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 2cx9_1_C DATA FIRST_RESID 3 DATA SEQUENCE LWFEEGAEER QVLGPFREFL KAEVAPGAAE RDRTGAFPWD LVRKLAEFGV DATA SEQUENCE FGALVPEAYG GAGLSTRLFA RMVEAIAYYD GALALTVASH NSLATGHILL DATA SEQUENCE AGSEAQKEAF LPKLASGEAL GAWGLTEPGS GSDAAALKTK AEKVEGGWRL DATA SEQUENCE NGTKQFITQG SVAGVYVVMA RTDPPPSPER KHQGISAFAF FRPERGLKVG DATA SEQUENCE RKEEKLGLTA SDTAQLILED LFVPEEALLG ERGKGFYDVL RVLDGGRIGI DATA SEQUENCE AAMAVGLGQA ALDYALAYAK GREAFGRPIA EFEGVSFKLA EAATELEAAR DATA SEQUENCE LLYLKAAELK DAGRPFTLEA AQAKLFASEA AVKACDEAIQ ILGGYGYVKD DATA SEQUENCE YPVERYWRDA RLTRIGEGTS EILKLVIARR LLEAV 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.578 176.870 -0.487 0.000 1.165 3 L CA 0.000 54.584 54.840 -0.427 0.000 0.813 3 L CB 0.000 41.608 42.059 -0.752 0.000 0.961 4 W N 3.692 124.695 121.300 -0.495 0.000 2.290 4 W HA -0.308 4.337 4.660 -0.024 0.000 0.323 4 W C 2.015 178.370 176.519 -0.273 0.000 1.260 4 W CA 2.603 59.767 57.345 -0.303 0.000 1.266 4 W CB -0.187 29.184 29.460 -0.149 0.000 1.149 4 W HN 0.602 nan 8.180 nan 0.000 0.482 5 F N 0.280 120.236 119.950 0.010 0.000 2.546 5 F HA 0.199 4.712 4.527 -0.024 0.000 0.298 5 F C 0.769 176.380 175.800 -0.314 0.000 1.120 5 F CA 0.355 58.156 58.000 -0.331 0.000 1.456 5 F CB -1.320 37.720 39.000 0.067 0.000 1.088 5 F HN -0.101 nan 8.300 nan 0.000 0.572 6 E N 0.674 120.666 120.200 -0.348 0.000 2.254 6 E HA 0.223 4.558 4.350 -0.024 0.000 0.261 6 E C -0.479 175.993 176.600 -0.213 0.000 1.051 6 E CA -0.907 55.389 56.400 -0.174 0.000 0.902 6 E CB 0.819 30.419 29.700 -0.166 0.000 1.168 6 E HN 0.253 nan 8.360 nan 0.000 0.423 7 E N 0.621 120.742 120.200 -0.131 0.000 2.257 7 E HA 0.178 4.514 4.350 -0.024 0.000 0.278 7 E C 0.007 176.543 176.600 -0.106 0.000 1.049 7 E CA -0.443 55.888 56.400 -0.115 0.000 0.876 7 E CB 0.843 30.504 29.700 -0.066 0.000 1.035 7 E HN 0.496 nan 8.360 nan 0.000 0.419 8 G N 1.777 110.510 108.800 -0.112 0.000 2.606 8 G HA2 0.202 4.148 3.960 -0.024 0.000 0.252 8 G HA3 0.202 4.148 3.960 -0.024 0.000 0.252 8 G C 0.988 175.856 174.900 -0.053 0.000 1.206 8 G CA 0.033 45.081 45.100 -0.086 0.000 0.861 8 G HN 0.610 nan 8.290 nan 0.000 0.561 9 A N -0.052 122.744 122.820 -0.040 0.000 1.978 9 A HA -0.086 4.219 4.320 -0.024 0.000 0.220 9 A C 2.051 179.626 177.584 -0.016 0.000 1.170 9 A CA 2.027 54.050 52.037 -0.023 0.000 0.636 9 A CB -0.347 18.641 19.000 -0.019 0.000 0.810 9 A HN 0.767 nan 8.150 nan 0.000 0.448 10 E N -0.471 119.717 120.200 -0.020 0.000 2.208 10 E HA -0.140 4.195 4.350 -0.024 0.000 0.193 10 E C 1.844 178.438 176.600 -0.010 0.000 0.988 10 E CA 1.089 57.482 56.400 -0.012 0.000 0.828 10 E CB -0.110 29.581 29.700 -0.015 0.000 0.763 10 E HN 0.761 nan 8.360 nan 0.000 0.478 11 E N 0.792 120.979 120.200 -0.022 0.000 2.122 11 E HA -0.036 4.299 4.350 -0.024 0.000 0.190 11 E C 1.967 178.567 176.600 -0.000 0.000 0.977 11 E CA 0.301 56.689 56.400 -0.020 0.000 0.820 11 E CB 0.043 29.715 29.700 -0.046 0.000 0.770 11 E HN 0.115 nan 8.360 nan 0.000 0.462 12 R N 0.796 121.294 120.500 -0.004 0.000 2.285 12 R HA -0.078 4.248 4.340 -0.024 0.000 0.213 12 R C 1.958 178.276 176.300 0.030 0.000 1.068 12 R CA 0.794 56.900 56.100 0.010 0.000 1.004 12 R CB -0.009 30.290 30.300 -0.002 0.000 0.873 12 R HN 0.250 nan 8.270 nan 0.000 0.467 13 Q N -0.505 119.312 119.800 0.028 0.000 2.376 13 Q HA 0.036 4.361 4.340 -0.024 0.000 0.206 13 Q C 1.655 177.695 176.000 0.066 0.000 0.921 13 Q CA 0.549 56.377 55.803 0.041 0.000 0.911 13 Q CB 0.749 29.502 28.738 0.025 0.000 1.032 13 Q HN 0.139 nan 8.270 nan 0.000 0.510 14 V N 0.171 120.124 119.914 0.064 0.000 2.949 14 V HA -0.053 4.053 4.120 -0.024 0.000 0.245 14 V C 1.784 177.964 176.094 0.143 0.000 1.086 14 V CA 0.804 63.158 62.300 0.090 0.000 1.097 14 V CB 0.081 31.927 31.823 0.039 0.000 0.762 14 V HN 0.269 nan 8.190 nan 0.000 0.470 15 L N 0.313 121.605 121.223 0.116 0.000 2.270 15 L HA 0.131 4.456 4.340 -0.024 0.000 0.210 15 L C 2.557 179.534 176.870 0.178 0.000 1.104 15 L CA 1.248 56.188 54.840 0.166 0.000 0.804 15 L CB -0.915 41.202 42.059 0.096 0.000 0.937 15 L HN 0.440 nan 8.230 nan 0.000 0.450 16 G N 1.590 110.466 108.800 0.128 0.000 2.480 16 G HA2 -0.193 3.753 3.960 -0.024 0.000 0.216 16 G HA3 -0.193 3.753 3.960 -0.024 0.000 0.216 16 G C -0.403 174.586 174.900 0.147 0.000 1.200 16 G CA 0.890 46.055 45.100 0.108 0.000 0.782 16 G HN 0.294 nan 8.290 nan 0.000 0.554 17 P HA -0.071 nan 4.420 nan 0.000 0.219 17 P C 1.610 179.134 177.300 0.373 0.000 1.150 17 P CA 0.602 63.861 63.100 0.264 0.000 0.814 17 P CB -0.104 31.758 31.700 0.270 0.000 0.787 18 F N 1.570 121.627 119.950 0.179 0.000 2.234 18 F HA -0.033 4.480 4.527 -0.024 0.000 0.299 18 F C 2.397 178.204 175.800 0.013 0.000 1.087 18 F CA 1.093 59.084 58.000 -0.014 0.000 1.340 18 F CB -0.439 38.524 39.000 -0.061 0.000 1.031 18 F HN -0.269 nan 8.300 nan 0.000 0.500 19 R N 0.133 120.652 120.500 0.032 0.000 2.062 19 R HA -0.108 4.217 4.340 -0.024 0.000 0.229 19 R C 2.226 178.454 176.300 -0.121 0.000 1.128 19 R CA 1.546 57.603 56.100 -0.071 0.000 0.960 19 R CB -0.462 29.853 30.300 0.025 0.000 0.855 19 R HN 0.323 nan 8.270 nan 0.000 0.432 20 E N 0.043 120.233 120.200 -0.018 0.000 2.049 20 E HA -0.249 4.086 4.350 -0.024 0.000 0.198 20 E C 1.738 178.297 176.600 -0.069 0.000 1.007 20 E CA 1.518 57.904 56.400 -0.023 0.000 0.809 20 E CB -0.204 29.532 29.700 0.060 0.000 0.749 20 E HN 0.201 nan 8.360 nan 0.000 0.450 21 F N 1.641 121.509 119.950 -0.137 0.000 2.091 21 F HA -0.240 4.272 4.527 -0.024 0.000 0.299 21 F C 1.951 177.556 175.800 -0.324 0.000 1.103 21 F CA 1.424 59.324 58.000 -0.168 0.000 1.228 21 F CB -0.358 38.537 39.000 -0.175 0.000 0.984 21 F HN -0.063 nan 8.300 nan 0.000 0.477 22 L N 0.224 121.047 121.223 -0.667 0.000 2.012 22 L HA -0.272 4.053 4.340 -0.024 0.000 0.210 22 L C 2.516 178.871 176.870 -0.858 0.000 1.073 22 L CA 1.983 56.338 54.840 -0.808 0.000 0.748 22 L CB -0.802 40.896 42.059 -0.602 0.000 0.891 22 L HN 0.135 nan 8.230 nan 0.000 0.431 23 K N -0.042 119.894 120.400 -0.774 0.000 2.057 23 K HA -0.115 4.191 4.320 -0.024 0.000 0.207 23 K C 2.178 178.512 176.600 -0.444 0.000 1.049 23 K CA 1.409 57.276 56.287 -0.701 0.000 0.931 23 K CB -0.250 32.006 32.500 -0.407 0.000 0.714 23 K HN 0.289 nan 8.250 nan 0.000 0.440 24 A N 1.155 123.749 122.820 -0.376 0.000 1.970 24 A HA -0.077 4.228 4.320 -0.024 0.000 0.216 24 A C 1.665 179.065 177.584 -0.306 0.000 1.170 24 A CA 1.093 52.971 52.037 -0.265 0.000 0.645 24 A CB 0.087 18.994 19.000 -0.155 0.000 0.816 24 A HN 0.107 nan 8.150 nan 0.000 0.447 25 E N -1.015 118.869 120.200 -0.526 0.000 2.465 25 E HA 0.139 4.475 4.350 -0.024 0.000 0.209 25 E C 1.651 177.983 176.600 -0.446 0.000 0.951 25 E CA 0.653 56.760 56.400 -0.487 0.000 0.997 25 E CB 0.438 29.752 29.700 -0.643 0.000 1.025 25 E HN 0.383 nan 8.360 nan 0.000 0.500 26 V N 0.795 120.390 119.914 -0.530 0.000 2.806 26 V HA 0.134 4.239 4.120 -0.024 0.000 0.239 26 V C 2.304 178.267 176.094 -0.218 0.000 1.113 26 V CA 1.159 63.254 62.300 -0.341 0.000 1.137 26 V CB -0.452 31.163 31.823 -0.346 0.000 0.865 26 V HN 0.152 nan 8.190 nan 0.000 0.482 27 A N 1.975 124.623 122.820 -0.286 0.000 1.859 27 A HA -0.159 4.146 4.320 -0.024 0.000 0.217 27 A C 0.838 178.381 177.584 -0.070 0.000 1.198 27 A CA 2.427 54.383 52.037 -0.135 0.000 0.629 27 A CB -2.159 16.692 19.000 -0.247 0.000 0.830 27 A HN 0.559 nan 8.150 nan 0.000 0.446 28 P HA -0.174 nan 4.420 nan 0.000 0.216 28 P C 1.306 178.574 177.300 -0.053 0.000 1.154 28 P CA 2.123 65.182 63.100 -0.069 0.000 0.865 28 P CB -0.534 31.115 31.700 -0.085 0.000 0.789 29 G N -1.372 107.390 108.800 -0.064 0.000 3.284 29 G HA2 0.298 4.244 3.960 -0.024 0.000 0.236 29 G HA3 0.298 4.244 3.960 -0.024 0.000 0.236 29 G C 1.489 176.365 174.900 -0.040 0.000 1.158 29 G CA 0.507 45.578 45.100 -0.048 0.000 0.774 29 G HN 0.357 nan 8.290 nan 0.000 0.545 30 A N 1.297 124.099 122.820 -0.030 0.000 1.858 30 A HA 0.232 4.538 4.320 -0.024 0.000 0.216 30 A C 2.776 180.345 177.584 -0.025 0.000 1.190 30 A CA 2.135 54.164 52.037 -0.014 0.000 0.617 30 A CB -0.754 18.264 19.000 0.029 0.000 0.827 30 A HN 0.682 nan 8.150 nan 0.000 0.443 31 A N -0.373 122.425 122.820 -0.036 0.000 1.883 31 A HA -0.219 4.086 4.320 -0.024 0.000 0.217 31 A C 2.061 179.617 177.584 -0.046 0.000 1.186 31 A CA 1.968 53.971 52.037 -0.057 0.000 0.624 31 A CB -0.688 18.268 19.000 -0.074 0.000 0.822 31 A HN 0.689 nan 8.150 nan 0.000 0.444 32 E N -0.507 119.669 120.200 -0.038 0.000 2.058 32 E HA -0.260 4.075 4.350 -0.024 0.000 0.194 32 E C 2.277 178.864 176.600 -0.022 0.000 0.997 32 E CA 1.384 57.767 56.400 -0.029 0.000 0.801 32 E CB -0.154 29.531 29.700 -0.025 0.000 0.746 32 E HN 0.561 nan 8.360 nan 0.000 0.450 33 R N 0.179 120.665 120.500 -0.023 0.000 2.120 33 R HA -0.173 4.153 4.340 -0.024 0.000 0.234 33 R C 1.987 178.278 176.300 -0.015 0.000 1.123 33 R CA 1.728 57.817 56.100 -0.018 0.000 0.975 33 R CB -0.176 30.107 30.300 -0.029 0.000 0.866 33 R HN 0.232 nan 8.270 nan 0.000 0.446 34 D N -0.210 120.176 120.400 -0.023 0.000 2.178 34 D HA -0.137 4.489 4.640 -0.024 0.000 0.202 34 D C 1.710 177.997 176.300 -0.022 0.000 0.974 34 D CA 1.234 55.219 54.000 -0.025 0.000 0.841 34 D CB 0.231 41.008 40.800 -0.038 0.000 0.953 34 D HN 0.141 nan 8.370 nan 0.000 0.478 35 R N -0.733 119.753 120.500 -0.023 0.000 2.066 35 R HA 0.012 4.338 4.340 -0.024 0.000 0.224 35 R C 2.556 178.853 176.300 -0.006 0.000 1.122 35 R CA 1.596 57.684 56.100 -0.019 0.000 0.974 35 R CB -0.545 29.741 30.300 -0.024 0.000 0.871 35 R HN 0.336 nan 8.270 nan 0.000 