320 0.001 0.000 0.326 275 A C 0.086 177.895 177.584 0.375 0.000 1.172 275 A CA -0.653 51.625 52.037 0.402 0.000 0.821 275 A CB 0.544 19.874 19.000 0.551 0.000 1.166 275 A HN 0.682 nan 8.150 nan 0.000 0.493 276 I N 2.198 122.992 120.570 0.374 0.000 2.412 276 I HA 0.390 4.560 4.170 0.001 0.000 0.296 276 I C -0.729 175.614 176.117 0.375 0.000 0.987 276 I CA -0.308 61.208 61.300 0.360 0.000 1.180 276 I CB 1.635 39.815 38.000 0.300 0.000 1.340 276 I HN 0.488 nan 8.210 nan 0.000 0.455 277 I N 5.617 126.364 120.570 0.295 0.000 2.418 277 I HA 0.493 4.664 4.170 0.001 0.000 0.287 277 I C -0.122 176.146 176.117 0.251 0.000 1.008 277 I CA -0.522 60.893 61.300 0.191 0.000 1.104 277 I CB 1.871 39.788 38.000 -0.139 0.000 1.264 277 I HN 0.556 nan 8.210 nan 0.000 0.438 278 A N 6.862 129.851 122.820 0.283 0.000 2.256 278 A HA 0.718 5.039 4.320 0.001 0.000 0.317 278 A C -0.724 177.029 177.584 0.282 0.000 1.318 278 A CA -0.297 51.916 52.037 0.294 0.000 0.894 278 A CB 0.140 19.238 19.000 0.162 0.000 1.165 278 A HN 0.518 nan 8.150 nan 0.000 0.525 279 F N 0.434 120.584 119.950 0.333 0.000 2.375 279 F HA 0.232 4.760 4.527 0.001 0.000 0.313 279 F C 1.793 177.635 175.800 0.071 0.000 1.176 279 F CA 0.120 58.280 58.000 0.267 0.000 1.142 279 F CB 0.843 39.946 39.000 0.173 0.000 1.275 279 F HN 0.829 nan 8.300 nan 0.000 0.544 280 E N 0.521 120.741 120.200 0.034 0.000 2.160 280 E HA -0.251 4.100 4.350 0.001 0.000 0.195 280 E C 1.215 177.824 176.600 0.014 0.000 0.991 280 E CA 1.609 57.949 56.400 -0.100 0.000 0.810 280 E CB -0.107 29.354 29.700 -0.397 0.000 0.742 280 E HN 0.701 nan 8.360 nan 0.000 0.466 281 D N 0.051 120.489 120.400 0.064 0.000 2.340 281 D HA 0.037 4.678 4.640 0.001 0.000 0.220 281 D C 0.180 176.539 176.300 0.098 0.000 1.039 281 D CA 0.219 54.256 54.000 0.061 0.000 0.866 281 D CB -0.203 40.619 40.800 0.036 0.000 0.913 281 D HN 0.165 nan 8.370 nan 0.000 0.523 282 A N 0.736 123.646 122.820 0.150 0.000 2.498 282 A HA 0.107 4.427 4.320 0.001 0.000 0.239 282 A C 0.245 177.905 177.584 0.126 0.000 1.068 282 A CA -0.210 51.936 52.037 0.182 0.000 0.766 282 A CB 0.168 19.311 19.000 0.238 0.000 1.003 282 A HN 0.135 nan 8.150 nan 0.000 0.497 283 D N 2.276 122.759 120.400 0.139 0.000 2.344 283 D HA 0.169 4.809 4.640 0.001 0.000 0.253 283 D C 0.949 177.296 176.300 0.078 0.000 1.255 283 D CA 0.036 54.096 54.000 0.100 0.000 0.894 283 D CB 0.220 41.085 40.800 0.108 0.000 1.067 283 D HN 0.437 nan 8.370 nan 0.000 0.492 284 L N 2.913 124.162 121.223 0.043 0.000 2.217 284 L HA -0.133 4.207 4.340 0.001 0.000 0.211 284 L C 2.424 179.292 176.870 -0.003 0.000 1.107 284 L CA 0.852 55.697 54.840 0.007 0.000 0.783 284 L CB -0.509 41.551 42.059 0.003 0.000 0.919 284 L HN 0.402 nan 8.230 nan 0.000 0.442 285 S N 0.150 115.860 115.700 0.016 0.000 2.442 285 S HA -0.171 4.300 4.470 0.001 0.000 0.236 285 S C 1.822 176.436 174.600 0.023 0.000 1.007 285 S CA 0.878 59.087 58.200 0.015 0.000 0.965 285 S CB -0.279 62.934 63.200 0.022 0.000 0.773 285 S HN 0.337 nan 8.310 nan 0.000 0.504 286 L N 1.240 122.490 121.223 0.045 0.000 2.200 286 L HA 0.304 4.644 4.340 0.001 0.000 0.200 286 L C 2.431 179.291 176.870 -0.017 0.000 1.072 286 L CA 1.038 55.927 54.840 0.082 0.000 0.787 286 L CB -0.687 41.485 42.059 0.188 0.000 0.957 286 L HN 0.170 nan 8.230 nan 0.000 0.459 287 V N -0.744 119.082 119.914 -0.146 0.000 2.282 287 V HA -0.307 3.814 4.120 0.001 0.000 0.249 287 V C 2.488 178.420 176.094 -0.268 0.000 1.057 287 V CA 1.903 63.932 62.300 -0.452 0.000 1.032 287 V CB -0.693 30.930 31.823 -0.332 0.000 0.645 287 V HN 0.323 nan 8.190 nan 0.000 0.447 288 V N 0.750 120.589 119.914 -0.124 0.000 2.244 288 V HA -0.122 3.999 4.120 0.001 0.000 0.244 288 V C 0.294 176.374 176.094 -0.023 0.000 1.042 288 V CA 2.521 64.778 62.300 -0.071 0.000 1.006 288 V CB -1.899 29.895 31.823 -0.047 0.000 0.641 288 V HN 0.533 nan 8.190 nan 0.000 0.446 289 P HA -0.097 nan 4.420 nan 0.000 0.218 289 P C 1.860 179.211 177.300 0.086 0.000 1.148 289 P CA 1.571 64.694 63.100 0.039 0.000 0.822 289 P CB -0.061 31.656 31.700 0.028 0.000 0.784 290 S N 0.180 115.915 115.700 0.058 0.000 2.356 290 S HA -0.088 4.382 4.470 0.001 0.000 0.223 290 S C 2.205 176.893 174.600 0.147 0.000 1.032 290 S CA 1.433 59.718 58.200 0.142 0.000 1.005 290 S CB -0.978 62.307 63.200 0.141 0.000 0.867 290 S HN 0.197 nan 8.310 nan 0.000 0.449 291 A N 1.334 124.162 122.820 0.014 0.000 1.898 291 A HA -0.022 4.298 4.320 0.001 0.000 0.216 291 A C 2.124 179.771 177.584 0.105 0.000 1.181 291 A CA 1.359 53.421 52.037 0.042 0.000 0.620 291 A CB -0.760 18.223 19.000 -0.027 0.000 0.819 291 A HN 0.418 nan 8.150 nan 0.000 0.442 292 L N -1.341 119.950 121.223 0.114 0.000 1.989 292 L HA -0.160 4.180 4.340 0.001 0.000 0.211 292 L C 2.228 179.139 176.870 0.069 0.000 1.071 292 L CA 2.628 57.529 54.840 0.100 0.000 0.749 292 L CB -0.773 41.331 42.059 0.076 0.000 0.890 292 L HN 0.425 nan 8.230 nan 0.000 0.431 293 F N 0.393 120.349 119.950 0.010 0.000 2.102 293 F HA -0.130 4.397 4.527 0.001 0.000 0.298 293 F C 2.263 178.093 175.800 0.050 0.000 1.105 293 F CA 1.598 59.614 58.000 0.026 0.000 1.239 293 F CB -0.740 38.289 39.000 0.049 0.000 0.991 293 F HN 0.157 nan 8.300 nan 0.000 0.474 294 A N 0.016 122.860 122.820 0.040 0.000 1.969 294 A HA 0.066 4.387 4.320 0.001 0.000 0.218 294 A C 2.305 179.851 177.584 -0.064 0.000 1.169 294 A CA 1.587 53.604 52.037 -0.032 0.000 0.635 294 A CB -1.350 17.741 19.000 0.152 0.000 0.810 294 A HN 0.502 nan 8.150 nan 0.000 0.445 295 A N -0.579 122.229 122.820 -0.020 0.000 1.911 295 A HA 0.214 4.535 4.320 0.001 0.000 0.212 295 A C 2.089 179.635 177.584 -0.064 0.000 1.189 295 A CA 1.594 53.632 52.037 0.001 0.000 0.639 295 A CB -0.597 18.460 19.000 0.095 0.000 0.839 295 A HN 1.115 nan 8.150 nan 0.000 0.449 296 V N -2.793 117.043 119.914 -0.130 0.000 3.621 296 V HA 0.407 4.527 4.120 0.001 0.000 0.263 296 V C 1.208 177.246 176.094 -0.093 0.000 1.272 296 V CA 0.295 62.518 62.300 -0.129 0.000 1.080 296 V CB -1.050 30.580 31.823 -0.321 0.000 0.816 296 V HN 0.432 nan 8.190 nan 0.000 0.451 297 G N 0.897 109.555 108.800 -0.236 0.000 2.321 297 G HA2 0.317 4.278 3.960 0.001 0.000 0.237 297 G HA3 0.317 4.278 3.960 0.001 0.000 0.237 297 G C 0.664 175.431 174.900 -0.221 0.000 1.282 297 G CA 1.004 45.918 45.100 -0.311 0.000 0.886 297 G HN 1.016 nan 8.290 nan 0.000 0.528 298 T N 0.067 114.521 114.554 -0.166 0.000 4.146 298 T HA -0.146 4.205 4.350 0.001 0.000 0.336 298 T C 1.468 176.039 174.700 -0.215 0.000 0.762 298 T CA 1.618 63.608 62.100 -0.184 0.000 1.914 298 T CB -1.939 66.809 68.868 -0.200 0.000 1.897 298 T HN 2.622 nan 8.240 nan 0.000 0.862 299 A N -1.054 121.633 122.820 -0.222 0.000 2.783 299 A HA 0.153 4.474 4.320 0.001 0.000 0.292 299 A C 2.217 179.713 177.584 -0.146 0.000 1.495 299 A CA 1.518 53.414 52.037 -0.234 0.000 0.787 299 A CB -2.043 16.669 19.000 -0.480 0.000 1.017 299 A HN 2.681 nan 8.150 nan 0.000 0.516 300 G N -2.208 106.504 108.800 -0.147 0.000 2.160 300 G HA2 -0.300 3.661 3.960 0.001 0.000 0.251 300 G HA3 -0.300 3.661 3.960 0.001 0.000 0.251 300 G C 0.196 174.859 174.900 -0.396 0.000 1.008 300 G CA 0.938 45.929 45.100 -0.182 0.000 0.724 300 G HN 1.380 nan 8.290 nan 0.000 0.514 301 Q N -0.464 119.071 119.800 -0.442 0.000 2.225 301 Q HA 0.241 4.582 4.340 0.001 0.000 0.259 301 Q C 0.945 176.666 176.000 -0.466 0.000 0.872 301 Q CA -0.275 55.069 55.803 -0.766 0.000 1.042 301 Q CB 0.616 29.200 28.738 -0.257 0.000 1.142 301 Q HN 0.494 nan 8.270 nan 0.000 0.463 302 R N 0.069 120.429 120.500 -0.235 0.000 2.486 302 R HA 0.164 4.504 4.340 0.001 0.000 0.286 302 R C 1.277 177.767 176.300 0.316 0.000 0.999 302 R CA -0.225 55.987 56.100 0.187 0.000 0.993 302 R CB 0.966 31.399 30.300 0.221 0.000 1.084 302 R HN 0.378 nan 8.270 nan 0.000 0.487 303 C N -0.867 118.743 119.300 0.517 0.000 2.411 303 C HA -0.097 4.364 4.460 0.001 0.000 0.279 303 C C 2.128 177.314 174.990 0.327 0.000 