0.435 36 T N -2.560 111.994 114.554 -0.000 0.000 2.770 36 T HA 0.012 4.347 4.350 -0.024 0.000 0.263 36 T C 1.633 176.348 174.700 0.024 0.000 1.039 36 T CA 1.217 63.325 62.100 0.014 0.000 1.142 36 T CB -0.227 68.652 68.868 0.018 0.000 0.868 36 T HN 0.429 nan 8.240 nan 0.000 0.435 37 G N 1.564 110.377 108.800 0.022 0.000 2.143 37 G HA2 -0.015 3.930 3.960 -0.024 0.000 0.249 37 G HA3 -0.015 3.930 3.960 -0.024 0.000 0.249 37 G C 0.217 175.155 174.900 0.064 0.000 0.981 37 G CA 0.093 45.214 45.100 0.035 0.000 0.665 37 G HN 1.306 nan 8.290 nan 0.000 0.528 38 A N 0.188 123.046 122.820 0.062 0.000 2.396 38 A HA 0.583 4.889 4.320 -0.024 0.000 0.279 38 A C 0.269 177.913 177.584 0.101 0.000 1.165 38 A CA -0.353 51.743 52.037 0.099 0.000 0.824 38 A CB 0.010 19.062 19.000 0.087 0.000 1.100 38 A HN 1.321 nan 8.150 nan 0.000 0.516 39 F N 6.476 126.408 119.950 -0.031 0.000 2.569 39 F HA 0.174 4.688 4.527 -0.022 0.000 0.395 39 F C -1.391 174.322 175.800 -0.146 0.000 1.028 39 F CA -1.519 56.385 58.000 -0.160 0.000 1.158 39 F CB 0.606 39.417 39.000 -0.314 0.000 1.023 39 F HN 0.432 nan 8.300 nan 0.000 0.547 40 P HA -0.020 nan 4.420 nan 0.000 0.237 40 P C 0.344 177.369 177.300 -0.457 0.000 1.788 40 P CA 0.114 62.982 63.100 -0.387 0.000 1.061 40 P CB -0.376 31.155 31.700 -0.282 0.000 1.967 41 W N 2.163 123.315 121.300 -0.247 0.000 2.325 41 W HA -0.233 4.413 4.660 -0.025 0.000 0.299 41 W C 2.213 178.684 176.519 -0.080 0.000 1.215 41 W CA 1.626 58.913 57.345 -0.097 0.000 1.244 41 W CB -0.439 29.073 29.460 0.087 0.000 1.140 41 W HN 0.292 nan 8.180 nan 0.000 0.523 42 D N 0.388 120.902 120.400 0.189 0.000 2.092 42 D HA -0.219 4.407 4.640 -0.024 0.000 0.193 42 D C 1.913 178.276 176.300 0.105 0.000 0.994 42 D CA 1.612 55.689 54.000 0.129 0.000 0.828 42 D CB -1.096 39.764 40.800 0.101 0.000 0.963 42 D HN 0.237 nan 8.370 nan 0.000 0.450 43 L N 0.346 121.608 121.223 0.065 0.000 2.201 43 L HA -0.105 4.221 4.340 -0.024 0.000 0.212 43 L C 2.856 179.803 176.870 0.129 0.000 1.105 43 L CA 0.345 55.258 54.840 0.122 0.000 0.775 43 L CB -0.138 41.951 42.059 0.050 0.000 0.913 43 L HN -0.035 nan 8.230 nan 0.000 0.440 44 V N -0.233 119.675 119.914 -0.010 0.000 2.270 44 V HA -0.279 3.827 4.120 -0.024 0.000 0.245 44 V C 2.646 178.631 176.094 -0.181 0.000 1.043 44 V CA 1.804 64.027 62.300 -0.128 0.000 1.014 44 V CB -0.535 31.107 31.823 -0.302 0.000 0.645 44 V HN 0.425 nan 8.190 nan 0.000 0.447 45 R N 0.074 120.547 120.500 -0.045 0.000 2.092 45 R HA -0.202 4.124 4.340 -0.024 0.000 0.231 45 R C 2.336 178.665 176.300 0.049 0.000 1.119 45 R CA 1.683 57.773 56.100 -0.017 0.000 0.970 45 R CB -0.139 30.191 30.300 0.051 0.000 0.864 45 R HN 0.337 nan 8.270 nan 0.000 0.440 46 K N 0.483 120.953 120.400 0.116 0.000 2.148 46 K HA -0.059 4.247 4.320 -0.024 0.000 0.204 46 K C 1.793 178.491 176.600 0.162 0.000 1.050 46 K CA 1.176 57.561 56.287 0.164 0.000 0.942 46 K CB -0.074 32.604 32.500 0.297 0.000 0.724 46 K HN 0.194 nan 8.250 nan 0.000 0.446 47 L N -0.465 120.916 121.223 0.262 0.000 2.162 47 L HA 0.058 4.383 4.340 -0.024 0.000 0.205 47 L C 2.298 179.445 176.870 0.461 0.000 1.086 47 L CA 0.822 55.889 54.840 0.378 0.000 0.778 47 L CB -0.500 41.898 42.059 0.564 0.000 0.928 47 L HN 0.201 nan 8.230 nan 0.000 0.446 48 A N 0.052 123.085 122.820 0.355 0.000 2.032 48 A HA -0.263 4.042 4.320 -0.024 0.000 0.221 48 A C 2.099 179.818 177.584 0.225 0.000 1.165 48 A CA 1.751 53.977 52.037 0.315 0.000 0.645 48 A CB -0.457 18.563 19.000 0.033 0.000 0.807 48 A HN 0.467 nan 8.150 nan 0.000 0.453 49 E N -1.259 119.043 120.200 0.170 0.000 2.118 49 E HA -0.191 4.145 4.350 -0.024 0.000 0.195 49 E C 0.912 177.488 176.600 -0.040 0.000 0.992 49 E CA 1.249 57.660 56.400 0.019 0.000 0.804 49 E CB -0.237 29.400 29.700 -0.105 0.000 0.741 49 E HN 0.762 nan 8.360 nan 0.000 0.458 50 F N -0.671 119.276 119.950 -0.005 0.000 2.804 50 F HA 0.201 4.713 4.527 -0.024 0.000 0.303 50 F C 1.724 177.508 175.800 -0.026 0.000 1.154 50 F CA 0.704 58.692 58.000 -0.020 0.000 1.401 50 F CB 0.372 39.364 39.000 -0.014 0.000 1.106 50 F HN 0.073 nan 8.300 nan 0.000 0.568 51 G N -0.506 108.399 108.800 0.175 0.000 2.225 51 G HA2 -0.346 3.600 3.960 -0.024 0.000 0.254 51 G HA3 -0.346 3.600 3.960 -0.024 0.000 0.254 51 G C 1.318 176.298 174.900 0.132 0.000 0.988 51 G CA 0.413 45.586 45.100 0.122 0.000 0.625 51 G HN 0.187 nan 8.290 nan 0.000 0.527 52 V N -0.194 119.813 119.914 0.155 0.000 2.353 52 V HA -0.278 3.828 4.120 -0.024 0.000 0.260 52 V C 2.235 178.328 176.094 -0.002 0.000 1.091 52 V CA 2.850 65.193 62.300 0.071 0.000 1.088 52 V CB -0.522 31.376 31.823 0.125 0.000 0.672 52 V HN 0.461 nan 8.190 nan 0.000 0.455 53 F N -0.141 119.879 119.950 0.118 0.000 2.797 53 F HA 0.359 4.871 4.527 -0.025 0.000 0.302 53 F C 1.654 177.556 175.800 0.170 0.000 1.130 53 F CA 0.764 58.867 58.000 0.172 0.000 1.387 53 F CB 0.238 39.287 39.000 0.081 0.000 1.107 53 F HN 0.183 nan 8.300 nan 0.000 0.577 54 G N -1.407 107.474 108.800 0.136 0.000 4.530 54 G HA2 0.334 4.280 3.960 -0.024 0.000 0.284 54 G HA3 0.334 4.280 3.960 -0.024 0.000 0.284 54 G C 1.425 176.271 174.900 -0.089 0.000 1.008 54 G CA 0.320 45.439 45.100 0.033 0.000 0.770 54 G HN 0.215 nan 8.290 nan 0.000 0.424 55 A N 0.756 123.474 122.820 -0.170 0.000 1.954 55 A HA -0.142 4.164 4.320 -0.024 0.000 0.222 55 A C 2.054 179.486 177.584 -0.254 0.000 1.199 55 A CA 1.678 53.584 52.037 -0.218 0.000 0.657 55 A CB -0.323 18.494 19.000 -0.306 0.000 0.823 55 A HN 0.463 nan 8.150 nan 0.000 0.463 56 L N -0.699 120.298 121.223 -0.378 0.000 2.585 56 L HA 0.128 4.453 4.340 -0.024 0.000 0.226 56 L C 0.071 176.830 176.870 -0.184 0.000 1.113 56 L CA -0.444 54.227 54.840 -0.281 0.000 0.876 56 L CB 0.095 41.935 42.059 -0.365 0.000 1.072 56 L HN 0.076 nan 8.230 nan 0.000 0.468 57 V N 1.591 121.412 119.914 -0.155 0.000 2.637 57 V HA 0.122 4.228 4.120 -0.024 0.000 0.296 57 V C -1.960 174.121 176.094 -0.021 0.000 1.046 57 V CA -1.234 61.005 62.300 -0.103 0.000 1.066 57 V CB 0.695 32.485 31.823 -0.055 0.000 0.968 57 V HN -0.004 nan 8.190 nan 0.000 0.483 58 P HA 0.080 nan 4.420 nan 0.000 0.265 58 P C 0.731 178.131 177.300 0.165 0.000 1.193 58 P CA 0.084 63.257 63.100 0.121 0.000 0.765 58 P CB 0.478 32.321 31.700 0.237 0.000 0.823 59 E N 2.630 122.886 120.200 0.094 0.000 2.187 59 E HA -0.285 4.051 4.350 -0.024 0.000 0.199 59 E C 1.881 178.526 176.600 0.074 0.000 1.004 59 E CA 1.596 58.038 56.400 0.071 0.000 0.813 59 E CB -0.325 29.398 29.700 0.037 0.000 0.736 59 E HN 0.519 nan 8.360 nan 0.000 0.468 60 A N 0.558 123.423 122.820 0.076 0.000 1.940 60 A HA -0.186 4.119 4.320 -0.024 0.000 0.219 60 A C 1.421 178.940 177.584 -0.110 0.000 1.176 60 A CA 1.284 53.297 52.037 -0.040 0.000 0.631 60 A CB -0.590 18.346 19.000 -0.106 0.000 0.814 60 A HN 0.299 nan 8.150 nan 0.000 0.446 61 Y N -1.030 119.281 120.300 0.018 0.000 2.461 61 Y HA 0.364 4.900 4.550 -0.023 0.000 0.277 61 Y C 1.880 177.801 175.900 0.036 0.000 1.182 61 Y CA 0.284 58.402 58.100 0.030 0.000 1.276 61 Y CB -0.011 38.467 38.460 0.031 0.000 1.087 61 Y HN 0.447 nan 8.280 nan 0.000 0.519 62 G N -0.831 108.053 108.800 0.140 0.000 2.254 62 G HA2 -0.248 3.698 3.960 -0.024 0.000 0.225 62 G HA3 -0.248 3.698 3.960 -0.024 0.000 0.225 62 G C 0.971 175.930 174.900 0.099 0.000 1.003 62 G CA -0.232 44.929 45.100 0.103 0.000 0.622 62 G HN 0.724 nan 8.290 nan 0.000 0.507 63 G N -0.197 108.672 108.800 0.114 0.000 2.712 63 G HA2 0.562 4.507 3.960 -0.024 0.000 0.258 63 G HA3 0.562 4.507 3.960 -0.024 0.000 0.258 63 G C 1.182 176.110 174.900 0.047 0.000 1.241 63 G CA 0.764 45.906 45.100 0.071 0.000 0.923 63 G HN 1.410 nan 8.290 nan 0.000 0.548 64 A N -0.914 121.918 122.820 0.020 0.000 2.275 64 A HA 0.490 4.796 4.320 -0.024 0.000 0.212 64 A C 1.858 179.440 177.584 -0.003 0.000 1.201 64 A CA 1.086 53.129 52.037 0.010 0.000 0.843 64 A CB -0.564 18.440 19.000 0.007 0.000 0.873 64 A HN 2.331 nan 8.150 nan 0.000 0.492 65 G N 0.377 109.171 108.800 -0.010 0.000 2.396 65 G HA2 -0.228 3.718 3.960 -0.024 0.000 0.288 65 G HA3 -0.228 3.718 3.960 -0.024 0.000 0.288 65 G C 0.024 174.911 174.900 -0.023 0.000 0.926 65 G CA 0.796 45.887 45.100 -0.015 0.000 1.211 65 G HN 0.494 nan 8.290 nan 0.000 0.496 66 L N 0.010 121.210 121.223 -0.038 0.000 2.400 66 L HA 0.628 4.954 4.340 -0.024 0.000 0.264 66 L C 1.307 178.163 176.870 -0.023 0.000 1.061 66 L CA -0.591 54.235 54.840 -0.023 0.000 0.799 66 L CB 1.379 43.431 42.059 -0.011 0.000 1.240 66 L HN 0.431 nan 8.230 nan 0.000 0.461 67 S N -1.557 114.140 115.700 -0.006 0.000 2.565 67 S HA 0.092 4.547 4.470 -0.024 0.000 0.276 67 S C 0.873 175.486 174.600 0.023 0.000 1.326 67 S CA -0.584 57.612 58.200 -0.006 0.000 1.045 67 S CB 1.286 64.482 63.200 -0.006 0.000 0.918 67 S HN 0.624 nan 8.310 nan 0.000 0.505 68 T N 1.962 116.519 114.554 0.006 0.000 2.849 68 T HA -0.162 4.174 4.350 -0.024 0.000 0.270 68 T C 1.815 176.564 174.700 0.081 0.000 1.066 68 T CA 1.699 63.831 62.100 0.054 0.000 1.130 68 T CB -0.364 68.483 68.868 -0.036 0.000 0.864 68 T HN 0.758 nan 8.240 nan 0.000 0.481 69 R N 0.376 120.899 120.500 0.038 0.000 2.066 69 R HA -0.040 4.286 4.340 -0.024 0.000 0.232 69 R C 2.369 178.688 176.300 0.033 0.000 1.131 69 R CA 1.153 57.274 56.100 0.036 0.000 0.955 69 R CB -0.461 29.831 30.300 -0.013 0.000 0.851 69 R HN 0.302 nan 8.270 nan 0.000 0.432 70 L N 0.565 121.802 121.223 0.023 0.000 2.056 70 L HA -0.093 4.233 4.340 -0.024 0.000 0.207 70 L C 2.046 178.931 176.870 0.024 0.000 1.078 70 L CA 1.596 56.443 54.840 0.010 0.000 0.749 70 L CB -0.884 41.177 42.059 0.004 0.000 0.901 70 L HN 0.236 nan 8.230 nan 0.000 0.433 71 F N 0.589 120.484 119.950 -0.092 0.000 2.161 71 F HA -0.183 4.329 4.527 -0.025 0.000 0.300 71 F C 2.219 177.946 175.800 -0.122 0.000 1.089 71 F CA 1.397 59.323 58.000 -0.122 0.000 1.282 71 F CB -0.844 38.084 39.000 -0.121 0.000 1.010 71 F HN 0.155 nan 8.300 nan 0.000 0.485 72 A N 0.731 123.363 122.820 -0.313 0.000 1.873 72 A HA -0.166 4.140 4.320 -0.024 0.000 0.215 72 A C 2.389 179.769 177.584 -0.340 0.000 1.186 72 A CA 1.609 53.366 52.037 -0.466 0.000 0.616 72 A CB -0.729 18.125 19.000 -0.242 0.000 0.823 72 A HN 0.442 nan 8.150 nan 0.000 0.442 73 R N -1.002 119.447 120.500 -0.084 0.000 2.120 73 R HA -0.047 4.279 4.340 -0.024 0.000 0.234 73 R C 2.159 178.429 176.300 -0.049 0.000 1.123 73 R CA 1.606 57.708 56.100 0.003 0.000 0.975 73 R CB -0.358 29.958 30.300 0.027 0.000 0.866 73 R HN 0.575 nan 8.270 nan 0.000 0.446 74 M N -0.273 119.252 119.600 -0.126 0.000 2.200 74 M HA -0.107 4.358 4.480 -0.024 0.000 0.265 74 M C 2.199 178.469 176.300 -0.051 0.000 1.066 74 M CA 1.161 56.416 55.300 -0.076 0.000 1.127 74 M CB -0.028 32.390 32.600 -0.303 0.000 1.379 74 M HN -0.037 nan 8.290 nan 0.000 0.420 75 V N 0.608 120.335 119.914 -0.312 0.000 2.343 75 V HA -0.266 3.840 4.120 -0.024 0.000 0.247 75 V C 2.255 178.245 176.094 -0.173 0.000 1.051 75 V CA 2.071 64.181 62.300 -0.318 0.000 1.036 75 V CB -0.795 30.679 31.823 -0.582 0.000 0.654 75 V HN 0.525 nan 8.190 nan 0.000 0.451 76 E N 0.362 120.454 120.200 -0.180 0.000 2.038 76 E HA -0.282 4.053 4.350 -0.024 0.000 0.195 76 E C 2.276 178.877 176.600 0.002 0.000 1.000 76 E CA 1.637 57.985 56.400 -0.087 0.000 0.803 76 E CB -0.271 29.419 29.700 -0.017 0.000 0.750 76 E HN 0.545 nan 8.360 nan 0.000 0.448 77 A N 1.072 123.921 122.820 0.049 0.000 1.892 77 A HA -0.210 4.095 4.320 -0.024 0.000 0.218 77 A C 2.199 179.873 177.584 0.151 0.000 1.188 77 A CA 1.700 53.801 52.037 0.106 0.000 0.631 77 A CB -0.734 18.388 19.000 0.202 0.000 0.822 77 A HN 0.368 nan 8.150 nan 0.000 0.447 78 I N -0.383 120.278 120.570 0.152 0.000 2.179 78 I HA -0.274 3.881 4.170 -0.024 0.000 0.242 78 I C 2.944 179.109 176.117 0.081 0.000 1.088 78 I CA 1.118 62.491 61.300 0.121 0.000 1.357 78 I CB -0.385 37.686 38.000 0.119 0.000 1.051 78 I HN 0.355 nan 8.210 nan 0.000 0.409 79 A N -0.178 122.650 122.820 0.014 0.000 2.019 79 A HA -0.279 4.026 4.320 -0.024 0.000 0.219 79 A C 2.247 179.781 177.584 -0.084 0.000 1.164 79 A CA 1.291 53.303 52.037 -0.041 0.000 0.644 79 A CB -1.024 17.925 19.000 -0.084 0.000 0.805 79 A HN 0.562 nan 8.150 nan 0.000 0.449 80 Y N -1.370 118.793 120.300 -0.228 0.000 2.333 80 Y HA -0.223 4.313 4.550 -0.024 0.000 0.290 80 Y C 1.681 177.237 175.900 -0.573 0.000 1.144 80 Y CA 2.033 59.863 58.100 -0.449 0.000 1.228 80 Y CB -0.119 38.004 38.460 -0.561 0.000 0.985 80 Y HN 0.446 nan 8.280 nan 0.000 0.542 81 Y N -1.973 118.352 120.300 0.041 0.000 2.581 81 Y HA 0.196 4.732 4.550 -0.024 0.000 0.271 81 Y C 0.148 176.040 175.900 -0.014 0.000 1.100 81 Y CA 0.127 58.232 58.100 0.008 0.000 1.281 81 Y CB 0.850 39.314 38.460 0.006 0.000 1.237 81 Y HN -0.161 nan 8.280 nan 0.000 0.514 82 D N -0.485 119.977 120.400 0.103 0.000 2.470 82 D HA 0.156 4.782 4.640 -0.024 0.000 0.233 82 D C 0.719 177.025 176.300 0.011 0.000 1.372 82 D CA 0.145 54.175 54.000 0.050 0.000 0.994 82 D CB 1.654 42.474 40.800 0.033 0.000 1.377 82 D HN 0.307 nan 8.370 nan 0.000 0.586 83 G N 2.445 111.243 108.800 -0.004 0.000 2.446 83 G HA2 -0.238 3.708 3.960 -0.024 0.000 0.217 83 G HA3 -0.238 3.708 3.960 -0.024 0.000 0.217 83 G C 1.429 176.314 174.900 -0.025 0.000 1.168 83 G CA 1.323 46.405 45.100 -0.029 0.000 0.771 83 G HN 0.568 nan 8.290 nan 0.000 0.551 84 A N 0.706 123.516 122.820 -0.016 0.000 1.873 84 A HA -0.039 4.267 4.320 -0.024 0.000 0.218 84 A C 2.480 180.061 177.584 -0.005 0.000 1.193 84 A CA 1.597 53.628 52.037 -0.011 0.000 0.629 84 A CB -0.596 18.397 19.000 -0.012 0.000 0.826 84 A HN 0.361 nan 8.150 nan 0.000 0.447 85 L N -0.976 120.240 121.223 -0.012 0.000 2.012 85 L HA -0.247 4.078 4.340 -0.024 0.000 0.210 85 L C 3.167 180.043 176.870 0.009 0.000 1.073 85 L CA 1.202 56.043 54.840 0.002 0.000 0.748 85 L CB -0.672 41.395 42.059 0.013 0.000 0.891 85 L HN 0.487 nan 8.230 nan 0.000 0.431 86 A N -0.036 122.780 122.820 -0.007 0.000 1.917 86 A HA -0.273 4.033 4.320 -0.024 0.000 0.219 86 A C 2.205 179.763 177.584 -0.044 0.000 1.182 86 A CA 2.046 54.061 52.037 -0.037 0.000 0.633 86 A CB -0.763 18.203 19.000 -0.057 0.000 0.819 86 A HN 0.360 nan 8.150 nan 0.000 0.448 87 L N -0.394 120.813 121.223 -0.027 0.000 2.056 87 L HA -0.094 4.232 4.340 -0.024 0.000 0.207 87 L C 2.480 179.364 176.870 0.023 0.000 1.078 87 L CA 2.754 57.586 54.840 -0.014 0.000 0.749 87 L CB -0.949 41.104 42.059 -0.010 0.000 0.901 87 L HN 0.383 nan 8.230 nan 0.000 0.433 88 T N -1.114 113.471 114.554 0.051 0.000 2.674 88 T HA -0.175 4.161 4.350 -0.024 0.000 0.265 88 T C 1.951 176.701 174.700 0.082 0.000 1.039 88 T CA 1.769 63.939 62.100 0.117 0.000 1.150 88 T CB -0.474 68.494 68.868 0.167 0.000 0.864 88 T HN 0.192 nan 8.240 nan 0.000 0.427 89 V N 1.736 121.627 119.914 -0.039 0.000 2.261 89 V HA -0.189 3.916 4.120 -0.024 0.000 0.246 89 V C 2.913 178.996 176.094 -0.017 0.000 1.047 89 V CA 1.824 63.986 62.300 -0.231 0.000 1.015 89 V CB -1.276 30.405 31.823 -0.237 0.000 0.642 89 V HN 0.548 nan 8.190 nan 0.000 0.446 90 A N 0.719 123.546 122.820 0.012 0.000 1.883 90 A HA -0.238 4.067 4.320 -0.024 0.000 0.217 90 A C 2.568 180.189 177.584 0.063 0.000 1.186 90 A CA 2.647 54.724 52.037 0.068 0.000 0.624 90 A CB -0.881 18.084 19.000 -0.059 0.000 0.822 90 A HN 0.698 nan 8.150 nan 0.000 0.444 91 S N -0.830 114.889 115.700 0.032 0.000 2.368 91 S HA -0.253 4.203 4.470 -0.024 0.000 0.224 91 S C 1.918 176.525 174.600 0.011 0.000 1.029 91 S CA 1.588 59.794 58.200 0.010 0.000 0.988 91 S CB -0.886 62.342 63.200 0.046 0.000 0.838 91 S HN 0.767 nan 8.310 nan 0.000 0.462 92 H N 2.744 121.807 119.070 -0.013 0.000 2.289 92 H HA -0.043 4.498 4.556 -0.024 0.000 0.296 92 H C 2.164 177.453 175.328 -0.064 0.000 1.091 92 H CA 2.366 58.418 56.048 0.006 0.000 1.274 92 H CB -0.528 29.300 29.762 0.109 0.000 1.364 92 H HN 0.384 nan 8.280 nan 0.000 0.490 93 N N -0.200 118.412 118.700 -0.148 0.000 2.051 93 N HA -0.125 4.601 4.740 -0.024 0.000 0.192 93 N C 2.158 177.483 175.510 -0.309 0.000 1.049 93 N CA 1.631 54.493 53.050 -0.312 0.000 0.845 93 N CB -0.404 37.836 38.487 -0.410 0.000 1.031 93 N HN 0.327 nan 8.380 nan 0.000 0.425 94 S N 1.485 117.069 115.700 -0.192 0.000 2.359 94 S HA -0.046 4.410 4.470 -0.024 0.000 0.224 94 S C 2.147 176.528 174.600 -0.365 0.000 1.035 94 S CA 0.979 59.053 58.200 -0.211 0.000 1.018 94 S CB -0.217 62.916 63.200 -0.111 0.000 0.876 94 S HN 0.197 nan 8.310 nan 0.000 0.448 95 L N 0.582 121.555 121.223 -0.417 0.000 2.255 95 L HA 0.195 4.521 4.340 -0.024 0.000 0.196 95 L C 2.841 179.393 176.870 -0.530 0.000 1.202 95 L CA 0.734 55.135 54.840 -0.732 0.000 0.819 95 L CB -1.193 40.470 42.059 -0.659 0.000 1.006 95 L HN 0.268 nan 8.230 nan 0.000 0.480 96 A N 0.389 123.051 122.820 -0.263 0.000 1.852 96 A HA -0.254 4.051 4.320 -0.024 0.000 0.217 96 A C 2.343 179.787 177.584 -0.233 0.000 1.215 96 A CA 2.972 54.919 52.037 -0.151 0.000 0.641 96 A CB -1.381 17.530 19.000 -0.149 0.000 0.838 96 A HN 0.492 nan 8.150 nan 0.000 0.450 97 T N -0.299 114.052 114.554 -0.338 0.000 2.652 97 T HA -0.065 4.271 4.350 -0.024 0.000 0.267 97 T C 1.997 176.551 174.700 -0.242 0.000 1.039 97 T CA 1.761 63.674 62.100 -0.312 0.000 1.153 97 T CB -0.945 67.680 68.868 -0.406 0.000 0.863 97 T HN 0.664 nan 8.240 nan 0.000 0.428 98 G N 0.142 108.782 108.800 -0.266 0.000 2.469 98 G HA2 -0.323 3.623 3.960 -0.024 0.000 0.219 98 G HA3 -0.323 3.623 3.960 -0.024 0.000 0.219 98 G C 1.267 176.082 174.900 -0.142 0.000 1.150 98 G CA 1.394 46.358 45.100 -0.226 0.000 0.763 98 G HN 0.678 nan 8.290 nan 0.000 0.561 99 H N -0.054 118.866 119.070 -0.250 0.000 2.353 99 H HA 0.050 4.591 4.556 -0.025 0.000 0.300 99 H C 2.642 177.887 175.328 -0.138 0.000 1.090 99 H CA 0.961 56.915 56.048 -0.157 0.000 1.327 99 H CB 0.000 29.729 29.762 -0.055 0.000 1.383 99 H HN 0.368 nan 8.280 nan 0.000 0.508 100 I N 0.125 120.665 120.570 -0.051 0.000 2.179 100 I HA -0.244 3.912 4.170 -0.024 0.000 0.242 100 I C 2.367 178.433 176.117 -0.085 0.000 1.088 100 I CA 0.666 61.890 61.300 -0.126 0.000 1.357 100 I CB -0.127 37.753 38.000 -0.199 0.000 1.051 100 I HN 0.306 nan 8.210 nan 0.000 0.409 101 L N 0.466 121.614 121.223 -0.125 0.000 2.131 101 L HA -0.174 4.151 4.340 -0.024 0.000 0.210 101 L C 2.073 178.874 176.870 -0.115 0.000 1.092 101 L CA 1.692 56.428 54.840 -0.172 0.000 0.759 101 L CB -0.537 41.392 42.059 -0.217 0.000 0.903 101 L HN 0.178 nan 8.230 nan 0.000 0.435 102 L N -0.437 120.747 121.223 -0.065 0.000 2.102 102 L HA 0.192 4.518 4.340 -0.024 0.000 0.202 102 L C 2.067 178.939 176.870 0.004 0.000 1.076 102 L CA 1.897 56.715 54.840 -0.037 0.000 0.761 102 L CB -0.689 41.340 42.059 -0.051 0.000 0.921 102 L HN 0.207 nan 8.230 nan 0.000 0.444 103 A N -1.068 121.786 122.820 0.056 0.000 2.431 103 A HA 0.527 4.833 4.320 -0.024 0.000 0.239 103 A C 1.179 178.779 177.584 0.027 0.000 1.230 103 A CA 0.206 52.279 52.037 0.059 0.000 0.928 103 A CB -0.772 18.305 19.000 0.128 0.000 1.006 103 A HN 0.384 nan 8.150 nan 0.000 0.520 104 G N 0.992 109.798 108.800 0.010 0.000 2.432 104 G HA2 0.410 4.356 3.960 -0.024 0.000 0.257 104 G HA3 0.410 4.356 3.960 -0.024 0.000 0.257 104 G C 0.484 175.416 174.900 0.053 0.000 1.238 104 G CA 0.523 45.638 45.100 0.025 0.000 