1.288 303 C CA 0.896 60.190 59.018 0.460 0.000 1.764 303 C CB -1.373 26.587 27.740 0.366 0.000 1.974 303 C HN 0.883 nan 8.230 nan 0.000 0.498 304 T N -2.322 112.406 114.554 0.290 0.000 3.144 304 T HA 0.112 4.463 4.350 0.001 0.000 0.249 304 T C 0.454 175.257 174.700 0.172 0.000 1.089 304 T CA 0.261 62.500 62.100 0.231 0.000 0.989 304 T CB -0.836 68.185 68.868 0.255 0.000 0.992 304 T HN 0.521 nan 8.240 nan 0.000 0.540 305 T N 3.456 118.089 114.554 0.132 0.000 2.933 305 T HA 0.398 4.748 4.350 0.001 0.000 0.306 305 T C 0.620 175.385 174.700 0.108 0.000 1.045 305 T CA -0.005 62.130 62.100 0.059 0.000 1.143 305 T CB 0.232 69.084 68.868 -0.027 0.000 1.003 305 T HN 0.591 nan 8.240 nan 0.000 0.540 306 A N 4.032 126.913 122.820 0.102 0.000 2.451 306 A HA 0.262 4.583 4.320 0.001 0.000 0.266 306 A C 1.201 178.864 177.584 0.131 0.000 1.119 306 A CA -0.274 51.849 52.037 0.143 0.000 0.786 306 A CB 0.161 19.249 19.000 0.146 0.000 1.061 306 A HN 0.946 nan 8.150 nan 0.000 0.503 307 R N 1.430 122.038 120.500 0.179 0.000 2.419 307 R HA 0.140 4.481 4.340 0.001 0.000 0.235 307 R C -0.163 176.299 176.300 0.271 0.000 0.899 307 R CA 0.226 56.445 56.100 0.198 0.000 1.048 307 R CB 0.637 31.088 30.300 0.253 0.000 1.182 307 R HN 0.694 nan 8.270 nan 0.000 0.544 308 R N 1.176 121.843 120.500 0.277 0.000 2.532 308 R HA 0.367 4.708 4.340 0.001 0.000 0.297 308 R C -1.626 174.799 176.300 0.208 0.000 0.984 308 R CA -0.855 55.426 56.100 0.302 0.000 0.884 308 R CB 2.284 32.821 30.300 0.395 0.000 1.182 308 R HN -0.150 nan 8.270 nan 0.000 0.442 309 L N 3.925 125.189 121.223 0.068 0.000 2.342 309 L HA 0.511 4.852 4.340 0.001 0.000 0.276 309 L C -1.659 175.268 176.870 0.094 0.000 0.997 309 L CA -0.367 54.536 54.840 0.105 0.000 0.838 309 L CB 0.863 42.942 42.059 0.033 0.000 1.224 309 L HN 0.443 nan 8.230 nan 0.000 0.416 310 F N 6.001 126.165 119.950 0.357 0.000 2.410 310 F HA 0.606 5.134 4.527 0.001 0.000 0.349 310 F C 0.167 176.247 175.800 0.467 0.000 1.117 310 F CA -0.307 57.968 58.000 0.458 0.000 1.104 310 F CB 1.143 40.319 39.000 0.292 0.000 1.122 310 F HN 0.259 nan 8.300 nan 0.000 0.483 311 I N 2.879 123.838 120.570 0.649 0.000 2.498 311 I HA 0.206 4.376 4.170 0.001 0.000 0.290 311 I C -0.056 176.104 176.117 0.073 0.000 1.032 311 I CA -0.919 60.612 61.300 0.386 0.000 1.073 311 I CB 1.669 39.792 38.000 0.205 0.000 1.251 311 I HN 0.560 nan 8.210 nan 0.000 0.426 312 H N 4.519 123.335 119.070 -0.423 0.000 2.972 312 H HA -0.035 4.521 4.556 0.001 0.000 0.343 312 H C 1.163 176.298 175.328 -0.322 0.000 1.054 312 H CA 1.104 56.627 56.048 -0.875 0.000 1.412 312 H CB 1.277 30.669 29.762 -0.616 0.000 1.385 312 H HN 0.935 nan 8.280 nan 0.000 0.600 313 E N 2.861 122.572 120.200 -0.814 0.000 2.171 313 E HA -0.231 4.120 4.350 0.001 0.000 0.197 313 E C 2.216 178.735 176.600 -0.134 0.000 0.997 313 E CA 1.818 57.989 56.400 -0.381 0.000 0.810 313 E CB -0.723 28.732 29.700 -0.409 0.000 0.738 313 E HN 0.784 nan 8.360 nan 0.000 0.467 314 S N 0.129 115.827 115.700 -0.004 0.000 2.399 314 S HA -0.049 4.422 4.470 0.001 0.000 0.231 314 S C 2.028 176.684 174.600 0.095 0.000 1.022 314 S CA 1.397 59.671 58.200 0.123 0.000 0.983 314 S CB -0.563 62.785 63.200 0.245 0.000 0.803 314 S HN 0.974 nan 8.310 nan 0.000 0.480 315 I N -2.401 118.231 120.570 0.104 0.000 4.082 315 I HA 0.346 4.516 4.170 0.001 0.000 0.337 315 I C 2.120 178.276 176.117 0.064 0.000 1.352 315 I CA -0.288 61.054 61.300 0.070 0.000 1.097 315 I CB -0.496 37.541 38.000 0.061 0.000 1.048 315 I HN 0.143 nan 8.210 nan 0.000 0.393 316 H N 2.901 121.960 119.070 -0.019 0.000 2.289 316 H HA -0.211 4.346 4.556 0.001 0.000 0.296 316 H C 1.124 176.436 175.328 -0.027 0.000 1.091 316 H CA 2.714 58.748 56.048 -0.022 0.000 1.274 316 H CB 0.099 29.842 29.762 -0.032 0.000 1.364 316 H HN 0.358 nan 8.280 nan 0.000 0.490 317 D N 0.309 120.782 120.400 0.122 0.000 2.117 317 D HA -0.136 4.504 4.640 0.001 0.000 0.198 317 D C 2.254 178.521 176.300 -0.054 0.000 0.982 317 D CA 1.123 55.143 54.000 0.033 0.000 0.828 317 D CB -0.405 40.448 40.800 0.088 0.000 0.967 317 D HN 0.622 nan 8.370 nan 0.000 0.464 318 E N 0.573 120.756 120.200 -0.028 0.000 2.051 318 E HA -0.151 4.199 4.350 0.001 0.000 0.192 318 E C 2.014 178.572 176.600 -0.071 0.000 0.991 318 E CA 0.912 57.290 56.400 -0.037 0.000 0.799 318 E CB 0.137 29.828 29.700 -0.014 0.000 0.748 318 E HN 0.007 nan 8.360 nan 0.000 0.449 319 V N 0.601 120.460 119.914 -0.092 0.000 2.295 319 V HA -0.244 3.877 4.120 0.001 0.000 0.246 319 V C 2.475 178.465 176.094 -0.175 0.000 1.049 319 V CA 1.491 63.719 62.300 -0.119 0.000 1.024 319 V CB -0.315 31.442 31.823 -0.110 0.000 0.648 319 V HN 0.221 nan 8.190 nan 0.000 0.447 320 V N 0.725 120.486 119.914 -0.254 0.000 2.332 320 V HA -0.265 3.856 4.120 0.001 0.000 0.248 320 V C 2.344 178.320 176.094 -0.196 0.000 1.055 320 V CA 2.233 64.366 62.300 -0.278 0.000 1.038 320 V CB -0.874 30.731 31.823 -0.362 0.000 0.651 320 V HN 0.572 nan 8.190 nan 0.000 0.450 321 N N 0.198 118.816 118.700 -0.138 0.000 2.142 321 N HA -0.124 4.617 4.740 0.001 0.000 0.186 321 N C 1.999 177.454 175.510 -0.093 0.000 1.023 321 N CA 1.336 54.329 53.050 -0.095 0.000 0.852 321 N CB -0.349 38.103 38.487 -0.059 0.000 0.998 321 N HN 0.477 nan 8.380 nan 0.000 0.424 322 R N 0.198 120.644 120.500 -0.089 0.000 2.081 322 R HA -0.035 4.306 4.340 0.001 0.000 0.235 322 R C 2.025 178.269 176.300 -0.093 0.000 1.131 322 R CA 0.651 56.707 56.100 -0.074 0.000 0.960 322 R CB -0.390 29.874 30.300 -0.060 0.000 0.856 322 R HN 0.099 nan 8.270 nan 0.000 0.436 323 L N 1.583 122.724 121.223 -0.137 0.000 2.056 323 L HA -0.152 4.188 4.340 0.001 0.000 0.207 323 L C 1.737 178.435 176.870 -0.287 0.000 1.078 323 L CA 1.800 56.537 54.840 -0.172 0.000 0.749 323 L CB -0.206 41.710 42.059 -0.238 0.000 0.901 323 L HN 0.005 nan 8.230 nan 0.000 0.433 324 K N -0.855 119.355 120.400 -0.318 0.000 2.063 324 K HA -0.172 4.148 4.320 0.001 0.000 0.208 324 K C 2.086 178.555 176.600 -0.219 0.000 1.048 324 K CA 1.142 57.226 56.287 -0.338 0.000 0.928 324 K CB -0.158 32.260 32.500 -0.136 0.000 0.713 324 K HN 0.199 nan 8.250 nan 0.000 0.442 325 K N 0.588 120.921 120.400 -0.111 0.000 2.057 325 K HA -0.073 4.248 4.320 0.001 0.000 0.206 325 K C 2.214 178.781 176.600 -0.055 0.000 1.050 325 K CA 1.226 57.480 56.287 -0.056 0.000 0.935 325 K CB -0.213 32.266 32.500 -0.035 0.000 0.715 325 K HN 0.137 nan 8.250 nan 0.000 0.439 326 A N 0.482 123.274 122.820 -0.046 0.000 1.902 326 A HA -0.173 4.147 4.320 0.001 0.000 0.217 326 A C 2.018 179.590 177.584 -0.021 0.000 1.181 326 A CA 1.204 53.235 52.037 -0.010 0.000 0.623 326 A CB -0.689 18.327 19.000 0.027 0.000 0.818 326 A HN 0.205 nan 8.150 nan 0.000 0.443 327 Y N 0.028 120.119 120.300 -0.349 0.000 2.128 327 Y HA -0.149 4.401 4.550 0.001 0.000 0.284 327 Y C 2.944 178.595 175.900 -0.415 0.000 1.154 327 Y CA 0.614 58.403 58.100 -0.518 0.000 1.149 327 Y CB -0.902 36.948 38.460 -1.016 0.000 0.976 327 Y HN 0.329 nan 8.280 nan 0.000 0.505 328 A N -0.246 122.469 122.820 -0.174 0.000 2.032 328 A HA -0.213 4.107 4.320 0.001 0.000 0.221 328 A C 1.925 179.517 177.584 0.013 0.000 1.165 328 A CA 1.687 53.754 52.037 0.051 0.000 0.645 328 A CB -0.408 18.660 19.000 0.113 0.000 0.807 328 A HN 0.448 nan 8.150 nan 0.000 0.453 329 Q N -0.554 119.229 119.800 -0.028 0.000 2.425 329 Q HA 0.236 4.577 4.340 0.001 0.000 0.204 329 Q C 0.281 176.258 176.000 -0.037 0.000 0.933 329 Q CA 0.001 55.791 55.803 -0.022 0.000 0.939 329 Q CB -0.263 28.464 28.738 -0.019 0.000 1.044 329 Q HN 0.697 nan 8.270 nan 0.000 0.513 330 I N 2.337 122.862 120.570 -0.076 0.000 2.742 330 I HA -0.107 4.064 4.170 0.001 0.000 0.287 330 I C 0.747 176.839 176.117 -0.042 0.000 1.186 330 I CA 0.126 61.371 61.300 -0.092 0.000 1.417 330 I CB 0.219 38.083 38.000 -0.227 0.000 1.377 330 I HN -0.143 nan 8.210 nan 0.000 0.556 331 R N 6.533 127.030 120.500 -0.005 0.000 2.288 331 R HA 0.309 4.650 4.340 0.001 0.000 