0.838 104 G HN 0.606 nan 8.290 nan 0.000 0.547 105 S N 1.212 116.960 115.700 0.079 0.000 2.608 105 S HA 0.168 4.624 4.470 -0.024 0.000 0.261 105 S C 1.127 175.798 174.600 0.119 0.000 1.314 105 S CA -0.356 57.898 58.200 0.089 0.000 0.992 105 S CB 1.276 64.531 63.200 0.091 0.000 0.935 105 S HN 0.595 nan 8.310 nan 0.000 0.564 106 E N 0.914 121.186 120.200 0.121 0.000 2.160 106 E HA -0.145 4.191 4.350 -0.024 0.000 0.195 106 E C 2.256 178.951 176.600 0.158 0.000 0.991 106 E CA 1.517 58.012 56.400 0.157 0.000 0.810 106 E CB -0.988 28.783 29.700 0.118 0.000 0.742 106 E HN 0.770 nan 8.360 nan 0.000 0.466 107 A N 1.380 124.276 122.820 0.126 0.000 1.855 107 A HA -0.212 4.093 4.320 -0.024 0.000 0.215 107 A C 2.183 179.855 177.584 0.147 0.000 1.191 107 A CA 1.433 53.539 52.037 0.116 0.000 0.613 107 A CB -0.520 18.540 19.000 0.101 0.000 0.829 107 A HN 0.205 nan 8.150 nan 0.000 0.442 108 Q N -0.119 119.793 119.800 0.188 0.000 2.084 108 Q HA -0.192 4.134 4.340 -0.024 0.000 0.202 108 Q C 2.103 178.313 176.000 0.350 0.000 0.978 108 Q CA 1.760 57.743 55.803 0.301 0.000 0.844 108 Q CB -0.241 28.663 28.738 0.277 0.000 0.898 108 Q HN 0.638 nan 8.270 nan 0.000 0.426 109 K N 0.650 121.202 120.400 0.252 0.000 1.991 109 K HA -0.234 4.072 4.320 -0.024 0.000 0.212 109 K C 2.087 178.884 176.600 0.329 0.000 1.049 109 K CA 1.508 57.943 56.287 0.246 0.000 0.932 109 K CB -0.148 32.483 32.500 0.219 0.000 0.717 109 K HN 0.035 nan 8.250 nan 0.000 0.441 110 E N 0.963 121.346 120.200 0.304 0.000 2.118 110 E HA -0.182 4.153 4.350 -0.024 0.000 0.195 110 E C 1.702 178.382 176.600 0.133 0.000 0.992 110 E CA 1.614 58.139 56.400 0.208 0.000 0.804 110 E CB -0.177 29.589 29.700 0.110 0.000 0.741 110 E HN 0.334 nan 8.360 nan 0.000 0.458 111 A N -1.281 121.579 122.820 0.066 0.000 1.968 111 A HA -0.011 4.295 4.320 -0.024 0.000 0.217 111 A C 1.724 179.213 177.584 -0.157 0.000 1.169 111 A CA 1.263 53.233 52.037 -0.111 0.000 0.638 111 A CB -0.398 18.414 19.000 -0.314 0.000 0.812 111 A HN 0.321 nan 8.150 nan 0.000 0.446 112 F N -1.151 118.901 119.950 0.170 0.000 2.482 112 F HA 0.234 4.747 4.527 -0.023 0.000 0.278 112 F C 1.958 177.814 175.800 0.094 0.000 0.969 112 F CA 0.024 58.074 58.000 0.082 0.000 1.223 112 F CB -0.634 38.312 39.000 -0.088 0.000 1.140 112 F HN -0.039 nan 8.300 nan 0.000 0.672 113 L N 1.505 122.900 121.223 0.287 0.000 2.058 113 L HA -0.261 4.064 4.340 -0.024 0.000 0.226 113 L C -0.377 176.614 176.870 0.202 0.000 1.089 113 L CA 1.996 56.943 54.840 0.179 0.000 0.799 113 L CB -2.357 39.773 42.059 0.118 0.000 0.900 113 L HN 0.130 nan 8.230 nan 0.000 0.442 114 P HA -0.203 nan 4.420 nan 0.000 0.216 114 P C 1.308 178.716 177.300 0.180 0.000 1.153 114 P CA 1.721 64.933 63.100 0.188 0.000 0.858 114 P CB -0.030 31.764 31.700 0.156 0.000 0.789 115 K N -0.491 120.036 120.400 0.211 0.000 2.007 115 K HA -0.008 4.298 4.320 -0.024 0.000 0.206 115 K C 2.494 179.237 176.600 0.239 0.000 1.047 115 K CA 0.923 57.343 56.287 0.223 0.000 0.937 115 K CB -0.668 32.009 32.500 0.294 0.000 0.718 115 K HN 0.099 nan 8.250 nan 0.000 0.438 116 L N 0.910 122.289 121.223 0.259 0.000 1.971 116 L HA -0.247 4.078 4.340 -0.024 0.000 0.215 116 L C 2.563 179.669 176.870 0.393 0.000 1.072 116 L CA 1.517 56.552 54.840 0.326 0.000 0.758 116 L CB -0.710 41.444 42.059 0.159 0.000 0.889 116 L HN 0.235 nan 8.230 nan 0.000 0.433 117 A N -1.377 121.594 122.820 0.251 0.000 2.131 117 A HA -0.208 4.098 4.320 -0.024 0.000 0.220 117 A C 2.486 180.208 177.584 0.229 0.000 1.158 117 A CA 1.945 54.116 52.037 0.225 0.000 0.665 117 A CB -0.477 18.606 19.000 0.139 0.000 0.795 117 A HN 0.437 nan 8.150 nan 0.000 0.460 118 S N -2.316 113.506 115.700 0.204 0.000 2.421 118 S HA 0.318 4.774 4.470 -0.024 0.000 0.224 118 S C 1.561 176.220 174.600 0.099 0.000 1.035 118 S CA 1.605 59.891 58.200 0.144 0.000 0.953 118 S CB -0.102 63.170 63.200 0.122 0.000 0.810 118 S HN 1.698 nan 8.310 nan 0.000 0.497 119 G N 0.870 109.723 108.800 0.087 0.000 2.232 119 G HA2 -0.175 3.771 3.960 -0.024 0.000 0.226 119 G HA3 -0.175 3.771 3.960 -0.024 0.000 0.226 119 G C 0.597 175.475 174.900 -0.037 0.000 0.996 119 G CA 0.447 45.462 45.100 -0.142 0.000 0.626 119 G HN 0.467 nan 8.290 nan 0.000 0.509 120 E N 0.530 120.767 120.200 0.062 0.000 2.401 120 E HA 0.290 4.626 4.350 -0.024 0.000 0.199 120 E C 1.175 177.871 176.600 0.160 0.000 1.023 120 E CA 1.210 57.669 56.400 0.098 0.000 0.859 120 E CB 0.048 29.806 29.700 0.096 0.000 0.780 120 E HN 1.304 nan 8.360 nan 0.000 0.523 121 A N 0.883 123.816 122.820 0.189 0.000 2.402 121 A HA 0.552 4.858 4.320 -0.024 0.000 0.291 121 A C -0.590 177.141 177.584 0.245 0.000 1.051 121 A CA -0.635 51.552 52.037 0.249 0.000 0.716 121 A CB 0.907 20.093 19.000 0.311 0.000 1.223 121 A HN 0.046 nan 8.150 nan 0.000 0.425 122 L N 1.976 123.331 121.223 0.220 0.000 2.379 122 L HA 0.706 5.032 4.340 -0.024 0.000 0.269 122 L C 0.934 177.931 176.870 0.213 0.000 1.084 122 L CA -0.634 54.325 54.840 0.198 0.000 0.802 122 L CB 1.758 43.881 42.059 0.107 0.000 1.175 122 L HN 0.803 nan 8.230 nan 0.000 0.448 123 G N 0.660 109.674 108.800 0.355 0.000 2.400 123 G HA2 0.688 4.633 3.960 -0.024 0.000 0.333 123 G HA3 0.688 4.633 3.960 -0.024 0.000 0.333 123 G C -1.227 173.635 174.900 -0.063 0.000 1.143 123 G CA -0.396 44.729 45.100 0.042 0.000 0.914 123 G HN 0.734 nan 8.290 nan 0.000 0.480 124 A N 0.704 123.367 122.820 -0.261 0.000 2.355 124 A HA 0.664 4.970 4.320 -0.024 0.000 0.317 124 A C -1.845 175.715 177.584 -0.041 0.000 1.094 124 A CA -0.644 51.260 52.037 -0.221 0.000 0.764 124 A CB 1.394 20.066 19.000 -0.548 0.000 1.230 124 A HN 0.756 nan 8.150 nan 0.000 0.448 125 W N 2.835 124.057 121.300 -0.129 0.000 2.338 125 W HA 0.562 5.213 4.660 -0.015 0.000 0.315 125 W C 0.308 176.812 176.519 -0.024 0.000 1.005 125 W CA -0.718 56.580 57.345 -0.079 0.000 1.380 125 W CB 1.330 30.761 29.460 -0.050 0.000 1.235 125 W HN 0.863 nan 8.180 nan 0.000 0.409 126 G N 5.682 114.328 108.800 -0.257 0.000 2.546 126 G HA2 0.333 4.278 3.960 -0.024 0.000 0.320 126 G HA3 0.333 4.278 3.960 -0.024 0.000 0.320 126 G C -0.370 174.258 174.900 -0.453 0.000 0.984 126 G CA -0.208 44.742 45.100 -0.249 0.000 1.183 126 G HN 0.630 nan 8.290 nan 0.000 0.443 127 L N 2.297 123.215 121.223 -0.508 0.000 2.638 127 L HA 0.381 4.707 4.340 -0.024 0.000 0.195 127 L C 1.379 178.120 176.870 -0.215 0.000 1.065 127 L CA 0.819 55.362 54.840 -0.495 0.000 0.859 127 L CB -0.101 41.462 42.059 -0.827 0.000 1.269 127 L HN 0.257 nan 8.230 nan 0.000 0.484 128 T N 2.325 116.801 114.554 -0.130 0.000 2.902 128 T HA 0.228 4.564 4.350 -0.024 0.000 0.301 128 T C -0.168 174.474 174.700 -0.097 0.000 1.012 128 T CA 0.092 62.157 62.100 -0.057 0.000 1.151 128 T CB 0.275 69.159 68.868 0.026 0.000 0.946 128 T HN 0.290 nan 8.240 nan 0.000 0.542 129 E N 3.140 123.276 120.200 -0.107 0.000 2.355 129 E HA 0.266 4.602 4.350 -0.024 0.000 0.261 129 E C -1.850 174.647 176.600 -0.172 0.000 0.943 129 E CA -2.334 53.987 56.400 -0.130 0.000 0.806 129 E CB 1.154 30.794 29.700 -0.099 0.000 1.286 129 E HN 0.202 nan 8.360 nan 0.000 0.424 130 P HA -0.054 nan 4.420 nan 0.000 0.219 130 P C 0.968 178.198 177.300 -0.118 0.000 1.150 130 P CA 1.055 64.040 63.100 -0.191 0.000 0.814 130 P CB 0.157 31.765 31.700 -0.153 0.000 0.787 131 G N -1.174 107.574 108.800 -0.088 0.000 2.939 131 G HA2 0.019 3.965 3.960 -0.024 0.000 0.210 131 G HA3 0.019 3.965 3.960 -0.024 0.000 0.210 131 G C 0.184 175.054 174.900 -0.049 0.000 1.160 131 G CA 0.242 45.306 45.100 -0.060 0.000 0.770 131 G HN 0.366 nan 8.290 nan 0.000 0.543 132 S N -0.787 114.880 115.700 -0.054 0.000 2.312 132 S HA 0.469 4.925 4.470 -0.024 0.000 0.173 132 S C 0.967 175.556 174.600 -0.019 0.000 1.488 132 S CA 0.089 58.267 58.200 -0.036 0.000 1.239 132 S CB 0.945 64.116 63.200 -0.048 0.000 1.215 132 S HN 0.159 nan 8.310 nan 0.000 0.438 133 G N 1.160 109.961 108.800 0.002 0.000 2.650 133 G HA2 0.165 4.111 3.960 -0.024 0.000 0.214 133 G HA3 0.165 4.111 3.960 -0.024 0.000 0.214 133 G C 0.822 175.756 174.900 0.057 0.000 1.136 133 G CA 0.596 45.719 45.100 0.038 0.000 0.789 133 G HN 0.635 nan 8.290 nan 0.000 0.536 134 S N -0.748 114.978 115.700 0.044 0.000 3.325 134 S HA 0.064 4.519 4.470 -0.024 0.000 0.254 134 S C 0.389 175.024 174.600 0.057 0.000 1.084 134 S CA -0.289 57.945 58.200 0.056 0.000 0.786 134 S CB 0.263 63.493 63.200 0.049 0.000 0.849 134 S HN 0.282 nan 8.310 nan 0.000 0.483 135 D N 2.575 122.992 120.400 0.030 0.000 2.600 135 D HA 0.488 5.114 4.640 -0.024 0.000 0.226 135 D C 1.089 177.381 176.300 -0.013 0.000 1.119 135 D CA 0.243 54.250 54.000 0.013 0.000 1.051 135 D CB 0.238 41.029 40.800 -0.015 0.000 1.106 135 D HN 0.295 nan 8.370 nan 0.000 0.491 136 A N 2.923 125.770 122.820 0.045 0.000 1.884 136 A HA -0.208 4.097 4.320 -0.024 0.000 0.219 136 A C 2.301 179.799 177.584 -0.143 0.000 1.197 136 A CA 1.818 53.881 52.037 0.044 0.000 0.637 136 A CB -0.944 18.206 19.000 0.248 0.000 0.827 136 A HN 0.580 nan 8.150 nan 0.000 0.450 137 A N -0.635 121.933 122.820 -0.421 0.000 2.148 137 A HA 0.149 4.455 4.320 -0.024 0.000 0.222 137 A C 1.831 179.161 177.584 -0.424 0.000 1.161 137 A CA 1.700 53.215 52.037 -0.869 0.000 0.662 137 A CB -0.815 17.601 19.000 -0.973 0.000 0.799 137 A HN 1.308 nan 8.150 nan 0.000 0.466 138 A N -0.124 122.550 122.820 -0.244 0.000 2.929 138 A HA 0.529 4.834 4.320 -0.024 0.000 0.279 138 A C 0.385 177.892 177.584 -0.130 0.000 1.418 138 A CA -0.461 51.479 52.037 -0.163 0.000 1.035 138 A CB -0.579 18.355 19.000 -0.111 0.000 1.047 138 A HN 0.415 nan 8.150 nan 0.000 0.609 139 L N -0.156 120.979 121.223 -0.146 0.000 2.453 139 L HA 0.127 4.453 4.340 -0.024 0.000 0.272 139 L C 1.162 177.980 176.870 -0.087 0.000 1.182 139 L CA 0.049 54.824 54.840 -0.108 0.000 0.858 139 L CB 0.806 42.801 42.059 -0.107 0.000 1.120 139 L HN 0.418 nan 8.230 nan 0.000 0.474 140 K N 0.655 121.013 120.400 -0.070 0.000 2.354 140 K HA 0.105 4.410 4.320 -0.024 0.000 0.194 140 K C 0.333 176.905 176.600 -0.046 0.000 1.038 140 K CA -0.037 56.216 56.287 -0.055 0.000 1.052 140 K CB 0.419 32.889 32.500 -0.050 0.000 0.861 140 K HN 0.594 nan 8.250 nan 0.000 0.535 141 T N 2.666 117.190 114.554 -0.050 0.000 2.928 141 T HA 0.053 4.388 4.350 -0.024 0.000 0.305 141 T C 0.062 174.740 174.700 -0.036 0.000 1.035 141 T CA 0.659 62.733 62.100 -0.044 0.000 1.145 141 T CB 0.607 69.447 68.868 -0.046 0.000 0.963 141 T HN 0.034 nan 8.240 nan 0.000 0.545 142 K N 1.177 121.557 120.400 -0.034 0.000 2.221 142 K HA 0.715 5.021 4.320 -0.024 0.000 0.243 142 K C -0.674 175.898 176.600 -0.047 0.000 0.968 142 K CA -0.977 55.299 56.287 -0.020 0.000 0.846 142 K CB 1.997 34.496 32.500 -0.001 0.000 1.141 142 K HN 0.545 nan 8.250 nan 0.000 0.434 143 A N 2.513 125.325 122.820 -0.014 0.000 2.943 143 A HA 0.223 4.528 4.320 -0.024 0.000 0.327 143 A C -0.882 176.849 177.584 0.245 0.000 1.141 143 A CA -0.655 51.348 52.037 -0.057 0.000 0.773 143 A CB 0.114 18.913 19.000 -0.334 0.000 1.143 143 A HN 0.723 nan 8.150 nan 0.000 0.463 144 E N 1.163 121.487 120.200 0.206 0.000 2.338 144 E HA 0.225 4.560 4.350 -0.024 0.000 0.272 144 E C -0.186 176.569 176.600 0.257 0.000 1.029 144 E CA -0.554 55.983 56.400 0.227 0.000 0.872 144 E CB 1.033 30.796 29.700 0.106 0.000 1.015 144 E HN 0.400 nan 8.360 nan 0.000 0.417 145 K N 1.947 122.417 120.400 0.116 0.000 2.412 145 K HA 0.171 4.476 4.320 -0.024 0.000 0.281 145 K C -1.123 175.378 176.600 -0.164 0.000 1.027 145 K CA -0.004 56.117 56.287 -0.277 0.000 0.989 145 K CB 0.703 33.003 32.500 -0.332 0.000 0.935 145 K HN 0.275 nan 8.250 nan 0.000 0.475 146 V N 3.207 122.996 119.914 -0.209 0.000 2.971 146 V HA 0.280 4.385 4.120 -0.024 0.000 0.309 146 V C -1.250 174.820 176.094 -0.040 0.000 1.130 146 V CA -0.997 61.271 62.300 -0.054 0.000 0.964 146 V CB 1.991 33.863 31.823 0.083 0.000 1.029 146 V HN 0.923 nan 8.190 nan 0.000 0.427 147 E N 3.423 123.605 120.200 -0.029 0.000 2.606 147 E HA 0.394 4.730 4.350 -0.024 0.000 0.248 147 E C 1.013 177.641 176.600 0.047 0.000 1.005 147 E CA 1.916 58.301 56.400 -0.024 0.000 0.946 147 E CB 0.176 29.848 29.700 -0.046 0.000 0.928 147 E HN 1.370 nan 8.360 nan 0.000 0.494 148 G N 2.179 111.028 108.800 0.083 0.000 2.308 148 G HA2 -0.190 3.756 3.960 -0.024 0.000 0.221 148 G HA3 -0.190 3.756 3.960 -0.024 0.000 0.221 148 G C 0.639 175.752 174.900 0.355 0.000 1.032 148 G CA -0.071 45.168 45.100 0.232 0.000 0.623 148 G HN 1.187 nan 8.290 nan 0.000 0.506 149 G N -1.542 107.435 108.800 0.296 0.000 2.818 149 G HA2 0.498 4.444 3.960 -0.024 0.000 0.109 149 G HA3 0.498 4.444 3.960 -0.024 0.000 0.109 149 G C -1.551 173.147 174.900 -0.337 0.000 1.206 149 G CA 0.212 45.238 45.100 -0.124 0.000 1.243 149 G HN 0.763 nan 8.290 nan 0.000 0.609 150 W N -0.228 120.911 121.300 -0.269 0.000 3.031 150 W HA 0.802 5.447 4.660 -0.026 0.000 0.337 150 W C -0.360 176.051 176.519 -0.181 0.000 1.187 150 W CA -0.797 56.441 57.345 -0.179 0.000 1.166 150 W CB 1.579 30.849 29.460 -0.315 0.000 1.437 150 W HN 0.093 nan 8.180 nan 0.000 0.551 151 R N 2.403 122.987 120.500 0.139 0.000 2.332 151 R HA 0.371 4.696 4.340 -0.024 0.000 0.306 151 R C -1.234 175.047 176.300 -0.032 0.000 1.117 151 R CA -0.940 55.196 56.100 0.060 0.000 1.108 151 R CB 0.336 30.683 30.300 0.079 0.000 1.126 151 R HN 0.313 nan 8.270 nan 0.000 0.548 152 L N 3.182 124.326 121.223 -0.131 0.000 2.361 152 L HA 0.256 4.582 4.340 -0.024 0.000 0.278 152 L C 0.259 177.076 176.870 -0.089 0.000 1.113 152 L CA 0.443 55.180 54.840 -0.171 0.000 0.849 152 L CB 0.227 42.141 42.059 -0.242 0.000 1.155 152 L HN 0.250 nan 8.230 nan 0.000 0.452 153 N N 3.269 121.930 118.700 -0.065 0.000 2.504 153 N HA 0.785 5.510 4.740 -0.024 0.000 0.280 153 N C -0.121 175.367 175.510 -0.037 0.000 1.052 153 N CA -0.264 52.762 53.050 -0.040 0.000 0.887 153 N CB 2.378 40.850 38.487 -0.024 0.000 1.323 153 N HN 0.748 nan 8.380 nan 0.000 0.509 154 G N 0.100 108.880 108.800 -0.034 0.000 2.315 154 G HA2 0.365 4.311 3.960 -0.024 0.000 0.294 154 G HA3 0.365 4.311 3.960 -0.024 0.000 0.294 154 G C -1.725 173.158 174.900 -0.028 0.000 1.300 154 G CA -0.450 44.630 45.100 -0.033 0.000 0.843 154 G HN 0.224 nan 8.290 nan 0.000 0.527 155 T N 1.217 115.750 114.554 -0.035 0.000 2.921 155 T HA 0.620 4.956 4.350 -0.024 0.000 0.297 155 T C -0.665 174.005 174.700 -0.050 0.000 1.013 155 T CA -0.752 61.328 62.100 -0.034 0.000 0.990 155 T CB 1.871 70.715 68.868 -0.040 0.000 1.023 155 T HN 0.419 nan 8.240 nan 0.000 0.447 156 K N 2.188 122.567 120.400 -0.036 0.000 2.118 156 K HA 0.651 4.957 4.320 -0.024 0.000 0.254 156 K C -0.347 176.206 176.600 -0.078 0.000 0.961 156 K CA -0.840 55.415 56.287 -0.053 0.000 0.876 156 K CB 2.001 34.491 32.500 -0.017 0.000 1.077 156 K HN 0.507 nan 8.250 nan 0.000 0.440 157 Q N 0.618 120.338 119.800 -0.134 0.000 2.375 157 Q HA 0.385 4.711 4.340 -0.024 0.000 0.271 157 Q C -0.963 174.959 176.000 -0.130 0.000 1.074 157 Q CA -0.317 55.322 55.803 -0.272 0.000 0.808 157 Q CB 0.783 29.184 28.738 -0.562 0.000 1.327 157 Q HN 0.601 nan 8.270 nan 0.000 0.441 158 F N 2.718 122.681 119.950 0.022 0.000 3.074 158 F HA -0.222 4.301 4.527 -0.007 0.000 0.287 158 F C -0.187 175.634 175.800 0.034 0.000 0.932 158 F CA -0.430 57.586 58.000 0.025 0.000 0.995 158 F CB -0.867 38.148 39.000 0.025 0.000 0.966 158 F HN 0.420 nan 8.300 nan 0.000 0.721 159 I N 1.146 121.829 120.570 0.188 0.000 2.308 159 I HA 0.064 4.220 4.170 -0.024 0.000 0.293 159 I C 1.015 177.191 176.117 0.099 0.000 1.078 159 I CA 0.058 61.434 61.300 0.127 0.000 1.292 159 I CB 0.232 38.281 38.000 0.082 0.000 1.423 159 I HN -0.014 nan 8.210 nan 0.000 0.493 160 T N 6.973 121.589 114.554 0.103 0.000 2.871 160 T HA 0.025 4.360 4.350 -0.024 0.000 0.296 160 T C 0.833 175.546 174.700 0.022 0.000 0.998 160 T CA 0.280 62.420 62.100 0.067 0.000 1.162 160 T CB 0.086 69.002 68.868 0.081 0.000 0.947 160 T HN 0.564 nan 8.240 nan 0.000 0.536 161 Q N 0.362 120.147 119.800 -0.025 0.000 2.493 161 Q HA -0.177 4.149 4.340 -0.024 0.000 0.260 161 Q C 1.542 177.462 176.000 -0.132 0.000 0.905 161 Q CA 0.902 56.636 55.803 -0.114 0.000 1.140 161 Q CB -1.775 26.923 28.738 -0.066 0.000 1.435 161 Q HN 1.013 nan 8.270 nan 0.000 0.581 162 G N -0.311 108.458 108.800 -0.051 0.000 2.505 162 G HA2 -0.261 3.684 3.960 -0.024 0.000 0.220 162 G HA3 -0.261 3.684 3.960 -0.024 0.000 0.220 162 G C 0.723 175.663 174.900 0.065 0.000 1.145 162 G CA 1.080 46.194 45.100 0.023 0.000 0.761 162 G HN 0.662 nan 8.290 nan 0.000 0.571 163 S N -1.856 113.842 115.700 -0.004 0.000 2.718 163 S HA 0.426 4.882 4.470 -0.024 0.000 0.292 163 S C 1.372 175.935 174.600 -0.062 0.000 1.125 163 S CA 0.953 59.173 58.200 0.032 0.000 1.013 163 S CB 1.501 64.704 63.200 0.004 0.000 1.192 163 S HN 1.734 nan 8.310 nan 0.000 0.535 164 V N -3.729 116.204 119.914 0.033 0.000 1.811 164 V HA -0.233 3.873 4.120 -0.024 0.000 0.070 164 V C 0.338 176.524 176.094 0.154 0.000 0.464 164 V CA 1.523 63.894 62.300 0.118 0.000 1.436 164 V CB -2.591 28.812 31.823 -0.699 0.000 1.695 164 V HN 1.932 nan 8.190 nan 0.000 0.836 165 A N 0.411 123.266 122.820 0.059 0.000 2.362 165 A HA 0.750 5.056 4.320 -0.024 0.000 0.276 165 A C 1.387 179.104 177.584 0.221 0.000 1.153 165 A CA 0.495 52.511 52.037 -0.034 0.000 0.813 165 A CB 0.921 19.562 19.000 -0.597 0.000 1.081 165 A HN 1.681 nan 8.150 nan 0.000 0.507 166 G N 1.395 110.331 108.800 0.227 0.000 2.510 166 G HA2 0.347 4.293 3.960 -0.024 0.000 0.212 166 G HA3 0.347 4.293 3.960 -0.024 0.000 0.212 166 G C 0.207 175.328 174.900 0.368 0.000 1.151 166 G CA 0.536 45.848 45.100 0.353 0.000 0.817 166 G HN 0.648 nan 8.290 nan 0.000 0.534 167 V N 0.631 120.636 119.914 0.152 0.000 2.495 167 V HA 0.581 4.686 4.120 -0.024 0.000 0.298 167 V C -1.332 174.682 176.094 -0.134 0.000 1.031 167 V CA -1.011 61.277 62.300 -0.019 0.000 0.871 167 V CB 1.423 33.142 31.823 -0.173 0.000 0.988 167 V HN 0.197 nan 8.190 nan 0.000 0.432 168 Y N 2.518 122.554 120.300 -0.440 0.000 2.485 168 Y HA 0.745 5.279 4.550 -0.026 0.000 0.345 168 Y C -0.106 175.333 175.900 -0.768 0.000 0.998 168 Y CA -1.106 56.655 58.100 -0.565 0.000 1.059 168 Y CB 2.318 40.373 38.460 -0.676 0.000 1.234 168 Y HN 0.326 nan 8.280 nan 0.000 0.461 169 V N 3.720 123.431 119.914 -0.338 0.000 2.482 169 V HA 0.547 4.653 4.120 -0.024 0.000 0.295 169 V C -0.977 174.979 176.094 -0.230 0.000 1.026 169 V CA -0.793 61.318 62.300 -0.315 0.000 0.856 169 V CB 1.568 33.302 31.823 -0.149 0.000 1.001 169 V HN 0.526 nan 8.190 nan 0.000 0.424 170 V N 5.477 125.293 119.914 -0.164 0.000 2.604 170 V HA 0.576 4.681 4.120 -0.024 0.000 0.305 170 V C -0.194 175.892 176.094 -0.013 0.000 1.043 170 V CA -0.688 61.565 62.300 -0.077 0.000 0.888 170 V CB 2.170 34.032 31.823 0.065 0.000 0.995 170 V HN 0.733 nan 8.190 nan 0.000 0.429 171 M N 3.676 123.213 119.600 -0.105 0.000 2.277 171 M HA 0.841 5.307 4.480 -0.024 0.000 0.350 171 M C -0.086 176.222 176.300 0.014 0.000 1.180 171 M CA -0.413 54.858 55.300 -0.049 0.000 1.103 171 M CB 1.038 33.564 32.600 -0.123 0.000 1.577 171 M HN 0.809 nan 8.290 nan 0.000 0.459 172 A N 2.382 125.249 122.820 0.077 0.000 2.566 172 A HA 0.634 4.939 4.320 -0.024 0.000 0.297 172 A C -0.781 176.835 177.584 