0.330 331 R C -0.655 175.677 176.300 0.054 0.000 1.069 331 R CA -0.378 55.730 56.100 0.012 0.000 0.941 331 R CB 0.123 30.428 30.300 0.008 0.000 0.998 331 R HN 0.463 nan 8.270 nan 0.000 0.452 332 V N 4.253 124.198 119.914 0.052 0.000 2.532 332 V HA 0.933 5.054 4.120 0.001 0.000 0.295 332 V C 1.264 177.359 176.094 0.000 0.000 1.041 332 V CA 0.462 62.830 62.300 0.113 0.000 0.926 332 V CB 1.636 33.525 31.823 0.111 0.000 0.992 332 V HN 1.125 nan 8.190 nan 0.000 0.457 333 G N 3.083 111.889 108.800 0.010 0.000 2.360 333 G HA2 0.111 4.072 3.960 0.001 0.000 0.276 333 G HA3 0.111 4.072 3.960 0.001 0.000 0.276 333 G C -1.392 173.449 174.900 -0.098 0.000 1.256 333 G CA -0.905 44.124 45.100 -0.118 0.000 0.890 333 G HN 0.479 nan 8.290 nan 0.000 0.486 334 N N 1.991 120.506 118.700 -0.308 0.000 2.497 334 N HA 0.276 5.017 4.740 0.001 0.000 0.268 334 N C -1.442 173.667 175.510 -0.669 0.000 1.171 334 N CA -1.127 51.513 53.050 -0.683 0.000 0.948 334 N CB 1.893 39.603 38.487 -1.294 0.000 1.069 334 N HN 0.163 nan 8.380 nan 0.000 0.460 335 P HA -0.070 nan 4.420 nan 0.000 0.226 335 P C 0.698 177.974 177.300 -0.040 0.000 1.153 335 P CA 1.024 64.022 63.100 -0.171 0.000 0.777 335 P CB -0.060 31.627 31.700 -0.022 0.000 0.794 336 W N -1.050 120.283 121.300 0.055 0.000 3.290 336 W HA 0.373 5.033 4.660 0.001 0.000 0.287 336 W C -0.411 176.114 176.519 0.010 0.000 1.288 336 W CA -0.553 56.805 57.345 0.023 0.000 1.725 336 W CB -0.898 28.583 29.460 0.035 0.000 1.103 336 W HN -0.284 nan 8.180 nan 0.000 0.670 337 D N 1.991 122.289 120.400 -0.169 0.000 2.225 337 D HA 0.209 4.850 4.640 0.001 0.000 0.249 337 D C -2.216 174.069 176.300 -0.025 0.000 1.052 337 D CA -2.014 51.940 54.000 -0.077 0.000 0.909 337 D CB 0.946 41.633 40.800 -0.189 0.000 1.186 337 D HN -0.273 nan 8.370 nan 0.000 0.431 338 P HA 0.042 nan 4.420 nan 0.000 0.264 338 P C 0.006 177.303 177.300 -0.005 0.000 1.183 338 P CA 0.145 63.249 63.100 0.006 0.000 0.763 338 P CB 0.338 32.044 31.700 0.010 0.000 0.807 339 N N -1.110 117.592 118.700 0.003 0.000 2.828 339 N HA -0.134 4.606 4.740 0.001 0.000 0.248 339 N C -0.498 175.014 175.510 0.002 0.000 1.044 339 N CA 0.604 53.656 53.050 0.004 0.000 0.851 339 N CB -1.917 36.570 38.487 0.000 0.000 1.136 339 N HN 0.190 nan 8.380 nan 0.000 0.572 340 V N 1.592 121.503 119.914 -0.006 0.000 2.530 340 V HA 0.164 4.285 4.120 0.001 0.000 0.282 340 V C 1.720 177.829 176.094 0.026 0.000 1.048 340 V CA -0.044 62.255 62.300 -0.003 0.000 0.997 340 V CB 1.457 33.251 31.823 -0.048 0.000 0.987 340 V HN 0.157 nan 8.190 nan 0.000 0.477 341 L N 4.498 125.756 121.223 0.058 0.000 2.701 341 L HA 0.353 4.694 4.340 0.001 0.000 0.238 341 L C -0.304 176.649 176.870 0.138 0.000 1.106 341 L CA 0.242 55.133 54.840 0.084 0.000 0.898 341 L CB 0.318 42.422 42.059 0.076 0.000 1.188 341 L HN 0.621 nan 8.230 nan 0.000 0.508 342 Y N 0.351 120.641 120.300 -0.017 0.000 2.332 342 Y HA 0.627 5.177 4.550 0.001 0.000 0.325 342 Y C 0.168 176.094 175.900 0.043 0.000 1.054 342 Y CA -1.030 57.061 58.100 -0.015 0.000 1.119 342 Y CB 1.335 39.780 38.460 -0.025 0.000 1.168 342 Y HN -0.088 nan 8.280 nan 0.000 0.439 343 G N 5.139 113.693 108.800 -0.411 0.000 2.795 343 G HA2 0.636 4.597 3.960 0.001 0.000 0.267 343 G HA3 0.636 4.597 3.960 0.001 0.000 0.267 343 G C -2.960 171.433 174.900 -0.845 0.000 1.362 343 G CA -1.817 43.056 45.100 -0.379 0.000 1.048 343 G HN 0.389 nan 8.290 nan 0.000 0.547 344 P HA 0.336 nan 4.420 nan 0.000 0.278 344 P C -0.067 176.903 177.300 -0.550 0.000 1.258 344 P CA -0.506 61.948 63.100 -1.077 0.000 0.811 344 P CB 1.394 32.482 31.700 -1.019 0.000 1.063 345 L N 0.835 121.810 121.223 -0.413 0.000 2.464 345 L HA 0.060 4.400 4.340 0.001 0.000 0.264 345 L C 2.209 178.989 176.870 -0.150 0.000 1.199 345 L CA -0.136 54.575 54.840 -0.215 0.000 0.818 345 L CB -0.251 41.712 42.059 -0.160 0.000 1.102 345 L HN 0.591 nan 8.230 nan 0.000 0.473 346 H N 0.037 118.988 119.070 -0.199 0.000 2.462 346 H HA -0.022 4.534 4.556 0.001 0.000 0.292 346 H C 0.517 175.691 175.328 -0.256 0.000 1.049 346 H CA 1.140 57.030 56.048 -0.263 0.000 1.334 346 H CB 0.312 29.741 29.762 -0.555 0.000 1.404 346 H HN 0.734 nan 8.280 nan 0.000 0.544 347 T N -3.612 110.783 114.554 -0.266 0.000 2.865 347 T HA 0.302 4.653 4.350 0.001 0.000 0.294 347 T C 0.675 175.285 174.700 -0.150 0.000 1.119 347 T CA -0.976 60.968 62.100 -0.261 0.000 1.007 347 T CB 2.031 70.759 68.868 -0.234 0.000 1.225 347 T HN 0.103 nan 8.240 nan 0.000 0.515 348 K N -0.047 120.273 120.400 -0.134 0.000 2.097 348 K HA -0.105 4.215 4.320 0.001 0.000 0.205 348 K C 2.623 179.200 176.600 -0.038 0.000 1.050 348 K CA 1.057 57.296 56.287 -0.080 0.000 0.938 348 K CB -0.231 32.216 32.500 -0.088 0.000 0.718 348 K HN 0.478 nan 8.250 nan 0.000 0.442 349 Q N 0.534 120.309 119.800 -0.042 0.000 2.124 349 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 349 Q C 2.146 178.170 176.000 0.040 0.000 0.977 349 Q CA 1.408 57.211 55.803 -0.000 0.000 0.850 349 Q CB -0.365 28.371 28.738 -0.003 0.000 0.901 349 Q HN 0.544 nan 8.270 nan 0.000 0.429 350 A N -0.409 122.428 122.820 0.028 0.000 1.933 350 A HA -0.101 4.220 4.320 0.001 0.000 0.218 350 A C 2.320 179.972 177.584 0.114 0.000 1.175 350 A CA 1.730 53.819 52.037 0.085 0.000 0.628 350 A CB -0.710 18.326 19.000 0.060 0.000 0.814 350 A HN 0.457 nan 8.150 nan 0.000 0.444 351 V N -0.074 119.878 119.914 0.064 0.000 2.295 351 V HA -0.231 3.890 4.120 0.001 0.000 0.246 351 V C 2.788 178.994 176.094 0.187 0.000 1.049 351 V CA 2.330 64.693 62.300 0.104 0.000 1.024 351 V CB -0.893 30.954 31.823 0.041 0.000 0.648 351 V HN 0.572 nan 8.190 nan 0.000 0.447 352 S N -0.316 115.455 115.700 0.117 0.000 2.359 352 S HA -0.207 4.264 4.470 0.001 0.000 0.224 352 S C 2.008 176.682 174.600 0.124 0.000 1.035 352 S CA 1.656 59.919 58.200 0.105 0.000 1.018 352 S CB -0.363 62.875 63.200 0.063 0.000 0.876 352 S HN 0.380 nan 8.310 nan 0.000 0.448 353 M N 0.480 120.163 119.600 0.138 0.000 2.159 353 M HA -0.038 4.442 4.480 0.001 0.000 0.263 353 M C 1.986 178.396 176.300 0.182 0.000 1.063 353 M CA 1.249 56.638 55.300 0.148 0.000 1.110 353 M CB -1.389 31.310 32.600 0.164 0.000 1.374 353 M HN 0.391 nan 8.290 nan 0.000 0.411 354 F N 1.490 121.488 119.950 0.081 0.000 2.069 354 F HA -0.227 4.300 4.527 0.001 0.000 0.298 354 F C 2.045 177.886 175.800 0.069 0.000 1.113 354 F CA 1.705 59.752 58.000 0.078 0.000 1.214 354 F CB -0.476 38.565 39.000 0.068 0.000 0.978 354 F HN 0.009 nan 8.300 nan 0.000 0.474 355 L N 0.134 121.375 121.223 0.030 0.000 2.046 355 L HA -0.123 4.217 4.340 0.001 0.000 0.208 355 L C 2.865 179.677 176.870 -0.096 0.000 1.077 355 L CA 1.265 56.044 54.840 -0.103 0.000 0.747 355 L CB -1.699 40.397 42.059 0.062 0.000 0.896 355 L HN 0.395 nan 8.230 nan 0.000 0.432 356 G N -0.171 108.619 108.800 -0.017 0.000 2.476 356 G HA2 -0.295 3.665 3.960 0.001 0.000 0.218 356 G HA3 -0.295 3.665 3.960 0.001 0.000 0.218 356 G C 1.769 176.659 174.900 -0.016 0.000 1.164 356 G CA 0.955 46.053 45.100 -0.003 0.000 0.768 356 G HN 0.478 nan 8.290 nan 0.000 0.560 357 A N 0.017 122.827 122.820 -0.017 0.000 1.877 357 A HA 0.086 4.407 4.320 0.001 0.000 0.216 357 A C 2.626 180.194 177.584 -0.026 0.000 1.186 357 A CA 1.839 53.887 52.037 0.019 0.000 0.620 357 A CB -0.727 18.320 19.000 0.079 0.000 0.822 357 A HN 0.271 nan 8.150 nan 0.000 0.443 358 V N 0.220 120.027 119.914 -0.178 0.000 2.282 358 V HA -0.292 3.829 4.120 0.001 0.000 0.249 358 V C 2.654 178.694 176.094 -0.090 0.000 1.057 358 V CA 2.602 64.786 62.300 -0.193 0.000 1.032 358 V CB -0.745 30.845 31.823 -0.388 0.000 0.645 358 V HN 0.759 nan 8.190 nan 0.000 0.447 359 E N 0.425 120.576 120.200 -0.080 0.000 2.077 359 E HA -0.251 4.100 4.350 0.001 0.000 0.193 359 E C 2.064 178.652 176.600 -0.021 0.000 0.989 359 E CA 1.713 58.087 56.400 -0.043 0.000 0.800 359 E CB -0.286 29.394 29.700 -0.033 0.000 0.746 359 E HN 0.598 nan 8.360 nan 0.000 0.452 360 E N 0.065 120.259 120.200 -0.010 0.000 2.072 360 E HA -0.071 4.280 4.350 0.001 0.000 0.191 360 E C 1.853 178.456 176.600 0.004 0.000 0.985 360 E CA 1.492 57.892 56.400 -0.000 0.000 0.801 360 E CB -0.629 29.077 29.700 0.010 0.000 0.750 360 E HN 0.306 nan 8.360 nan 0.000 0.452 361 A N 0.863 123.702 122.820 0.031 0.000 1.917 361 A HA -0.272 4.049 4.320 0.001 0.000 0.219 361 A C 2.095 179.691 177.584 0.020 0.000 1.182 361 A CA 2.089 54.160 52.037 0.056 0.000 0.633 361 A CB -0.515 18.586 19.000 0.168 0.000 0.819 361 A HN 0.247 nan 8.150 nan 0.000 0.448 362 K N -0.287 120.115 120.400 0.003 0.000 2.057 362 K HA -0.149 4.172 4.320 0.001 0.000 0.206 362 K C 2.319 178.912 176.600 -0.012 0.000 1.050 362 K CA 1.746 58.028 56.287 -0.008 0.000 0.935 362 K CB -0.137 32.353 32.500 -0.017 0.000 0.715 362 K HN 0.576 nan 8.250 nan 0.000 0.439 363 K N 0.898 121.290 120.400 -0.013 0.000 2.211 363 K HA -0.076 4.244 4.320 0.001 0.000 0.203 363 K C 1.430 178.017 176.600 -0.021 0.000 1.050 363 K CA 1.399 57.676 56.287 -0.016 0.000 0.945 363 K CB -0.535 31.956 32.500 -0.016 0.000 0.732 363 K HN 0.351 nan 8.250 nan 0.000 0.451 364 E N -0.054 120.131 120.200 -0.024 0.000 2.489 364 E HA 0.204 4.554 4.350 0.001 0.000 0.193 364 E C 0.799 177.380 176.600 -0.031 0.000 1.057 364 E CA 0.311 56.690 56.400 -0.036 0.000 0.866 364 E CB 0.205 29.876 29.700 -0.049 0.000 0.916 364 E HN 0.733 nan 8.360 nan 0.000 0.500 365 G N 0.793 109.581 108.800 -0.020 0.000 2.148 365 G HA2 -0.193 3.767 3.960 0.001 0.000 0.203 365 G HA3 -0.193 3.767 3.960 0.001 0.000 0.203 365 G C 0.407 175.301 174.900 -0.009 0.000 0.993 365 G CA -0.391 44.699 45.100 -0.017 0.000 0.661 365 G HN 0.444 nan 8.290 nan 0.000 0.518 366 G N -0.762 108.038 108.800 -0.000 0.000 2.504 366 G HA2 0.599 4.559 3.960 0.001 0.000 0.288 366 G HA3 0.599 4.559 3.960 0.001 0.000 0.288 366 G C -0.273 174.626 174.900 -0.001 0.000 1.182 366 G CA 0.424 45.528 45.100 0.007 0.000 0.894 366 G HN 0.560 nan 8.290 nan 0.000 0.521 367 T N 0.557 115.106 114.554 -0.008 0.000 2.809 367 T HA 0.317 4.667 4.350 0.001 0.000 0.284 367 T C 0.062 174.748 174.700 -0.023 0.000 0.992 367 T CA -0.295 61.796 62.100 -0.015 0.000 0.957 367 T CB 1.554 70.413 68.868 -0.014 0.000 0.942 367 T HN 0.306 nan 8.240 nan 0.000 0.439 368 V N 5.165 125.062 119.914 -0.027 0.000 2.403 368 V HA 0.030 4.151 4.120 0.001 0.000 0.265 368 V C 1.630 177.704 176.094 -0.032 0.000 1.034 368 V CA 0.160 62.440 62.300 -0.034 0.000 1.036 368 V CB 0.132 31.931 31.823 -0.040 0.000 1.032 368 V HN 0.888 nan 8.190 nan 0.000 0.478 369 V N 2.598 122.495 119.914 -0.028 0.000 3.354 369 V HA 0.318 4.439 4.120 0.001 0.000 0.258 369 V C 0.213 176.329 176.094 0.037 0.000 1.159 369 V CA 0.463 62.754 62.300 -0.015 0.000 1.125 369 V CB -0.628 31.174 31.823 -0.035 0.000 0.774 369 V HN 0.645 nan 8.190 nan 0.000 0.464 370 Y N -0.094 120.148 120.300 -0.097 0.000 2.442 370 Y HA 0.626 5.177 4.550 0.001 0.000 0.330 370 Y C 0.409 176.306 175.900 -0.004 0.000 1.100 370 Y CA 0.213 58.273 58.100 -0.067 0.000 1.034 370 Y CB 1.363 39.741 38.460 -0.138 0.000 1.285 370 Y HN 0.558 nan 8.280 nan 0.000 0.440 371 G N 2.733 111.279 108.800 -0.422 0.000 2.498 371 G HA2 0.234 4.194 3.960 0.001 0.000 0.251 371 G HA3 0.234 4.194 3.960 0.001 0.000 0.251 371 G C 0.818 175.723 174.900 0.009 0.000 1.170 371 G CA 0.733 45.761 45.100 -0.121 0.000 0.944 371 G HN 2.154 nan 8.290 nan 0.000 0.567 372 G N -1.657 107.254 108.800 0.185 0.000 2.213 372 G HA2 -0.126 3.835 3.960 0.001 0.000 0.236 372 G HA3 -0.126 3.835 3.960 0.001 0.000 0.236 372 G C 0.296 175.309 174.900 0.187 0.000 0.991 372 G CA 1.679 46.840 45.100 0.102 0.000 0.629 372 G HN 1.262 nan 8.290 nan 0.000 0.517 373 K N 0.059 120.621 120.400 0.268 0.000 2.295 373 K HA 0.715 5.035 4.320 0.001 0.000 0.239 373 K C 0.186 176.958 176.600 0.285 0.000 0.991 373 K CA -0.966 55.467 56.287 0.242 0.000 0.845 373 K CB 2.722 35.279 32.500 0.094 0.000 1.197 373 K HN 0.030 nan 8.250 nan 0.000 0.441 374 V N 2.486 122.530 119.914 0.217 0.000 2.740 374 V HA 0.052 4.173 4.120 0.001 0.000 0.303 374 V C 0.394 176.537 176.094 0.083 0.000 1.054 374 V CA -0.003 62.372 62.300 0.125 0.000 1.106 374 V CB 0.444 32.334 31.823 0.112 0.000 0.957 374 V HN 0.639 nan 8.190 nan 0.000 0.486 375 M N 3.270 122.916 119.600 0.078 0.000 2.235 375 M HA 0.193 4.673 4.480 0.001 0.000 0.351 375 M C 0.138 176.460 176.300 0.036 0.000 1.178 375 M CA -0.203 55.130 55.300 0.055 0.000 1.143 375 M CB 0.286 32.925 32.600 0.065 0.000 1.530 375 M HN 0.601 nan 8.290 nan 0.000 0.461 376 D N 4.936 125.341 120.400 0.008 0.000 2.508 376 D HA 0.187 4.827 4.640 0.001 0.000 0.224 376 D C -0.649 175.636 176.300 -0.025 0.000 1.171 376 D CA 0.003 54.003 54.000 -0.001 0.000 1.006 376 D CB 0.174 40.972 40.800 -0.004 0.000 1.073 376 D HN 0.578 nan 8.370 nan 0.000 0.513 377 R N 1.127 121.613 120.500 -0.023 0.000 2.709 377 R HA 0.513 4.854 4.340 0.001 0.000 0.270 377 R C -3.086 173.211 176.300 -0.006 0.000 1.038 377 R CA -1.536 54.528 56.100 -0.060 0.000 0.872 377 R CB -0.278 29.912 30.300 -0.182 0.000 1.259 377 R HN -0.067 nan 8.270 nan 0.000 0.473 378 P HA 0.300 nan 4.420 nan 0.000 0.269 378 P C 0.122 177.530 177.300 0.180 0.000 1.215 378 P CA 1.300 64.439 63.100 0.066 0.000 0.780 378 P CB 0.575 32.309 31.700 0.057 0.000 0.898 379 G N 1.879 110.785 108.800 0.177 0.000 2.728 379 G HA2 -0.187 3.774 3.960 0.001 0.000 0.294 379 G HA3 -0.187 3.774 3.960 0.001 0.000 0.294 379 G C -0.511 174.475 174.900 0.143 0.000 1.342 379 G CA -0.748 44.468 45.100 0.193 0.000 0.866 379 G HN 0.543 nan 8.290 nan 0.000 0.534 380 N N 0.532 119.197 118.700 -0.058 0.000 3.052 380 N HA 0.273 5.013 4.740 0.001 0.000 0.302 380 N C -0.604 174.782 175.510 -0.207 0.000 1.332 380 N CA 0.199 53.178 53.050 -0.119 0.000 1.129 380 N CB -0.030 38.354 38.487 -0.172 0.000 1.436 380 N HN 0.431 nan 8.380 nan 0.000 0.536 381 Y N 0.137 120.392 120.300 -0.075 0.000 2.316 381 Y HA 0.300 4.851 4.550 0.001 0.000 0.331 381 Y C 0.992 176.842 175.900 -0.083 0.000 1.083 381 Y CA -0.848 57.210 58.100 -0.070 0.000 1.206 381 Y CB 1.074 39.523 38.460 -0.018 0.000 1.195 381 Y HN -0.023 nan 8.280 nan 0.000 0.497 382 V N -0.388 119.520 119.914 -0.010 0.000 2.914 382 V HA 0.551 4.672 4.120 0.001 0.000 0.314 382 V C -0.623 175.449 176.094 -0.037 0.000 1.084 382 V CA -1.456 60.718 62.300 -0.210 0.000 0.963 382 V CB 1.930 33.176 31.823 -0.961 0.000 1.025 382 V HN 0.722 nan 8.190 nan 0.000 0.432 383 E N 4.129 124.320 120.200 -0.015 0.000 2.344 383 E HA 0.286 4.637 4.350 0.001 0.000 0.270 383 E C -2.418 174.248 176.600 0.110 0.000 1.021 383 E CA -1.543 54.899 56.400 0.069 0.000 0.887 383 E CB 0.766 30.531 29.700 0.108 0.000 0.997 383 E HN 0.657 nan 8.360 nan 0.000 0.429 384 P HA 0.002 nan 4.420 nan 0.000 0.271 384 P C -0.760 176.802 177.300 0.438 0.000 1.216 384 P CA -0.086 63.083 63.100 0.115 0.000 0.776 384 P CB 0.905 32.423 31.700 -0.303 0.000 0.881 385 T N 3.559 118.369 114.554 0.427 0.000 2.861 385 T HA 0.593 4.944 4.350 0.001 0.000 0.287 385 T C -0.010 174.769 174.700 0.131 0.000 1.003 385 T CA -0.344 61.948 62.100 0.321 0.000 0.977 385 T CB 0.791 69.825 68.868 0.276 0.000 0.996 385 T HN 0.219 nan 8.240 nan 0.000 0.448 386 I N 2.533 123.110 120.570 0.011 0.000 2.418 386 I HA 0.510 4.681 4.170 0.001 0.000 0.287 386 I C -0.772 175.268 176.117 -0.127 0.000 1.008 386 I CA -1.051 60.156 61.300 -0.155 0.000 1.104 386 I CB 1.915 39.730 38.000 -0.309 0.000 1.264 386 I HN 0.247 nan 8.210 nan 0.000 0.438 387 V N 4.801 124.615 119.914 -0.168 0.000 2.409 387 V HA 0.451 4.571 4.120 0.001 0.000 0.291 387 V C 0.333 176.355 176.094 -0.119 0.000 1.020 387 V CA -0.485 61.756 62.300 -0.099 0.000 0.848 387 V CB 1.798 33.612 31.823 -0.015 0.000 0.990 387 V HN 0.870 nan 8.190 nan 0.000 0.430 388 T N 0.730 115.235 114.554 -0.082 0.000 2.936 388 T HA 0.715 5.065 4.350 0.001 0.000 0.282 388 T C 1.042 175.715 174.700 -0.045 0.000 1.003 388 T CA 0.209 