0.052 0.000 1.059 172 A CA -0.892 51.179 52.037 0.056 0.000 0.691 172 A CB 1.514 20.542 19.000 0.047 0.000 1.282 172 A HN 0.844 nan 8.150 nan 0.000 0.401 173 R N 1.054 121.558 120.500 0.006 0.000 2.389 173 R HA 0.399 4.725 4.340 -0.024 0.000 0.295 173 R C 0.850 177.178 176.300 0.046 0.000 1.075 173 R CA 0.871 56.973 56.100 0.003 0.000 1.005 173 R CB 0.489 30.773 30.300 -0.026 0.000 0.987 173 R HN 0.887 nan 8.270 nan 0.000 0.452 174 T N -0.759 113.834 114.554 0.066 0.000 3.003 174 T HA 0.247 4.583 4.350 -0.024 0.000 0.261 174 T C -0.089 174.692 174.700 0.136 0.000 1.003 174 T CA -0.259 61.923 62.100 0.137 0.000 0.917 174 T CB 0.411 69.371 68.868 0.154 0.000 1.084 174 T HN 0.536 nan 8.240 nan 0.000 0.522 175 D N 1.116 121.565 120.400 0.082 0.000 2.609 175 D HA 0.369 4.994 4.640 -0.024 0.000 0.239 175 D C -3.137 173.184 176.300 0.035 0.000 1.229 175 D CA -1.429 52.613 54.000 0.071 0.000 0.808 175 D CB 2.195 43.047 40.800 0.086 0.000 1.448 175 D HN -0.057 nan 8.370 nan 0.000 0.433 176 P HA 0.060 nan 4.420 nan 0.000 0.268 176 P C -1.588 175.708 177.300 -0.007 0.000 1.208 176 P CA -0.703 62.400 63.100 0.005 0.000 0.777 176 P CB 0.270 31.976 31.700 0.010 0.000 0.875 177 P HA -0.134 nan 4.420 nan 0.000 0.214 177 P C -1.184 176.090 177.300 -0.043 0.000 1.163 177 P CA 2.999 66.058 63.100 -0.068 0.000 0.889 177 P CB -1.690 29.950 31.700 -0.101 0.000 0.790 178 P HA 0.036 nan 4.420 nan 0.000 0.224 178 P C 0.869 178.148 177.300 -0.036 0.000 1.159 178 P CA 0.789 63.876 63.100 -0.022 0.000 0.824 178 P CB -0.003 31.695 31.700 -0.003 0.000 0.833 179 S N 1.271 116.946 115.700 -0.043 0.000 2.516 179 S HA 0.167 4.623 4.470 -0.024 0.000 0.282 179 S C -1.429 173.130 174.600 -0.070 0.000 1.286 179 S CA -1.175 56.997 58.200 -0.045 0.000 1.066 179 S CB 0.209 63.387 63.200 -0.037 0.000 0.884 179 S HN -0.122 nan 8.310 nan 0.000 0.491 180 P HA -0.182 nan 4.420 nan 0.000 0.217 180 P C 1.264 178.516 177.300 -0.081 0.000 1.148 180 P CA 1.139 64.200 63.100 -0.064 0.000 0.834 180 P CB 0.153 31.827 31.700 -0.043 0.000 0.783 181 E N 0.718 120.876 120.200 -0.071 0.000 1.996 181 E HA -0.189 4.146 4.350 -0.024 0.000 0.197 181 E C 0.942 177.461 176.600 -0.134 0.000 1.002 181 E CA 0.671 57.030 56.400 -0.069 0.000 0.840 181 E CB -0.263 29.416 29.700 -0.034 0.000 0.786 181 E HN 0.156 nan 8.360 nan 0.000 0.469 182 R N 1.201 121.584 120.500 -0.194 0.000 3.206 182 R HA 0.078 4.404 4.340 -0.024 0.000 0.209 182 R C 0.387 176.327 176.300 -0.599 0.000 1.632 182 R CA 0.148 55.938 56.100 -0.516 0.000 1.234 182 R CB -0.026 30.007 30.300 -0.446 0.000 1.270 182 R HN 0.088 nan 8.270 nan 0.000 0.665 183 K N 1.103 121.233 120.400 -0.448 0.000 2.444 183 K HA -0.030 4.276 4.320 -0.024 0.000 0.193 183 K C 0.613 176.966 176.600 -0.412 0.000 1.024 183 K CA 0.364 56.445 56.287 -0.344 0.000 1.077 183 K CB 0.094 32.441 32.500 -0.254 0.000 0.833 183 K HN 0.716 nan 8.250 nan 0.000 0.517 184 H N -0.237 118.669 119.070 -0.273 0.000 2.521 184 H HA -0.028 4.514 4.556 -0.023 0.000 0.286 184 H C 0.561 175.730 175.328 -0.265 0.000 1.034 184 H CA 0.301 56.084 56.048 -0.443 0.000 1.278 184 H CB -0.246 29.480 29.762 -0.059 0.000 1.386 184 H HN 0.074 nan 8.280 nan 0.000 0.567 185 Q N 0.283 120.124 119.800 0.070 0.000 2.256 185 Q HA 0.408 4.733 4.340 -0.024 0.000 0.257 185 Q C 0.297 176.323 176.000 0.043 0.000 0.936 185 Q CA -0.067 55.861 55.803 0.208 0.000 0.903 185 Q CB 1.040 29.968 28.738 0.317 0.000 1.263 185 Q HN 0.658 nan 8.270 nan 0.000 0.440 186 G N 3.505 112.346 108.800 0.068 0.000 2.211 186 G HA2 -0.171 3.775 3.960 -0.024 0.000 0.201 186 G HA3 -0.171 3.775 3.960 -0.024 0.000 0.201 186 G C -0.054 174.850 174.900 0.007 0.000 0.997 186 G CA -0.195 44.926 45.100 0.035 0.000 0.652 186 G HN 0.573 nan 8.290 nan 0.000 0.500 187 I N 1.688 122.247 120.570 -0.017 0.000 2.499 187 I HA 0.609 4.765 4.170 -0.024 0.000 0.296 187 I C 0.307 176.403 176.117 -0.034 0.000 0.992 187 I CA -0.489 60.793 61.300 -0.031 0.000 1.297 187 I CB 1.786 39.754 38.000 -0.053 0.000 1.410 187 I HN 0.094 nan 8.210 nan 0.000 0.507 188 S N 2.849 118.502 115.700 -0.078 0.000 2.595 188 S HA 0.797 5.253 4.470 -0.024 0.000 0.281 188 S C -0.753 173.634 174.600 -0.356 0.000 1.117 188 S CA -0.716 57.322 58.200 -0.269 0.000 0.873 188 S CB 2.088 64.996 63.200 -0.488 0.000 1.108 188 S HN 0.716 nan 8.310 nan 0.000 0.477 189 A N 1.309 123.804 122.820 -0.542 0.000 2.337 189 A HA 0.885 5.191 4.320 -0.024 0.000 0.329 189 A C -1.473 175.605 177.584 -0.843 0.000 1.146 189 A CA -0.492 51.267 52.037 -0.464 0.000 0.800 189 A CB 0.286 19.100 19.000 -0.309 0.000 1.220 189 A HN 0.594 nan 8.150 nan 0.000 0.472 190 F N 0.923 120.735 119.950 -0.231 0.000 2.536 190 F HA 0.626 5.138 4.527 -0.024 0.000 0.322 190 F C 0.487 176.163 175.800 -0.207 0.000 1.144 190 F CA -0.361 57.544 58.000 -0.157 0.000 0.924 190 F CB 2.211 41.178 39.000 -0.055 0.000 1.181 190 F HN 0.720 nan 8.300 nan 0.000 0.438 191 A N 4.035 126.795 122.820 -0.099 0.000 2.324 191 A HA 0.968 5.274 4.320 -0.024 0.000 0.330 191 A C -1.215 176.316 177.584 -0.090 0.000 1.165 191 A CA -0.460 51.328 52.037 -0.415 0.000 0.813 191 A CB 0.854 19.409 19.000 -0.742 0.000 1.197 191 A HN 0.800 nan 8.150 nan 0.000 0.484 192 F N -1.181 118.715 119.950 -0.090 0.000 2.842 192 F HA 0.695 5.205 4.527 -0.028 0.000 0.319 192 F C -1.636 174.303 175.800 0.232 0.000 1.159 192 F CA -1.942 56.205 58.000 0.245 0.000 0.902 192 F CB 0.368 39.488 39.000 0.199 0.000 1.311 192 F HN 0.393 nan 8.300 nan 0.000 0.453 193 F N 1.284 121.653 119.950 0.698 0.000 2.371 193 F HA 0.523 5.035 4.527 -0.024 0.000 0.329 193 F C 1.093 177.186 175.800 0.488 0.000 1.107 193 F CA -0.521 57.786 58.000 0.513 0.000 1.137 193 F CB 0.898 40.105 39.000 0.345 0.000 1.214 193 F HN 0.657 nan 8.300 nan 0.000 0.536 194 R N 4.719 125.565 120.500 0.576 0.000 2.638 194 R HA -0.004 4.322 4.340 -0.024 0.000 0.351 194 R C -2.178 174.256 176.300 0.223 0.000 0.871 194 R CA -0.904 55.392 56.100 0.326 0.000 1.091 194 R CB -0.444 30.072 30.300 0.360 0.000 0.900 194 R HN 0.335 nan 8.270 nan 0.000 0.405 195 P HA 0.001 nan 4.420 nan 0.000 0.282 195 P C -0.677 176.641 177.300 0.029 0.000 1.286 195 P CA 0.083 63.202 63.100 0.032 0.000 0.777 195 P CB 0.568 32.204 31.700 -0.107 0.000 1.184 196 E N -1.361 118.848 120.200 0.016 0.000 2.601 196 E HA 0.188 4.524 4.350 -0.024 0.000 0.219 196 E C 0.109 176.711 176.600 0.002 0.000 0.964 196 E CA -0.020 56.390 56.400 0.018 0.000 1.050 196 E CB 0.640 30.354 29.700 0.023 0.000 1.068 196 E HN 0.329 nan 8.360 nan 0.000 0.496 197 R N -0.912 119.580 120.500 -0.013 0.000 2.561 197 R HA 0.394 4.720 4.340 -0.024 0.000 0.266 197 R C -0.021 176.256 176.300 -0.037 0.000 1.091 197 R CA -0.062 56.028 56.100 -0.018 0.000 0.927 197 R CB 1.893 32.187 30.300 -0.010 0.000 1.240 197 R HN 0.161 nan 8.270 nan 0.000 0.449 198 G N 1.195 109.974 108.800 -0.034 0.000 2.194 198 G HA2 -0.238 3.707 3.960 -0.024 0.000 0.236 198 G HA3 -0.238 3.707 3.960 -0.024 0.000 0.236 198 G C -0.634 174.233 174.900 -0.056 0.000 0.987 198 G CA 0.038 45.110 45.100 -0.046 0.000 0.635 198 G HN 0.359 nan 8.290 nan 0.000 0.520 199 L N 1.465 122.655 121.223 -0.055 0.000 2.377 199 L HA 0.682 5.007 4.340 -0.024 0.000 0.270 199 L C -0.205 176.654 176.870 -0.018 0.000 0.991 199 L CA -0.810 53.999 54.840 -0.052 0.000 0.851 199 L CB 1.004 42.996 42.059 -0.110 0.000 1.218 199 L HN 0.139 nan 8.230 nan 0.000 0.420 200 K N 3.811 124.213 120.400 0.003 0.000 2.159 200 K HA 0.632 4.938 4.320 -0.024 0.000 0.266 200 K C -1.082 175.544 176.600 0.045 0.000 0.975 200 K CA -0.869 55.431 56.287 0.022 0.000 0.865 200 K CB 2.427 34.937 32.500 0.016 0.000 1.087 200 K HN 0.286 nan 8.250 nan 0.000 0.446 201 V N 3.005 122.956 119.914 0.061 0.000 2.294 201 V HA 0.190 4.296 4.120 -0.024 0.000 0.272 201 V C 0.823 176.956 176.094 0.065 0.000 1.027 201 V CA -0.785 61.565 62.300 0.082 0.000 0.823 201 V CB 0.768 32.655 31.823 0.107 0.000 1.030 201 V HN 0.971 nan 8.190 nan 0.000 0.457 202 G N 4.809 113.644 108.800 0.058 0.000 2.855 202 G HA2 0.080 4.026 3.960 -0.024 0.000 0.248 202 G HA3 0.080 4.026 3.960 -0.024 0.000 0.248 202 G C 0.266 175.200 174.900 0.057 0.000 1.243 202 G CA -0.477 44.653 45.100 0.051 0.000 0.881 202 G HN 0.551 nan 8.290 nan 0.000 0.598 203 R N 0.248 120.780 120.500 0.052 0.000 2.590 203 R HA 0.077 4.403 4.340 -0.024 0.000 0.274 203 R C 0.563 176.900 176.300 0.062 0.000 1.061 203 R CA -0.036 56.096 56.100 0.053 0.000 1.081 203 R CB 0.424 30.752 30.300 0.047 0.000 0.984 203 R HN 0.515 nan 8.270 nan 0.000 0.448 204 K N 2.054 122.489 120.400 0.058 0.000 2.511 204 K HA -0.103 4.202 4.320 -0.024 0.000 0.280 204 K C 0.305 176.942 176.600 0.061 0.000 1.008 204 K CA 0.433 56.755 56.287 0.058 0.000 1.050 204 K CB 0.278 32.808 32.500 0.049 0.000 0.889 204 K HN 0.310 nan 8.250 nan 0.000 0.484 205 E N 2.963 123.205 120.200 0.071 0.000 2.289 205 E HA 0.009 4.345 4.350 -0.024 0.000 0.278 205 E C -0.683 175.934 176.600 0.030 0.000 1.032 205 E CA -0.165 56.277 56.400 0.070 0.000 0.854 205 E CB 0.637 30.403 29.700 0.110 0.000 1.046 205 E HN 0.202 nan 8.360 nan 0.000 0.409 206 E N 3.606 123.821 120.200 0.024 0.000 2.223 206 E HA 0.165 4.500 4.350 -0.024 0.000 0.282 206 E C -0.462 176.128 176.600 -0.018 0.000 1.046 206 E CA -0.031 56.373 56.400 0.008 0.000 0.857 206 E CB 0.846 30.555 29.700 0.014 0.000 1.055 206 E HN 0.379 nan 8.360 nan 0.000 0.409 207 K N 1.761 122.142 120.400 -0.032 0.000 2.185 207 K HA 0.234 4.540 4.320 -0.024 0.000 0.240 207 K C 1.088 177.664 176.600 -0.039 0.000 0.983 207 K CA -0.850 55.401 