62.268 62.100 -0.069 0.000 1.005 388 T CB 1.686 70.557 68.868 0.004 0.000 1.097 388 T HN 1.689 nan 8.240 nan 0.000 0.532 389 G N 0.178 108.956 108.800 -0.035 0.000 2.217 389 G HA2 -0.203 3.758 3.960 0.001 0.000 0.246 389 G HA3 -0.203 3.758 3.960 0.001 0.000 0.246 389 G C 0.038 174.945 174.900 0.012 0.000 0.990 389 G CA 0.060 45.155 45.100 -0.009 0.000 0.627 389 G HN 0.863 nan 8.290 nan 0.000 0.522 390 L N 1.355 122.588 121.223 0.017 0.000 2.452 390 L HA 0.514 4.855 4.340 0.001 0.000 0.267 390 L C 1.612 178.591 176.870 0.183 0.000 1.188 390 L CA 0.034 54.922 54.840 0.080 0.000 0.821 390 L CB 0.547 42.669 42.059 0.105 0.000 1.102 390 L HN 0.249 nan 8.230 nan 0.000 0.470 391 G N -0.699 108.127 108.800 0.043 0.000 2.442 391 G HA2 0.059 4.020 3.960 0.001 0.000 0.249 391 G HA3 0.059 4.020 3.960 0.001 0.000 0.249 391 G C 0.805 175.613 174.900 -0.154 0.000 1.263 391 G CA -0.060 44.981 45.100 -0.098 0.000 0.846 391 G HN 0.990 nan 8.290 nan 0.000 0.555 392 H N 0.157 118.962 119.070 -0.441 0.000 2.466 392 H HA -0.177 4.379 4.556 0.001 0.000 0.297 392 H C 1.314 176.392 175.328 -0.417 0.000 1.113 392 H CA 1.779 57.290 56.048 -0.895 0.000 1.273 392 H CB 0.168 29.287 29.762 -1.071 0.000 1.371 392 H HN 0.472 nan 8.280 nan 0.000 0.528 393 D N 0.669 120.583 120.400 -0.809 0.000 2.342 393 D HA 0.208 4.849 4.640 0.001 0.000 0.221 393 D C 0.544 176.494 176.300 -0.584 0.000 1.101 393 D CA 0.117 53.708 54.000 -0.681 0.000 0.837 393 D CB -0.532 39.868 40.800 -0.666 0.000 0.938 393 D HN 0.633 nan 8.370 nan 0.000 0.508 394 A N 0.431 123.033 122.820 -0.363 0.000 2.540 394 A HA 0.162 4.482 4.320 0.001 0.000 0.239 394 A C 1.684 179.116 177.584 -0.254 0.000 1.061 394 A CA 0.343 52.231 52.037 -0.247 0.000 0.758 394 A CB 0.395 19.309 19.000 -0.144 0.000 0.991 394 A HN 0.171 nan 8.150 nan 0.000 0.502 395 S N 1.735 117.313 115.700 -0.202 0.000 2.374 395 S HA -0.200 4.271 4.470 0.001 0.000 0.227 395 S C 1.770 176.328 174.600 -0.070 0.000 1.037 395 S CA 1.948 60.067 58.200 -0.134 0.000 1.024 395 S CB -0.452 62.695 63.200 -0.089 0.000 0.861 395 S HN 0.780 nan 8.310 nan 0.000 0.456 396 I N 1.700 122.207 120.570 -0.104 0.000 2.394 396 I HA 0.058 4.229 4.170 0.001 0.000 0.251 396 I C 2.274 178.242 176.117 -0.248 0.000 1.136 396 I CA 1.224 62.457 61.300 -0.112 0.000 1.425 396 I CB -0.834 37.110 38.000 -0.093 0.000 1.079 396 I HN 0.315 nan 8.210 nan 0.000 0.425 397 A N -1.242 121.360 122.820 -0.365 0.000 2.067 397 A HA -0.186 4.134 4.320 0.001 0.000 0.219 397 A C 2.122 179.752 177.584 0.077 0.000 1.158 397 A CA 1.388 53.224 52.037 -0.334 0.000 0.661 397 A CB -1.017 17.942 19.000 -0.069 0.000 0.801 397 A HN 0.638 nan 8.150 nan 0.000 0.452 398 H N -1.085 117.941 119.070 -0.074 0.000 2.553 398 H HA 0.063 4.620 4.556 0.001 0.000 0.265 398 H C -0.124 175.220 175.328 0.026 0.000 0.964 398 H CA 0.386 56.428 56.048 -0.010 0.000 1.156 398 H CB 0.383 30.125 29.762 -0.032 0.000 1.411 398 H HN 0.344 nan 8.280 nan 0.000 0.558 399 T N 0.956 115.594 114.554 0.140 0.000 2.882 399 T HA 0.051 4.401 4.350 0.001 0.000 0.287 399 T C 0.201 175.009 174.700 0.180 0.000 0.992 399 T CA -0.582 61.599 62.100 0.136 0.000 1.076 399 T CB 2.332 71.269 68.868 0.114 0.000 0.961 399 T HN 0.262 nan 8.240 nan 0.000 0.490 400 E N 2.355 122.669 120.200 0.190 0.000 2.070 400 E HA 0.160 4.511 4.350 0.001 0.000 0.282 400 E C -0.753 176.012 176.600 0.275 0.000 1.104 400 E CA -0.304 56.245 56.400 0.248 0.000 0.876 400 E CB 0.316 30.164 29.700 0.246 0.000 1.055 400 E HN 0.467 nan 8.360 nan 0.000 0.401 401 T N 5.447 120.184 114.554 0.305 0.000 2.743 401 T HA 0.173 4.523 4.350 0.001 0.000 0.292 401 T C -0.405 174.510 174.700 0.359 0.000 0.972 401 T CA -0.431 61.854 62.100 0.308 0.000 0.967 401 T CB 0.121 69.152 68.868 0.273 0.000 0.926 401 T HN 0.315 nan 8.240 nan 0.000 0.459 402 F N 4.266 124.332 119.950 0.193 0.000 2.661 402 F HA 0.530 5.057 4.527 0.001 0.000 0.356 402 F C 0.607 176.524 175.800 0.195 0.000 1.244 402 F CA -0.679 57.438 58.000 0.195 0.000 1.290 402 F CB -0.962 38.171 39.000 0.221 0.000 1.677 402 F HN 0.721 nan 8.300 nan 0.000 0.649 403 A N 3.912 126.781 122.820 0.080 0.000 2.586 403 A HA 0.599 4.920 4.320 0.001 0.000 0.291 403 A C -2.899 174.745 177.584 0.100 0.000 1.062 403 A CA -1.187 50.917 52.037 0.112 0.000 0.666 403 A CB 1.117 20.305 19.000 0.315 0.000 1.281 403 A HN 0.084 nan 8.150 nan 0.000 0.421 404 P HA 0.429 nan 4.420 nan 0.000 0.238 404 P C -1.028 176.388 177.300 0.193 0.000 1.794 404 P CA 0.481 63.647 63.100 0.110 0.000 1.088 404 P CB -0.606 31.161 31.700 0.112 0.000 1.923 405 I N 3.341 123.964 120.570 0.088 0.000 2.418 405 I HA 0.320 4.490 4.170 0.001 0.000 0.287 405 I C -0.301 175.632 176.117 -0.305 0.000 1.008 405 I CA -1.113 60.126 61.300 -0.102 0.000 1.104 405 I CB 2.347 40.225 38.000 -0.204 0.000 1.264 405 I HN 0.026 nan 8.210 nan 0.000 0.438 406 L N 8.000 129.038 121.223 -0.309 0.000 2.305 406 L HA 0.506 4.847 4.340 0.001 0.000 0.284 406 L C -1.390 175.226 176.870 -0.423 0.000 1.013 406 L CA -0.220 54.463 54.840 -0.262 0.000 0.819 406 L CB 0.723 42.741 42.059 -0.069 0.000 1.227 406 L HN 0.272 nan 8.230 nan 0.000 0.417 407 Y N 4.414 124.649 120.300 -0.109 0.000 2.326 407 Y HA 0.554 5.105 4.550 0.001 0.000 0.337 407 Y C 0.094 175.594 175.900 -0.667 0.000 1.023 407 Y CA -0.654 57.238 58.100 -0.346 0.000 1.143 407 Y CB 1.384 39.720 38.460 -0.207 0.000 1.183 407 Y HN 0.295 nan 8.280 nan 0.000 0.485 408 V N 5.142 124.670 119.914 -0.642 0.000 2.483 408 V HA 0.492 4.612 4.120 0.001 0.000 0.295 408 V C -0.664 174.962 176.094 -0.780 0.000 1.035 408 V CA -1.047 60.923 62.300 -0.549 0.000 0.896 408 V CB 0.918 32.589 31.823 -0.254 0.000 0.986 408 V HN 0.479 nan 8.190 nan 0.000 0.447 409 F N 1.905 121.854 119.950 -0.002 0.000 2.576 409 F HA 0.594 5.122 4.527 0.001 0.000 0.313 409 F C 0.245 176.217 175.800 0.288 0.000 1.078 409 F CA -1.046 56.996 58.000 0.071 0.000 0.921 409 F CB 1.796 40.742 39.000 -0.090 0.000 1.232 409 F HN 0.259 nan 8.300 nan 0.000 0.459 410 K N 2.005 122.642 120.400 0.395 0.000 2.154 410 K HA 0.662 4.982 4.320 0.001 0.000 0.264 410 K C -1.059 175.879 176.600 0.564 0.000 1.008 410 K CA -0.475 55.983 56.287 0.284 0.000 0.937 410 K CB 1.167 33.640 32.500 -0.045 0.000 1.002 410 K HN 0.596 nan 8.250 nan 0.000 0.469 411 F N -1.780 118.305 119.950 0.224 0.000 2.685 411 F HA 0.314 4.842 4.527 0.001 0.000 0.315 411 F C 0.244 175.982 175.800 -0.103 0.000 1.126 411 F CA -0.821 57.284 58.000 0.174 0.000 0.950 411 F CB 1.321 40.412 39.000 0.152 0.000 1.360 411 F HN 0.385 nan 8.300 nan 0.000 0.469 412 Q N 0.434 120.240 119.800 0.010 0.000 2.606 412 Q HA 0.195 4.535 4.340 0.001 0.000 0.215 412 Q C -0.623 175.503 176.000 0.210 0.000 0.908 412 Q CA 0.359 56.100 55.803 -0.104 0.000 0.908 412 Q CB 0.406 29.130 28.738 -0.024 0.000 1.120 412 Q HN 0.805 nan 8.270 nan 0.000 0.628 413 N N -0.620 118.213 118.700 0.221 0.000 2.362 413 N HA 0.080 4.821 4.740 0.001 0.000 0.299 413 N C 0.114 175.669 175.510 0.075 0.000 1.170 413 N CA -0.519 52.628 53.050 0.162 0.000 0.825 413 N CB 1.107 39.604 38.487 0.016 0.000 1.299 413 N HN 0.002 nan 8.380 nan 0.000 0.502 414 E N 0.126 120.340 120.200 0.024 0.000 2.072 414 E HA -0.297 4.054 4.350 0.001 0.000 0.191 414 E C 1.202 177.447 176.600 -0.593 0.000 0.985 414 E CA 1.074 57.330 56.400 -0.241 0.000 0.801 414 E CB 0.024 29.517 29.700 -0.345 0.000 0.750 414 E HN 0.805 nan 8.360 nan 0.000 0.452 415 E N 0.696 120.658 120.200 -0.397 0.000 2.051 415 E HA -0.262 4.089 4.350 0.001 0.000 0.192 415 E C 2.112 178.488 176.600 -0.373 0.000 0.991 415 E CA 1.714 57.916 56.400 -0.330 0.000 0.799 415 E CB -0.124 29.461 29.700 -0.192 0.000 0.748 415 E HN 0.491 nan 8.360 nan 0.000 0.449 416 E N 0.157 120.064 120.200 -0.488 0.000 2.072 416 E HA -0.164 4.186 4.350 0.001 0.000 0.191 416 E C 2.217 178.024 176.600 -1.321 0.000 0.985 416 E CA 1.332 57.217 56.400 -0.858 0.000 0.801 416 E CB -0.380 28.781 29.700 -0.899 0.000 0.750 416 E HN 0.220 nan 8.360 nan 0.000 0.452 417 V N 0.107 119.393 119.914 -1.045 0.000 2.548 417 V HA -0.153 3.968 4.120 0.001 0.000 0.249 417 V C 1.807 177.638 176.094 -0.438 0.000 1.055 417 V CA 1.160 62.858 62.300 -1.002 0.000 1.065 417 V CB -0.581 30.423 31.823 -1.365 0.000 0.681 417 V HN 0.235 nan 8.190 nan 0.000 0.462 418 F N 1.172 120.893 119.950 -0.382 0.000 2.134 418 F HA -0.066 4.462 4.527 0.001 0.000 0.299 418 F C 2.560 178.280 175.800 -0.133 0.000 1.097 418 F CA 1.090 59.032 58.000 -0.096 0.000 1.264 418 F CB -1.700 37.323 39.000 0.039 0.000 1.001 418 F HN 0.257 nan 8.300 nan 0.000 0.479 419 A N -0.235 122.569 122.820 -0.027 0.000 1.908 419 A HA -0.201 4.119 4.320 0.001 0.000 0.218 419 A C 2.084 179.704 177.584 0.060 0.000 1.181 419 A CA 1.605 53.630 52.037 -0.021 0.000 0.627 419 A CB -1.299 17.654 19.000 -0.078 0.000 0.818 419 A HN 0.438 nan 8.150 nan 0.000 0.445 420 W N 0.064 121.214 121.300 -0.250 0.000 2.388 420 W HA -0.111 4.549 4.660 0.001 0.000 0.294 420 W C 2.067 178.423 176.519 -0.271 0.000 1.212 420 W CA 0.680 57.821 57.345 -0.341 0.000 1.271 420 W CB -1.502 27.579 29.460 -0.632 0.000 1.126 420 W HN 0.599 nan 8.180 nan 0.000 0.535 421 N N 0.918 119.550 118.700 -0.112 0.000 2.061 421 N HA -0.209 4.532 4.740 0.001 0.000 0.193 421 N C 1.254 176.792 175.510 0.047 0.000 1.030 421 N CA 1.998 55.062 53.050 0.023 0.000 0.856 421 N CB -0.443 38.114 38.487 0.116 0.000 1.023 421 N HN -0.126 nan 8.380 nan 0.000 0.424 422 N N 0.110 118.826 118.700 0.027 0.000 2.463 422 N HA -0.069 4.671 4.740 0.001 0.000 0.181 422 N C 0.914 176.430 175.510 0.009 0.000 1.078 422 N CA 0.605 53.656 53.050 0.000 0.000 0.902 422 N CB -0.128 38.355 38.487 -0.007 0.000 0.970 422 N HN 0.693 nan 8.380 nan 0.000 0.451 423 E N 0.210 120.436 120.200 0.042 0.000 2.358 423 E HA -0.039 4.312 4.350 0.001 0.000 0.195 423 E C 0.795 177.379 176.600 -0.027 0.000 1.010 423 E CA 0.121 56.564 56.400 0.071 0.000 0.856 423 E CB -0.084 29.738 29.700 0.203 0.000 0.795 423 E HN 0.095 nan 8.360 nan 0.000 0.504 424 V N -0.725 119.078 119.914 -0.184 0.000 3.264 424 V HA 0.114 4.235 4.120 0.001 0.000 0.304 424 V C 1.033 177.022 176.094 -0.175 0.000 1.086 424 V CA -0.745 61.364 62.300 -0.318 0.000 1.090 424 V CB 1.434 33.037 31.823 -0.367 0.000 1.112 424 V HN -0.072 nan 8.190 nan 0.000 0.472 425 K N 0.039 120.309 120.400 -0.217 0.000 2.305 425 K HA 0.095 4.416 4.320 0.001 0.000 0.199 425 K C 0.829 177.299 176.600 -0.216 0.000 1.047 425 K CA 0.687 56.751 56.287 -0.371 0.000 0.976 425 K CB -0.202 31.802 32.500 -0.826 0.000 0.765 425 K HN 0.851 nan 8.250 nan 0.000 0.474 426 Q N -0.497 119.249 119.800 -0.091 0.000 2.368 426 Q HA 0.396 4.737 4.340 0.001 0.000 0.237 426 Q C 0.622 176.621 176.000 -0.002 0.000 0.987 426 Q CA 0.294 56.103 55.803 0.009 0.000 0.896 426 Q CB 0.938 29.706 28.738 0.049 0.000 1.241 426 Q HN 0.253 nan 8.270 nan 0.000 0.485 427 G N 0.516 109.321 108.800 0.008 0.000 5.102 427 G HA2 0.234 4.194 3.960 0.001 0.000 0.212 427 G HA3 0.234 4.194 3.960 0.001 0.000 0.212 427 G C -0.506 174.363 174.900 -0.051 0.000 0.832 427 G CA -0.213 44.870 45.100 -0.028 0.000 0.718 427 G HN 0.435 nan 8.290 nan 0.000 0.506 428 L N 0.082 121.289 121.223 -0.028 0.000 2.121 428 L HA 0.625 4.965 4.340 0.001 0.000 0.200 428 L C 0.964 177.783 176.870 -0.085 0.000 1.132 428 L CA 1.212 56.009 54.840 -0.071 0.000 0.782 428 L CB 0.053 42.104 42.059 -0.013 0.000 0.940 428 L HN 0.177 nan 8.230 nan 0.000 0.458 429 S N -1.485 114.215 115.700 -0.000 0.000 2.634 429 S HA 0.807 5.278 4.470 0.001 0.000 0.296 429 S C -1.022 173.639 174.600 0.102 0.000 1.104 429 S CA -0.014 58.206 58.200 0.034 0.000 0.920 429 S CB 1.186 64.438 63.200 0.087 0.000 1.111 429 S HN 0.680 nan 8.310 nan 0.000 0.493 430 S N 0.811 116.601 115.700 0.151 0.000 2.558 430 S HA 0.709 5.179 4.470 0.001 0.000 0.277 430 S C -1.196 173.651 174.600 0.412 0.000 1.143 430 S CA -0.690 57.688 58.200 0.298 0.000 0.865 430 S CB 1.205 64.558 63.200 0.254 0.000 1.102 430 S HN 0.787 nan 8.310 nan 0.000 0.454 431 S N 1.215 117.185 115.700 0.451 0.000 2.546 431 S HA 0.701 5.172 4.470 0.001 0.000 0.272 431 S C -0.954 173.678 174.600 0.054 0.000 1.140 431 S CA -0.957 57.421 58.200 0.297 0.000 0.920 431 S CB 0.733 64.091 63.200 0.262 0.000 1.083 431 S HN 1.304 nan 8.310 nan 0.000 0.476 432 I N 0.905 121.286 120.570 -0.315 0.000 2.562 432 I HA 0.725 4.895 4.170 0.001 0.000 0.301 432 I C -1.578 174.416 176.117 -0.205 0.000 1.003 432 I CA -0.940 60.169 61.300 -0.318 0.000 1.127 432 I CB 1.444 39.007 38.000 -0.729 0.000 1.304 432 I HN 0.506 nan 8.210 nan 0.000 0.446 433 F N 3.490 123.484 119.950 0.074 0.000 2.402 433 F HA 0.683 5.210 4.527 0.001 0.000 0.355 433 F C 0.376 176.275 175.800 0.164 0.000 1.123 433 F CA -0.404 57.655 58.000 0.099 0.000 1.021 433 F CB 2.005 41.071 39.000 0.110 0.000 1.160 433 F HN 0.679 nan 8.300 nan 0.000 0.451 434 T N 1.796 116.440 114.554 0.150 0.000 2.775 434 T HA 0.260 4.611 4.350 0.001 0.000 0.320 434 T C -0.117 174.591 174.700 0.013 0.000 1.597 434 T CA -0.741 61.408 62.100 0.083 0.000 1.022 434 T CB 1.559 70.369 68.868 -0.096 0.000 1.485 434 T HN 0.662 nan 8.240 nan 0.000 0.494 435 K N 0.527 120.932 120.400 0.008 0.000 2.355 435 K HA 0.175 4.496 4.320 0.001 0.000 0.198 435 K C 0.091 176.681 176.600 -0.016 0.000 1.039 435 K CA -0.331 55.957 56.287 0.001 0.000 1.075 435 K CB 0.422 32.933 32.500 0.019 0.000 0.870 435 K HN 0.465 nan 8.250 nan 0.000 0.540 436 D N 1.897 122.267 120.400 -0.050 0.000 2.339 436 D HA -0.025 4.616 4.640 0.001 0.000 0.256 436 D C 0.926 177.217 176.300 -0.016 0.000 1.214 436 D CA -0.103 53.868 54.000 -0.049 0.000 0.877 436 D CB 1.226 41.964 40.800 -0.103 0.000 1.111 436 D HN -0.072 nan 8.370 nan 0.000 0.478 437 L N 5.575 126.819 121.223 0.035 0.000 1.989 437 L HA -0.027 4.314 4.340 0.001 0.000 0.211 437 L C 2.187 179.172 176.870 0.193 0.000 1.071 437 L CA 2.483 57.397 54.840 0.123 0.000 0.749 437 L CB -0.784 41.345 42.059 0.118 0.000 0.890 437 L HN 0.587 nan 8.230 nan 0.000 0.431 438 G N -0.998 107.867 108.800 0.109 0.000 2.418 438 G HA2 -0.318 3.642 3.960 0.001 0.000 0.217 438 G HA3 -0.318 3.642 3.960 0.001 0.000 0.217 438 G C 1.794 176.766 174.900 0.119 0.000 1.158 438 G CA 0.784 45.953 45.100 0.115 0.000 0.771 438 G HN 0.440 nan 8.290 nan 0.000 0.545 439 R N 0.075 120.591 120.500 0.027 0.000 2.091 439 R HA -0.000 4.340 4.340 0.001 0.000 0.238 439 R C 2.538 178.892 176.300 0.090 0.000 1.136 439 R CA 1.223 57.317 56.100 -0.010 0.000 0.959 439 R CB -0.341 29.812 30.300 -0.244 0.000 0.856 439 R HN 0.431 nan 8.270 nan 0.000 0.437 440 I N -0.003 120.586 120.570 0.032 0.000 2.163 440 I HA -0.295 3.875 4.170 0.001 0.000 0.243 440 I C 1.827 177.942 176.117 -0.004 0.000 1.085 440 I CA 1.474 62.766 61.300 -0.013 0.000 1.347 440 I CB -0.279 37.648 38.000 -0.121 0.000 1.044 440 I HN 0.144 nan 8.210 nan 0.000 0.408 441 F N 0.756 120.753 119.950 0.077 0.000 2.259 441 F HA -0.089 4.438 4.527 0.001 0.000 0.298 441 F C 2.637 178.490 175.800 0.088 0.000 1.088 441 F CA 1.112 59.151 58.000 0.064 0.000 1.358 441 F CB -0.375 38.643 39.000 0.031 0.000 1.040 441 F HN -0.117 nan 8.300 nan 0.000 0.505 442 R N -0.580 120.089 120.500 0.281 0.000 2.081 442 R HA -0.243 4.098 4.340 0.001 0.000 0.235 442 R C 2.265 178.744 176.300 0.298 0.000 1.131 442 R CA 1.619 57.882 56.100 0.271 0.000 0.960 442 R CB -1.019 29.450 30.300 0.283 0.000 0.856 442 R HN 0.493 nan 8.270 nan 0.000 0.436 443 W N 1.699 123.033 121.300 0.056 0.000 2.325 443 W HA -0.202 4.459 4.660 0.001 0.000 0.299 443 W C 1.090 177.472 176.519 -0.229 0.000 1.215 443 W CA 1.232 58.414 57.345 -0.271 0.000 1.244 443 W CB -0.011 29.280 29.460 -0.281 0.000 1.140 443 W HN 0.118 nan 8.180 nan 0.000 0.523 444 L N 0.216 121.379 121.223 -0.100 0.000 2.554 444 L HA 0.163 4.504 4.340 0.001 0.000 0.226 444 L C 1.520 178.313 176.870 -0.128 0.000 1.137 444 L CA 0.330 