56.287 -0.061 0.000 0.873 207 K CB 1.354 33.803 32.500 -0.085 0.000 1.118 207 K HN 0.154 nan 8.250 nan 0.000 0.441 208 L N 0.314 121.510 121.223 -0.045 0.000 2.201 208 L HA 0.041 4.367 4.340 -0.024 0.000 0.212 208 L C 0.527 177.390 176.870 -0.011 0.000 1.105 208 L CA 1.872 56.706 54.840 -0.009 0.000 0.775 208 L CB -0.204 41.858 42.059 0.004 0.000 0.913 208 L HN 0.811 nan 8.230 nan 0.000 0.440 209 G N -2.965 105.809 108.800 -0.043 0.000 2.706 209 G HA2 0.364 4.310 3.960 -0.024 0.000 0.307 209 G HA3 0.364 4.310 3.960 -0.024 0.000 0.307 209 G C -0.493 174.378 174.900 -0.048 0.000 1.307 209 G CA -0.325 44.750 45.100 -0.042 0.000 0.790 209 G HN 0.031 nan 8.290 nan 0.000 0.503 210 L N 0.099 121.296 121.223 -0.042 0.000 3.781 210 L HA -0.281 4.044 4.340 -0.024 0.000 0.426 210 L C 2.133 178.993 176.870 -0.017 0.000 1.197 210 L CA 0.475 55.295 54.840 -0.033 0.000 0.907 210 L CB -2.338 39.693 42.059 -0.047 0.000 1.812 210 L HN 0.712 nan 8.230 nan 0.000 0.956 211 T N -0.344 114.202 114.554 -0.014 0.000 2.565 211 T HA -0.358 3.978 4.350 -0.024 0.000 0.265 211 T C 1.854 176.566 174.700 0.020 0.000 1.082 211 T CA 2.180 64.280 62.100 -0.001 0.000 1.173 211 T CB -0.193 68.673 68.868 -0.003 0.000 0.864 211 T HN 0.698 nan 8.240 nan 0.000 0.425 212 A N 1.772 124.603 122.820 0.019 0.000 2.178 212 A HA 0.110 4.416 4.320 -0.024 0.000 0.218 212 A C 1.551 179.193 177.584 0.097 0.000 1.157 212 A CA 0.859 52.920 52.037 0.041 0.000 0.689 212 A CB -0.779 18.215 19.000 -0.009 0.000 0.787 212 A HN 0.632 nan 8.150 nan 0.000 0.465 213 S N 0.091 115.836 115.700 0.075 0.000 2.564 213 S HA 0.324 4.779 4.470 -0.024 0.000 0.278 213 S C -0.454 174.217 174.600 0.118 0.000 1.333 213 S CA -0.410 57.859 58.200 0.116 0.000 1.048 213 S CB 1.031 64.264 63.200 0.054 0.000 0.900 213 S HN 0.303 nan 8.310 nan 0.000 0.505 214 D N 1.495 121.969 120.400 0.124 0.000 2.316 214 D HA 0.390 5.015 4.640 -0.024 0.000 0.245 214 D C -0.880 175.418 176.300 -0.004 0.000 1.171 214 D CA 0.052 54.039 54.000 -0.023 0.000 0.856 214 D CB 0.645 41.261 40.800 -0.308 0.000 1.090 214 D HN 0.558 nan 8.370 nan 0.000 0.476 215 T N 2.618 117.183 114.554 0.018 0.000 2.881 215 T HA 0.757 5.092 4.350 -0.024 0.000 0.291 215 T C -0.739 174.011 174.700 0.085 0.000 0.990 215 T CA -0.664 61.471 62.100 0.057 0.000 0.976 215 T CB 1.435 70.330 68.868 0.045 0.000 0.970 215 T HN 0.456 nan 8.240 nan 0.000 0.438 216 A N 2.676 125.559 122.820 0.105 0.000 2.566 216 A HA 0.813 5.118 4.320 -0.024 0.000 0.292 216 A C -1.002 176.652 177.584 0.118 0.000 1.112 216 A CA -0.890 51.212 52.037 0.109 0.000 0.707 216 A CB 1.721 20.768 19.000 0.079 0.000 1.302 216 A HN 0.680 nan 8.150 nan 0.000 0.409 217 Q N 0.387 120.243 119.800 0.093 0.000 2.235 217 Q HA 0.660 4.985 4.340 -0.024 0.000 0.250 217 Q C -1.622 174.414 176.000 0.059 0.000 0.909 217 Q CA -0.384 55.449 55.803 0.051 0.000 0.910 217 Q CB 0.824 29.576 28.738 0.023 0.000 1.223 217 Q HN 0.660 nan 8.270 nan 0.000 0.432 218 L N 5.167 126.419 121.223 0.048 0.000 2.333 218 L HA 0.545 4.870 4.340 -0.024 0.000 0.280 218 L C -0.643 176.246 176.870 0.030 0.000 1.004 218 L CA -0.700 54.181 54.840 0.068 0.000 0.820 218 L CB 1.597 43.726 42.059 0.115 0.000 1.247 218 L HN 0.606 nan 8.230 nan 0.000 0.416 219 I N 4.417 125.002 120.570 0.025 0.000 2.389 219 I HA 0.299 4.455 4.170 -0.024 0.000 0.288 219 I C -0.944 175.173 176.117 -0.001 0.000 0.999 219 I CA -0.636 60.667 61.300 0.006 0.000 1.129 219 I CB 1.943 39.946 38.000 0.004 0.000 1.288 219 I HN 0.327 nan 8.210 nan 0.000 0.444 220 L N 6.840 128.057 121.223 -0.010 0.000 2.283 220 L HA 0.337 4.663 4.340 -0.024 0.000 0.281 220 L C 0.015 176.869 176.870 -0.028 0.000 1.033 220 L CA -0.196 54.630 54.840 -0.023 0.000 0.848 220 L CB 0.577 42.620 42.059 -0.026 0.000 1.226 220 L HN 0.426 nan 8.230 nan 0.000 0.429 221 E N 3.700 123.885 120.200 -0.026 0.000 2.081 221 E HA 0.145 4.480 4.350 -0.024 0.000 0.281 221 E C -0.615 175.970 176.600 -0.024 0.000 0.986 221 E CA -0.395 55.993 56.400 -0.021 0.000 0.796 221 E CB 0.889 30.579 29.700 -0.016 0.000 1.085 221 E HN 0.431 nan 8.360 nan 0.000 0.398 222 D N 2.024 122.412 120.400 -0.020 0.000 2.971 222 D HA -0.227 4.399 4.640 -0.024 0.000 0.212 222 D C -0.361 175.931 176.300 -0.012 0.000 1.243 222 D CA 0.575 54.569 54.000 -0.011 0.000 0.781 222 D CB -0.541 40.257 40.800 -0.004 0.000 0.894 222 D HN 0.193 nan 8.370 nan 0.000 0.392 223 L N 2.260 123.458 121.223 -0.043 0.000 2.272 223 L HA 0.487 4.812 4.340 -0.024 0.000 0.289 223 L C -0.835 175.991 176.870 -0.073 0.000 1.032 223 L CA -0.720 54.068 54.840 -0.085 0.000 0.810 223 L CB 1.052 43.007 42.059 -0.173 0.000 1.205 223 L HN 0.088 nan 8.230 nan 0.000 0.422 224 F N 6.247 126.102 119.950 -0.157 0.000 2.404 224 F HA 0.692 5.204 4.527 -0.026 0.000 0.345 224 F C -0.741 174.966 175.800 -0.154 0.000 1.110 224 F CA -0.382 57.547 58.000 -0.118 0.000 1.130 224 F CB 1.102 40.058 39.000 -0.073 0.000 1.129 224 F HN 0.270 nan 8.300 nan 0.000 0.500 225 V N 7.212 126.498 119.914 -1.047 0.000 2.709 225 V HA 0.455 4.560 4.120 -0.024 0.000 0.308 225 V C -2.155 173.445 176.094 -0.823 0.000 1.062 225 V CA -2.051 59.813 62.300 -0.726 0.000 0.901 225 V CB 1.615 33.226 31.823 -0.354 0.000 1.003 225 V HN 0.686 nan 8.190 nan 0.000 0.425 226 P HA -0.006 nan 4.420 nan 0.000 0.271 226 P C 0.431 177.789 177.300 0.097 0.000 1.233 226 P CA 0.214 63.261 63.100 -0.090 0.000 0.795 226 P CB 1.359 33.122 31.700 0.105 0.000 0.936 227 E N 0.420 120.710 120.200 0.151 0.000 2.204 227 E HA -0.183 4.153 4.350 -0.024 0.000 0.195 227 E C 1.352 178.125 176.600 0.289 0.000 0.990 227 E CA 1.325 57.861 56.400 0.227 0.000 0.821 227 E CB -0.475 29.309 29.700 0.139 0.000 0.750 227 E HN 0.493 nan 8.360 nan 0.000 0.477 228 E N -0.686 119.650 120.200 0.227 0.000 2.505 228 E HA 0.007 4.343 4.350 -0.024 0.000 0.197 228 E C 1.220 177.980 176.600 0.266 0.000 1.111 228 E CA 0.336 56.870 56.400 0.223 0.000 0.887 228 E CB 0.251 30.069 29.700 0.196 0.000 0.913 228 E HN 0.278 nan 8.360 nan 0.000 0.517 229 A N 0.962 123.969 122.820 0.311 0.000 1.956 229 A HA 0.079 4.385 4.320 -0.024 0.000 0.212 229 A C 1.162 178.844 177.584 0.164 0.000 1.188 229 A CA -0.263 51.974 52.037 0.333 0.000 0.675 229 A CB 0.006 19.268 19.000 0.437 0.000 0.845 229 A HN 0.310 nan 8.150 nan 0.000 0.455 230 L N 1.423 122.698 121.223 0.087 0.000 2.628 230 L HA 0.075 4.400 4.340 -0.024 0.000 0.274 230 L C -0.714 176.007 176.870 -0.249 0.000 1.209 230 L CA -0.116 54.504 54.840 -0.367 0.000 0.930 230 L CB 0.487 42.461 42.059 -0.142 0.000 1.183 230 L HN 0.367 nan 8.230 nan 0.000 0.492 231 L N 6.608 127.593 121.223 -0.398 0.000 2.262 231 L HA 0.707 5.032 4.340 -0.024 0.000 0.288 231 L C 0.305 177.074 176.870 -0.168 0.000 1.035 231 L CA 0.988 55.681 54.840 -0.245 0.000 0.820 231 L CB 0.592 42.439 42.059 -0.355 0.000 1.204 231 L HN 0.834 nan 8.230 nan 0.000 0.424 232 G N 4.049 112.809 108.800 -0.068 0.000 2.660 232 G HA2 -0.168 3.778 3.960 -0.024 0.000 0.215 232 G HA3 -0.168 3.778 3.960 -0.024 0.000 0.215 232 G C -0.624 174.265 174.900 -0.018 0.000 1.345 232 G CA -0.432 44.660 45.100 -0.013 0.000 0.877 232 G HN 0.678 nan 8.290 nan 0.000 0.549 233 E N 0.407 120.618 120.200 0.017 0.000 2.313 233 E HA 0.335 4.671 4.350 -0.024 0.000 0.276 233 E C 0.988 177.599 176.600 0.017 0.000 1.031 233 E CA -0.598 55.822 56.400 0.033 0.000 0.857 233 E CB 0.990 30.724 29.700 0.058 0.000 1.040 233 E HN 0.605 nan 8.360 nan 0.000 0.408 234 R N 1.573 122.090 120.500 0.028 0.000 2.537 234 R HA -0.023 4.303 4.340 -0.024 0.000 0.281 234 R C 0.739 177.072 176.300 0.055 0.000 0.988 234 R CA 1.247 57.358 56.100 0.019 0.000 1.077 234 R CB -0.135 30.246 30.300 0.134 0.000 0.932 234 R HN 0.852 nan 8.270 nan 0.000 0.409 235 G N 3.650 112.466 108.800 0.027 0.000 2.153 235 G HA2 -0.254 3.692 3.960 -0.024 0.000 0.252 235 G HA3 -0.254 3.692 3.960 -0.024 0.000 0.252 235 G C 0.254 175.250 174.900 0.159 0.000 0.994 235 G CA 0.515 45.663 45.100 0.079 0.000 0.698 235 G HN 0.634 nan 8.290 nan 0.000 0.521 236 K N -0.496 119.998 120.400 0.157 0.000 2.520 236 K HA 0.267 4.573 4.320 -0.024 0.000 0.206 236 K C 2.056 178.795 176.600 0.231 0.000 1.122 236 K CA 0.515 57.001 56.287 0.333 0.000 1.045 236 K CB 0.500 33.163 32.500 0.272 0.000 0.932 236 K HN 0.338 nan 8.250 nan 0.000 0.571 237 G N 0.546 109.392 108.800 0.077 0.000 2.443 237 G HA2 -0.242 3.704 3.960 -0.024 0.000 0.219 237 G HA3 -0.242 3.704 3.960 -0.024 0.000 0.219 237 G C 1.228 176.153 174.900 0.041 0.000 1.131 237 G CA 0.191 45.328 45.100 0.062 0.000 0.775 237 G HN 0.209 nan 8.290 nan 0.000 0.547 238 F N 0.911 120.717 119.950 -0.239 0.000 2.234 238 F HA 0.018 4.534 4.527 -0.019 0.000 0.299 238 F C 2.248 177.843 175.800 -0.342 0.000 1.087 238 F CA 0.608 58.415 58.000 -0.322 0.000 1.340 238 F CB -0.147 38.591 39.000 -0.438 0.000 1.031 238 F HN 0.278 nan 8.300 nan 0.000 0.500 239 Y N -0.274 119.998 120.300 -0.047 0.000 2.352 239 Y HA -0.173 4.364 4.550 -0.020 0.000 0.292 239 Y C 2.196 177.973 175.900 -0.205 0.000 1.136 239 Y CA 0.953 58.958 58.100 -0.158 0.000 1.227 239 Y CB -0.586 37.830 38.460 -0.074 0.000 0.991 239 Y HN 0.015 nan 8.280 nan 0.000 0.545 240 D N -0.497 119.865 120.400 -0.063 0.000 2.234 240 D HA -0.098 4.528 4.640 -0.024 0.000 0.205 240 D C 2.290 178.385 176.300 -0.342 0.000 0.962 240 D CA 0.756 54.661 54.000 -0.159 0.000 0.855 240 D CB -0.182 40.568 40.800 -0.084 0.000 0.951 240 D HN 0.179 nan 8.370 nan 0.000 0.500 241 V N 1.519 121.233 119.914 -0.333 0.000 2.287 241 V HA -0.236 3.869 4.120 -0.024 0.000 0.248 241 V C 