55.047 54.840 -0.205 0.000 0.863 444 L CB -0.937 41.033 42.059 -0.148 0.000 0.985 444 L HN -0.128 nan 8.230 nan 0.000 0.451 445 G N -0.165 108.605 108.800 -0.051 0.000 2.583 445 G HA2 0.286 4.247 3.960 0.001 0.000 0.280 445 G HA3 0.286 4.247 3.960 0.001 0.000 0.280 445 G C -1.772 173.100 174.900 -0.048 0.000 1.376 445 G CA -0.528 44.564 45.100 -0.012 0.000 1.043 445 G HN -0.116 nan 8.290 nan 0.000 0.538 446 P HA 0.055 nan 4.420 nan 0.000 0.229 446 P C 0.689 177.979 177.300 -0.017 0.000 1.160 446 P CA 0.820 63.902 63.100 -0.029 0.000 0.777 446 P CB 0.367 32.060 31.700 -0.012 0.000 0.814 447 K N -0.100 120.314 120.400 0.024 0.000 2.397 447 K HA 0.305 4.625 4.320 0.001 0.000 0.202 447 K C 1.270 177.948 176.600 0.129 0.000 1.022 447 K CA -0.014 56.315 56.287 0.070 0.000 1.141 447 K CB 0.487 33.044 32.500 0.095 0.000 0.857 447 K HN 0.119 nan 8.250 nan 0.000 0.514 448 G N 0.593 109.384 108.800 -0.014 0.000 2.945 448 G HA2 0.067 4.028 3.960 0.001 0.000 0.156 448 G HA3 0.067 4.028 3.960 0.001 0.000 0.156 448 G C -0.483 174.133 174.900 -0.474 0.000 1.375 448 G CA -0.364 44.603 45.100 -0.221 0.000 1.039 448 G HN 0.119 nan 8.290 nan 0.000 0.586 449 S N 0.182 115.271 115.700 -1.019 0.000 2.549 449 S HA 0.114 4.584 4.470 0.001 0.000 0.286 449 S C 0.871 175.142 174.600 -0.548 0.000 1.314 449 S CA 0.386 57.966 58.200 -1.034 0.000 1.062 449 S CB 0.624 62.769 63.200 -1.758 0.000 0.865 449 S HN 0.560 nan 8.310 nan 0.000 0.498 450 D N 2.664 122.859 120.400 -0.343 0.000 2.340 450 D HA 0.117 4.758 4.640 0.001 0.000 0.217 450 D C 0.366 176.546 176.300 -0.200 0.000 1.081 450 D CA -0.226 53.642 54.000 -0.220 0.000 0.842 450 D CB -0.823 39.898 40.800 -0.132 0.000 0.934 450 D HN 0.304 nan 8.370 nan 0.000 0.511 451 C N -0.163 118.987 119.300 -0.249 0.000 2.403 451 C HA 0.646 5.107 4.460 0.001 0.000 0.361 451 C C 2.285 177.153 174.990 -0.203 0.000 1.274 451 C CA -0.169 58.735 59.018 -0.190 0.000 2.433 451 C CB 1.019 28.662 27.740 -0.161 0.000 2.323 451 C HN 0.447 nan 8.230 nan 0.000 0.614 452 G N 0.252 108.942 108.800 -0.183 0.000 2.448 452 G HA2 0.083 4.043 3.960 0.001 0.000 0.218 452 G HA3 0.083 4.043 3.960 0.001 0.000 0.218 452 G C 0.340 175.112 174.900 -0.214 0.000 1.135 452 G CA 0.640 45.617 45.100 -0.205 0.000 0.784 452 G HN 0.696 nan 8.290 nan 0.000 0.543 453 I N 0.907 121.360 120.570 -0.196 0.000 2.410 453 I HA 0.359 4.530 4.170 0.001 0.000 0.286 453 I C -1.147 174.897 176.117 -0.121 0.000 1.009 453 I CA -0.695 60.520 61.300 -0.143 0.000 1.111 453 I CB 2.729 40.666 38.000 -0.105 0.000 1.262 453 I HN -0.298 nan 8.210 nan 0.000 0.443 454 V N 5.953 125.785 119.914 -0.137 0.000 2.385 454 V HA 0.403 4.523 4.120 0.001 0.000 0.277 454 V C -0.479 175.614 176.094 -0.002 0.000 1.012 454 V CA -0.638 61.548 62.300 -0.190 0.000 0.832 454 V CB 1.129 32.673 31.823 -0.465 0.000 1.028 454 V HN 0.638 nan 8.190 nan 0.000 0.436 455 N N 2.519 121.334 118.700 0.192 0.000 2.404 455 N HA 0.756 5.497 4.740 0.001 0.000 0.297 455 N C -0.900 174.692 175.510 0.136 0.000 1.163 455 N CA -0.448 52.680 53.050 0.130 0.000 0.864 455 N CB 2.571 41.108 38.487 0.083 0.000 1.247 455 N HN 0.311 nan 8.380 nan 0.000 0.510 456 V N 2.293 122.175 119.914 -0.053 0.000 2.482 456 V HA 0.316 4.436 4.120 0.001 0.000 0.295 456 V C -0.137 175.745 176.094 -0.353 0.000 1.026 456 V CA -0.782 61.397 62.300 -0.201 0.000 0.856 456 V CB 1.175 32.921 31.823 -0.128 0.000 1.001 456 V HN 0.701 nan 8.190 nan 0.000 0.424 457 N N 2.459 120.708 118.700 -0.751 0.000 2.741 457 N HA -0.197 4.544 4.740 0.001 0.000 0.251 457 N C -0.558 174.663 175.510 -0.482 0.000 1.112 457 N CA 1.427 53.974 53.050 -0.838 0.000 0.750 457 N CB -0.630 37.696 38.487 -0.269 0.000 1.119 457 N HN 0.786 nan 8.380 nan 0.000 0.561 458 I N -0.871 119.432 120.570 -0.445 0.000 2.722 458 I HA 0.466 4.637 4.170 0.001 0.000 0.295 458 I C -2.426 173.767 176.117 0.126 0.000 1.161 458 I CA -1.945 59.349 61.300 -0.010 0.000 1.032 458 I CB 2.844 40.849 38.000 0.008 0.000 1.244 458 I HN -0.263 nan 8.210 nan 0.000 0.421 459 P HA 0.170 nan 4.420 nan 0.000 0.297 459 P C 0.452 177.925 177.300 0.288 0.000 1.303 459 P CA 0.130 63.478 63.100 0.414 0.000 0.753 459 P CB 0.215 32.176 31.700 0.436 0.000 1.281 460 T N -4.319 110.401 114.554 0.277 0.000 2.995 460 T HA -0.033 4.317 4.350 0.001 0.000 0.269 460 T C 1.539 176.367 174.700 0.213 0.000 1.091 460 T CA 0.984 63.221 62.100 0.228 0.000 1.128 460 T CB -1.205 67.793 68.868 0.218 0.000 0.891 460 T HN 0.243 nan 8.240 nan 0.000 0.492 461 S N 1.143 116.984 115.700 0.235 0.000 2.603 461 S HA 0.300 4.771 4.470 0.001 0.000 0.220 461 S C 1.275 176.019 174.600 0.240 0.000 0.967 461 S CA -0.127 58.218 58.200 0.242 0.000 0.920 461 S CB -0.256 63.091 63.200 0.245 0.000 0.773 461 S HN 0.777 nan 8.310 nan 0.000 0.529 462 G N 1.606 110.532 108.800 0.211 0.000 2.389 462 G HA2 0.546 4.507 3.960 0.001 0.000 0.287 462 G HA3 0.546 4.507 3.960 0.001 0.000 0.287 462 G C -0.336 174.635 174.900 0.119 0.000 1.126 462 G CA 0.112 45.304 45.100 0.153 0.000 1.073 462 G HN 0.455 nan 8.290 nan 0.000 0.429 463 A N 3.019 125.896 122.820 0.095 0.000 2.612 463 A HA 0.891 5.212 4.320 0.001 0.000 0.293 463 A C -0.581 176.998 177.584 -0.007 0.000 1.075 463 A CA -0.844 51.228 52.037 0.058 0.000 0.680 463 A CB 1.608 20.688 19.000 0.134 0.000 1.279 463 A HN 0.872 nan 8.150 nan 0.000 0.411 464 E N 0.374 120.537 120.200 -0.062 0.000 2.449 464 E HA 0.514 4.865 4.350 0.001 0.000 0.278 464 E C -0.402 176.081 176.600 -0.196 0.000 0.992 464 E CA -0.999 55.343 56.400 -0.097 0.000 0.807 464 E CB 0.594 30.257 29.700 -0.062 0.000 1.350 464 E HN 0.192 nan 8.360 nan 0.000 0.462 465 I N 1.228 121.664 120.570 -0.223 0.000 2.194 465 I HA -0.173 3.998 4.170 0.001 0.000 0.246 465 I C 2.218 178.029 176.117 -0.510 0.000 1.093 465 I CA 2.256 63.332 61.300 -0.373 0.000 1.355 465 I CB -1.606 36.200 38.000 -0.323 0.000 1.046 465 I HN 0.915 nan 8.210 nan 0.000 0.413 466 G N -0.137 108.432 108.800 -0.385 0.000 2.509 466 G HA2 0.035 3.996 3.960 0.001 0.000 0.218 466 G HA3 0.035 3.996 3.960 0.001 0.000 0.218 466 G C 0.942 175.733 174.900 -0.181 0.000 1.124 466 G CA 0.665 45.566 45.100 -0.333 0.000 0.776 466 G HN 0.533 nan 8.290 nan 0.000 0.547 467 G N -0.850 107.848 108.800 -0.169 0.000 2.434 467 G HA2 0.599 4.559 3.960 0.001 0.000 0.330 467 G HA3 0.599 4.559 3.960 0.001 0.000 0.330 467 G C -0.228 174.596 174.900 -0.127 0.000 1.155 467 G CA 0.037 45.072 45.100 -0.109 0.000 0.917 467 G HN 0.429 nan 8.290 nan 0.000 0.493 468 A N 0.167 122.934 122.820 -0.089 0.000 2.440 468 A HA 0.566 4.887 4.320 0.001 0.000 0.251 468 A C -0.981 176.553 177.584 -0.083 0.000 1.089 468 A CA -0.254 51.732 52.037 -0.085 0.000 0.779 468 A CB 0.255 19.210 19.000 -0.075 0.000 1.022 468 A HN 0.787 nan 8.150 nan 0.000 0.492 469 F N 2.301 122.096 119.950 -0.258 0.000 2.467 469 F HA 0.653 5.180 4.527 0.001 0.000 0.336 469 F C 0.431 176.127 175.800 -0.174 0.000 1.123 469 F CA 0.795 58.629 58.000 -0.277 0.000 0.964 469 F CB 1.463 40.154 39.000 -0.514 0.000 1.136 469 F HN 1.036 nan 8.300 nan 0.000 0.447 470 G N 2.633 110.925 108.800 -0.846 0.000 2.327 470 G HA2 0.460 4.420 3.960 0.001 0.000 0.291 470 G HA3 0.460 4.420 3.960 0.001 0.000 0.291 470 G C -1.456 173.184 174.900 -0.433 0.000 1.290 470 G CA -0.195 44.564 45.100 -0.569 0.000 0.857 470 G HN 1.104 nan 8.290 nan 0.000 0.520 471 G N -1.528 107.127 108.800 -0.241 0.000 2.949 471 G HA2 0.720 4.681 3.960 0.001 0.000 0.285 471 G HA3 0.720 4.681 3.960 0.001 0.000 0.285 471 G C -1.318 173.524 174.900 -0.097 0.000 1.395 471 G CA -0.349 44.652 45.100 -0.165 0.000 0.901 471 G HN 0.539 nan 8.290 nan 0.000 0.519 472 E N -0.321 119.836 120.200 -0.072 0.000 2.334 472 E HA 0.460 4.811 4.350 0.001 0.000 0.256 472 E C 0.096 176.696 176.600 0.001 0.000 0.958 472 E CA -0.600 55.773 56.400 -0.045 0.000 0.821 472 E CB 1.747 31.408 29.700 -0.065 0.000 1.269 472 E HN 0.643 nan 8.360 nan 0.000 0.413 473 K N -0.315 120.100 120.400 0.024 0.000 1.844 473 K HA -0.284 4.037 4.320 0.001 0.000 0.160 473 K C 1.247 177.948 176.600 0.168 0.000 1.448 473 K CA 1.576 57.920 56.287 0.095 0.000 0.446 473 K CB -1.116 31.422 32.500 0.064 0.000 0.635 473 K HN 0.642 nan 8.250 nan 0.000 0.848 474 H N 0.791 119.862 119.070 0.002 0.000 2.563 474 H HA -0.001 4.555 4.556 0.001 0.000 0.272 474 H C 1.360 176.702 175.328 0.023 0.000 1.005 474 H CA 0.973 57.030 56.048 0.014 0.000 1.171 474 H CB -0.002 29.775 29.762 0.025 0.000 1.351 474 H HN 0.383 nan 8.280 nan 0.000 0.602 475 T N -0.988 113.639 114.554 0.122 0.000 3.035 475 T HA 0.017 4.368 4.350 0.001 0.000 0.268 475 T C 1.842 176.572 174.700 0.051 0.000 1.109 475 T CA 0.953 63.097 62.100 0.072 0.000 1.119 475 T CB 0.162 69.045 68.868 0.026 0.000 0.900 475 T HN 0.719 nan 8.240 nan 0.000 0.503 476 G N 0.057 108.877 108.800 0.034 0.000 2.253 476 G HA2 0.006 3.967 3.960 0.001 0.000 0.209 476 G HA3 0.006 3.967 3.960 0.001 0.000 0.209 476 G C 1.037 175.937 174.900 0.000 0.000 0.997 476 G CA 0.215 45.326 45.100 0.019 0.000 0.640 476 G HN 1.191 nan 8.290 nan 0.000 0.496 477 G N -0.683 108.108 108.800 -0.015 0.000 2.234 477 G HA2 0.210 4.170 3.960 0.001 0.000 0.235 477 G HA3 0.210 4.170 3.960 0.001 0.000 0.235 477 G C 1.526 176.402 174.900 -0.040 0.000 0.997 477 G CA 1.058 46.138 45.100 -0.033 0.000 0.623 477 G HN 2.127 nan 8.290 nan 0.000 0.514 478 G N -0.131 108.656 108.800 -0.022 0.000 2.606 478 G HA2 0.531 4.491 3.960 0.001 0.000 0.252 478 G HA3 0.531 4.491 3.960 0.001 0.000 0.252 478 G C -0.078 174.803 174.900 -0.031 0.000 1.206 478 G CA -0.169 44.918 45.100 -0.021 0.000 0.861 478 G HN 0.397 nan 8.290 nan 0.000 0.561 479 R N 0.280 120.767 120.500 -0.021 0.000 2.686 479 R HA 0.425 4.766 4.340 0.001 0.000 0.283 479 R C -0.636 175.706 176.300 0.069 0.000 0.978 479 R CA -0.632 55.461 56.100 -0.011 0.000 0.897 479 R CB 2.353 32.623 30.300 -0.050 0.000 1.192 479 R HN 0.725 nan 8.270 nan 0.000 0.457 480 E N 0.060 120.308 120.200 0.080 0.000 2.339 480 E HA 0.471 4.821 4.350 0.001 0.000 0.262 480 E C -0.103 176.445 176.600 -0.086 0.000 0.934 480 E CA -0.694 55.763 56.400 0.095 0.000 0.802 480 E CB 2.085 31.886 29.700 0.169 0.000 1.275 480 E HN 0.610 nan 8.360 nan 0.000 0.427 481 S N -0.686 114.954 115.700 -0.100 0.000 4.156 481 S HA -0.195 4.275 4.470 0.001 0.000 0.621 481 S C 0.768 175.322 174.600 -0.076 0.000 1.870 481 S CA 1.019 59.075 58.200 -0.240 0.000 4.247 481 S CB -1.654 61.146 63.200 -0.667 0.000 0.203 481 S HN 0.834 nan 8.310 nan 0.000 0.460 482 G N 0.162 108.872 108.800 -0.150 0.000 2.641 482 G HA2 0.593 4.553 3.960 0.001 0.000 0.239 482 G HA3 0.593 4.553 3.960 0.001 0.000 0.239 482 G C 0.548 175.497 174.900 0.082 0.000 1.402 482 G CA 0.921 45.996 45.100 -0.042 0.000 1.046 482 G HN 1.907 nan 8.290 nan 0.000 0.565 483 S N -0.726 115.047 115.700 0.122 0.000 3.711 483 S HA -0.306 4.165 4.470 0.001 0.000 0.625 483 S C 0.888 175.563 174.600 0.125 0.000 2.458 483 S CA 2.065 60.323 58.200 0.096 0.000 4.059 483 S CB -1.286 61.917 63.200 0.005 0.000 0.257 483 S HN 1.294 nan 8.310 nan 0.000 0.974 484 D N 1.298 121.671 120.400 -0.044 0.000 2.587 484 D HA 0.569 5.210 4.640 0.001 0.000 0.233 484 D C 1.107 177.133 176.300 -0.458 0.000 1.213 484 D CA 0.757 54.549 54.000 -0.346 0.000 0.827 484 D CB -0.423 40.116 40.800 -0.436 0.000 1.006 484 D HN 0.711 nan 8.370 nan 0.000 0.490 485 A N 1.097 123.839 122.820 -0.131 0.000 1.978 485 A HA -0.172 4.149 4.320 0.001 0.000 0.220 485 A C 1.965 179.594 177.584 0.075 0.000 1.170 485 A CA 1.241 53.265 52.037 -0.022 0.000 0.636 485 A CB -1.384 17.670 19.000 0.089 0.000 0.810 485 A HN 0.672 nan 8.150 nan 0.000 0.448 486 W N 0.398 121.753 121.300 0.091 0.000 2.341 486 W HA -0.194 4.467 4.660 0.001 0.000 0.283 486 W C 1.165 177.753 176.519 0.116 0.000 1.215 486 W CA 1.267 58.678 57.345 0.111 0.000 1.211 486 W CB -0.747 28.684 29.460 -0.048 0.000 1.131 486 W HN 0.288 nan 8.180 nan 0.000 0.552 487 K N 0.956 120.897 120.400 -0.766 0.000 2.280 487 K HA -0.156 4.164 4.320 0.001 0.000 0.202 487 K C 2.143 178.677 176.600 -0.110 0.000 1.047 487 K CA 1.627 57.400 56.287 -0.856 0.000 0.942 487 K CB -0.294 31.444 32.500 -1.269 0.000 0.739 487 K HN 0.291 nan 8.250 nan 0.000 0.457 488 Q N -0.660 119.108 119.800 -0.053 0.000 2.364 488 Q HA -0.115 4.225 4.340 0.001 0.000 0.207 488 Q C 0.532 176.468 176.000 -0.108 0.000 0.970 488 Q CA 1.094 56.839 55.803 -0.096 0.000 0.888 488 Q CB 0.139 28.727 28.738 -0.251 0.000 0.951 488 Q HN 0.457 nan 8.270 nan 0.000 0.469 489 Y N -0.994 119.392 120.300 0.143 0.000 2.485 489 Y HA 0.298 4.848 4.550 0.001 0.000 0.260 489 Y C 0.408 176.459 175.900 0.251 0.000 1.173 489 Y CA -0.242 57.969 58.100 0.186 0.000 1.252 489 Y CB 0.532 39.108 38.460 0.193 0.000 1.123 489 Y HN -0.010 nan 8.280 nan 0.000 0.524 490 M N 0.324 120.179 119.600 0.425 0.000 2.593 490 M HA 0.445 4.926 4.480 0.001 0.000 0.290 490 M C -0.913 175.675 176.300 0.480 0.000 1.244 490 M CA -0.984 54.620 55.300 0.506 0.000 0.857 490 M CB 3.094 36.125 32.600 0.719 0.000 1.738 490 M HN -0.003 nan 8.290 nan 0.000 0.461 491 R N 0.940 121.653 120.500 0.355 0.000 2.393 491 R HA 0.645 4.986 4.340 0.001 0.000 0.310 491 R C -0.825 175.404 176.300 -0.118 0.000 0.968 491 R CA -0.884 55.294 56.100 0.129 0.000 0.867 491 R CB 1.937 32.278 30.300 0.068 0.000 1.124 491 R HN 0.657 nan 8.270 nan 0.000 0.450 492 R N 2.145 122.333 120.500 -0.520 0.000 2.357 492 R HA 0.200 4.540 4.340 0.001 0.000 0.296 492 R C -0.916 175.085 176.300 -0.498 0.000 1.052 492 R CA -0.190 55.273 56.100 -1.062 0.000 0.988 492 R CB 1.038 30.623 30.300 -1.190 0.000 1.025 492 R HN 0.962 nan 8.270 nan 0.000 0.469 493 S N 1.608 117.051 115.700 -0.429 0.000 2.526 493 S HA 0.405 4.875 4.470 0.001 0.000 0.293 493 S C -0.798 173.683 174.600 -0.198 0.000 1.092 493 S CA -0.818 57.243 58.200 -0.231 0.000 0.980 493 S CB 2.170 65.291 63.200 -0.131 0.000 1.048 493 S HN 0.495 nan 8.310 nan 0.000 0.483 494 T N 2.125 116.602 114.554 -0.128 0.000 2.756 494 T HA 0.509 4.859 4.350 0.001 0.000 0.290 494 T C -0.724 173.950 174.700 -0.043 0.000 0.985 494 T CA -0.408 61.644 62.100 -0.079 0.000 0.955 494 T CB -0.106 68.723 68.868 -0.066 0.000 0.930 494 T HN 0.809 nan 8.240 nan 0.000 0.451 495 C N 3.700 122.988 119.300 -0.020 0.000 2.322 495 C HA 0.606 5.067 4.460 0.001 0.000 0.324 495 C C 0.676 175.683 174.990 0.028 0.000 1.249 495 C CA -0.932 58.086 59.018 0.001 0.000 1.453 495 C CB 0.415 28.156 27.740 0.002 0.000 2.145 495 C HN 0.820 nan 8.230 nan 0.000 0.466 496 T N 4.432 119.010 114.554 0.039 0.000 2.758 496 T HA 0.537 4.888 4.350 0.001 0.000 0.285 496 T C -0.221 174.528 174.700 0.082 0.000 0.981 496 T CA -0.002 62.143 62.100 0.076 0.000 0.965 496 T CB 0.376 69.294 68.868 0.084 0.000 0.927 496 T HN 0.478 nan 8.240 nan 0.000 0.448 497 I N 3.920 124.548 120.570 0.096 0.000 2.382 497 I HA 0.286 4.457 4.170 0.001 0.000 0.285 497 I C 0.091 176.193 176.117 -0.024 0.000 1.007 497 I CA -0.921 60.416 61.300 0.063 0.000 1.142 497 I CB 1.166 39.225 38.000 0.099 0.000 1.289 497 I HN 0.440 nan 8.210 nan 0.000 0.453 498 N N 6.214 124.796 118.700 -0.197 0.000 2.402 498 N HA 0.024 4.765 4.740 0.001 0.000 0.252 498 N C 0.157 175.481 175.510 -0.310 0.000 1.118 498 N CA -0.166 52.512 53.050 -0.620 0.000 0.945 498 N CB 0.389 38.515 38.487 -0.602 0.000 1.147 498 N HN 0.491 nan 8.380 nan 0.000 0.495 499 Y N 1.053 121.211 120.300 -0.237 0.000 2.457 499 Y HA 0.511 5.061 4.550 0.001 0.000 0.263 499 Y C 0.263 176.099 175.900 -0.106 0.000 1.164 499 Y CA -0.824 57.201 58.100 -0.124 0.000 1.274 499 Y CB -0.204 38.212 38.460 -0.074 0.000 1.097 499 Y HN 0.117 nan 8.280 nan 0.000 0.523 500 S N 0.000 115.518 115.700 -0.304 0.000 2.498 500 S HA 0.000 4.471 4.470 0.001 0.000 0.327 500 S CA 0.000 58.095 58.200 -0.175 0.000 1.107 500 S CB 0.000 63.032 63.200 -0.280 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517