2.677 178.586 176.094 -0.308 0.000 1.053 241 V CA 1.238 63.386 62.300 -0.255 0.000 1.027 241 V CB -0.499 31.147 31.823 -0.295 0.000 0.646 241 V HN 0.202 nan 8.190 nan 0.000 0.447 242 L N -0.640 120.310 121.223 -0.454 0.000 2.012 242 L HA -0.221 4.104 4.340 -0.024 0.000 0.210 242 L C 2.791 179.498 176.870 -0.272 0.000 1.073 242 L CA 1.822 56.449 54.840 -0.354 0.000 0.748 242 L CB -0.740 41.114 42.059 -0.342 0.000 0.891 242 L HN 0.258 nan 8.230 nan 0.000 0.431 243 R N -0.401 119.944 120.500 -0.258 0.000 2.081 243 R HA -0.131 4.194 4.340 -0.024 0.000 0.235 243 R C 2.269 178.432 176.300 -0.229 0.000 1.131 243 R CA 1.315 57.272 56.100 -0.238 0.000 0.960 243 R CB -0.596 29.597 30.300 -0.178 0.000 0.856 243 R HN 0.200 nan 8.270 nan 0.000 0.436 244 V N 1.742 121.481 119.914 -0.291 0.000 2.332 244 V HA -0.247 3.858 4.120 -0.024 0.000 0.248 244 V C 2.370 178.258 176.094 -0.343 0.000 1.055 244 V CA 1.705 63.788 62.300 -0.361 0.000 1.038 244 V CB -0.446 31.042 31.823 -0.558 0.000 0.651 244 V HN 0.281 nan 8.190 nan 0.000 0.450 245 L N -0.346 120.697 121.223 -0.300 0.000 2.017 245 L HA -0.199 4.127 4.340 -0.024 0.000 0.208 245 L C 2.449 179.234 176.870 -0.142 0.000 1.073 245 L CA 1.684 56.395 54.840 -0.215 0.000 0.745 245 L CB -0.873 41.115 42.059 -0.119 0.000 0.894 245 L HN 0.327 nan 8.230 nan 0.000 0.432 246 D N 0.267 120.572 120.400 -0.158 0.000 2.133 246 D HA -0.186 4.439 4.640 -0.024 0.000 0.192 246 D C 2.077 178.428 176.300 0.085 0.000 1.001 246 D CA 1.707 55.630 54.000 -0.128 0.000 0.844 246 D CB -0.458 40.083 40.800 -0.433 0.000 0.944 246 D HN 0.394 nan 8.370 nan 0.000 0.447 247 G N 0.246 109.103 108.800 0.096 0.000 2.418 247 G HA2 -0.169 3.777 3.960 -0.024 0.000 0.217 247 G HA3 -0.169 3.777 3.960 -0.024 0.000 0.217 247 G C 1.736 176.657 174.900 0.033 0.000 1.158 247 G CA 1.129 46.318 45.100 0.149 0.000 0.771 247 G HN 0.413 nan 8.290 nan 0.000 0.545 248 G N 0.676 109.431 108.800 -0.074 0.000 2.446 248 G HA2 -0.218 3.727 3.960 -0.024 0.000 0.217 248 G HA3 -0.218 3.727 3.960 -0.024 0.000 0.217 248 G C 1.941 176.812 174.900 -0.048 0.000 1.168 248 G CA 0.929 45.971 45.100 -0.096 0.000 0.771 248 G HN 0.454 nan 8.290 nan 0.000 0.551 249 R N -0.052 120.432 120.500 -0.026 0.000 2.117 249 R HA -0.023 4.303 4.340 -0.024 0.000 0.243 249 R C 2.569 178.870 176.300 0.001 0.000 1.143 249 R CA 1.261 57.357 56.100 -0.006 0.000 0.968 249 R CB -0.429 29.880 30.300 0.014 0.000 0.863 249 R HN 0.406 nan 8.270 nan 0.000 0.444 250 I N -0.120 120.471 120.570 0.035 0.000 2.208 250 I HA -0.214 3.942 4.170 -0.024 0.000 0.245 250 I C 2.533 178.570 176.117 -0.134 0.000 1.097 250 I CA 1.538 62.846 61.300 0.012 0.000 1.363 250 I CB -0.706 37.329 38.000 0.058 0.000 1.051 250 I HN 0.346 nan 8.210 nan 0.000 0.413 251 G N 1.385 110.114 108.800 -0.120 0.000 2.421 251 G HA2 -0.184 3.761 3.960 -0.024 0.000 0.216 251 G HA3 -0.184 3.761 3.960 -0.024 0.000 0.216 251 G C 1.577 176.332 174.900 -0.241 0.000 1.171 251 G CA 0.364 45.325 45.100 -0.232 0.000 0.775 251 G HN 0.170 nan 8.290 nan 0.000 0.543 252 I N 2.013 122.496 120.570 -0.146 0.000 2.286 252 I HA -0.136 4.020 4.170 -0.024 0.000 0.248 252 I C 3.237 179.271 176.117 -0.138 0.000 1.115 252 I CA 1.106 62.331 61.300 -0.125 0.000 1.392 252 I CB -1.335 36.620 38.000 -0.075 0.000 1.065 252 I HN 0.259 nan 8.210 nan 0.000 0.418 253 A N 0.985 123.729 122.820 -0.127 0.000 1.908 253 A HA -0.140 4.165 4.320 -0.024 0.000 0.218 253 A C 2.580 180.046 177.584 -0.197 0.000 1.181 253 A CA 2.105 54.092 52.037 -0.084 0.000 0.627 253 A CB -0.771 18.241 19.000 0.020 0.000 0.818 253 A HN 0.416 nan 8.150 nan 0.000 0.445 254 A N -0.830 121.689 122.820 -0.503 0.000 1.930 254 A HA -0.096 4.209 4.320 -0.024 0.000 0.217 254 A C 2.259 179.651 177.584 -0.320 0.000 1.175 254 A CA 1.777 53.387 52.037 -0.713 0.000 0.627 254 A CB -0.527 17.847 19.000 -1.043 0.000 0.815 254 A HN 0.614 nan 8.150 nan 0.000 0.443 255 M N -0.263 119.178 119.600 -0.266 0.000 2.080 255 M HA -0.173 4.292 4.480 -0.024 0.000 0.260 255 M C 2.314 178.532 176.300 -0.136 0.000 1.068 255 M CA 1.816 57.009 55.300 -0.179 0.000 1.109 255 M CB -0.306 32.200 32.600 -0.157 0.000 1.342 255 M HN 0.432 nan 8.290 nan 0.000 0.405 256 A N -0.228 122.518 122.820 -0.122 0.000 1.865 256 A HA -0.153 4.153 4.320 -0.024 0.000 0.217 256 A C 2.043 179.584 177.584 -0.072 0.000 1.191 256 A CA 2.084 54.063 52.037 -0.098 0.000 0.623 256 A CB -1.274 17.680 19.000 -0.077 0.000 0.826 256 A HN 0.432 nan 8.150 nan 0.000 0.444 257 V N 0.031 119.930 119.914 -0.026 0.000 2.332 257 V HA -0.234 3.872 4.120 -0.024 0.000 0.248 257 V C 2.813 178.906 176.094 -0.001 0.000 1.055 257 V CA 2.070 64.390 62.300 0.033 0.000 1.038 257 V CB -1.556 30.364 31.823 0.162 0.000 0.651 257 V HN 0.650 nan 8.190 nan 0.000 0.450 258 G N -0.297 108.486 108.800 -0.029 0.000 2.459 258 G HA2 -0.247 3.699 3.960 -0.024 0.000 0.217 258 G HA3 -0.247 3.699 3.960 -0.024 0.000 0.217 258 G C 1.598 176.413 174.900 -0.142 0.000 1.183 258 G CA 1.176 46.261 45.100 -0.025 0.000 0.776 258 G HN 0.463 nan 8.290 nan 0.000 0.552 259 L N 0.763 121.872 121.223 -0.189 0.000 2.017 259 L HA -0.004 4.322 4.340 -0.024 0.000 0.208 259 L C 3.209 179.889 176.870 -0.317 0.000 1.073 259 L CA 1.168 55.829 54.840 -0.298 0.000 0.745 259 L CB -0.671 41.271 42.059 -0.194 0.000 0.894 259 L HN 0.338 nan 8.230 nan 0.000 0.432 260 G N -1.081 107.617 108.800 -0.171 0.000 2.418 260 G HA2 -0.333 3.613 3.960 -0.024 0.000 0.217 260 G HA3 -0.333 3.613 3.960 -0.024 0.000 0.217 260 G C 1.510 176.343 174.900 -0.111 0.000 1.158 260 G CA 0.719 45.751 45.100 -0.114 0.000 0.771 260 G HN 0.278 nan 8.290 nan 0.000 0.545 261 Q N 0.688 120.443 119.800 -0.076 0.000 2.124 261 Q HA 0.114 4.439 4.340 -0.024 0.000 0.202 261 Q C 2.669 178.622 176.000 -0.079 0.000 0.977 261 Q CA 1.858 57.667 55.803 0.010 0.000 0.850 261 Q CB -0.575 28.246 28.738 0.138 0.000 0.901 261 Q HN 0.374 nan 8.270 nan 0.000 0.429 262 A N 0.343 122.876 122.820 -0.478 0.000 1.858 262 A HA -0.095 4.210 4.320 -0.024 0.000 0.216 262 A C 2.322 179.581 177.584 -0.542 0.000 1.190 262 A CA 2.049 53.482 52.037 -1.006 0.000 0.617 262 A CB -1.366 16.641 19.000 -1.655 0.000 0.827 262 A HN 0.524 nan 8.150 nan 0.000 0.443 263 A N -0.553 121.952 122.820 -0.525 0.000 1.908 263 A HA -0.095 4.211 4.320 -0.024 0.000 0.218 263 A C 2.172 179.812 177.584 0.094 0.000 1.181 263 A CA 1.922 53.934 52.037 -0.041 0.000 0.627 263 A CB -0.682 18.341 19.000 0.039 0.000 0.818 263 A HN 0.797 nan 8.150 nan 0.000 0.445 264 L N 0.084 121.327 121.223 0.033 0.000 2.017 264 L HA -0.148 4.178 4.340 -0.024 0.000 0.208 264 L C 1.626 178.565 176.870 0.116 0.000 1.073 264 L CA 2.645 57.535 54.840 0.082 0.000 0.745 264 L CB -0.786 41.307 42.059 0.057 0.000 0.894 264 L HN 0.326 nan 8.230 nan 0.000 0.432 265 D N -1.464 119.002 120.400 0.109 0.000 2.149 265 D HA -0.256 4.370 4.640 -0.024 0.000 0.198 265 D C 2.011 178.406 176.300 0.159 0.000 0.990 265 D CA 1.655 55.737 54.000 0.137 0.000 0.839 265 D CB -0.332 40.584 40.800 0.194 0.000 0.948 265 D HN 0.504 nan 8.370 nan 0.000 0.460 266 Y N 1.254 121.610 120.300 0.092 0.000 2.145 266 Y HA -0.177 4.359 4.550 -0.023 0.000 0.286 266 Y C 2.352 178.345 175.900 0.154 0.000 1.145 266 Y CA 1.856 60.041 58.100 0.141 0.000 1.148 266 Y CB -0.221 38.359 38.460 0.200 0.000 0.981 266 Y HN -0.040 nan 8.280 nan 0.000 0.507 267 A N 0.149 123.181 122.820 0.353 0.000 1.972 267 A HA -0.160 4.145 4.320 -0.024 0.000 0.219 267 A C 2.206 179.909 177.584 0.198 0.000 1.169 267 A CA 1.490 53.697 52.037 0.284 0.000 0.635 267 A CB -1.008 18.125 19.000 0.222 0.000 0.810 267 A HN 0.543 nan 8.150 nan 0.000 0.446 268 L N -0.276 121.030 121.223 0.137 0.000 1.994 268 L HA -0.155 4.171 4.340 -0.024 0.000 0.208 268 L C 2.760 179.659 176.870 0.048 0.000 1.071 268 L CA 2.486 57.377 54.840 0.086 0.000 0.745 268 L CB -1.417 40.685 42.059 0.071 0.000 0.892 268 L HN 0.413 nan 8.230 nan 0.000 0.431 269 A N -1.116 121.718 122.820 0.023 0.000 1.877 269 A HA -0.313 3.992 4.320 -0.024 0.000 0.216 269 A C 2.203 179.760 177.584 -0.045 0.000 1.186 269 A CA 1.757 53.774 52.037 -0.033 0.000 0.620 269 A CB -1.149 17.801 19.000 -0.084 0.000 0.822 269 A HN 0.580 nan 8.150 nan 0.000 0.443 270 Y N 0.671 120.885 120.300 -0.143 0.000 2.070 270 Y HA -0.174 4.361 4.550 -0.023 0.000 0.280 270 Y C 2.732 178.599 175.900 -0.056 0.000 1.148 270 Y CA 1.611 59.642 58.100 -0.114 0.000 1.125 270 Y CB -0.737 37.690 38.460 -0.055 0.000 0.975 270 Y HN 0.311 nan 8.280 nan 0.000 0.492 271 A N 0.169 123.000 122.820 0.017 0.000 1.948 271 A HA -0.292 4.014 4.320 -0.024 0.000 0.220 271 A C 2.313 179.815 177.584 -0.138 0.000 1.177 271 A CA 2.160 54.168 52.037 -0.049 0.000 0.636 271 A CB -0.854 18.185 19.000 0.066 0.000 0.815 271 A HN 0.562 nan 8.150 nan 0.000 0.449 272 K N -0.986 119.349 120.400 -0.108 0.000 2.147 272 K HA -0.086 4.220 4.320 -0.024 0.000 0.205 272 K C 1.945 178.452 176.600 -0.155 0.000 1.049 272 K CA 1.270 57.491 56.287 -0.109 0.000 0.936 272 K CB -0.348 32.109 32.500 -0.071 0.000 0.722 272 K HN 0.437 nan 8.250 nan 0.000 0.446 273 G N 0.681 109.351 108.800 -0.217 0.000 2.471 273 G HA2 -0.125 3.820 3.960 -0.024 0.000 0.211 273 G HA3 -0.125 3.820 3.960 -0.024 0.000 0.211 273 G C 0.209 174.928 174.900 -0.302 0.000 1.194 273 G CA -0.268 44.690 45.100 -0.236 0.000 0.816 273 G HN 0.185 nan 8.290 nan 0.000 0.545 274 R N 2.402 122.588 120.500 -0.523 0.000 2.494 274 R HA 0.088 4.414 4.340 -0.024 0.000 0.291 274 R C 0.200 176.347 176.300 -0.254 0.000 0.953 274 R CA 0.279 56.079 56.100 -0.500 0.000 1.098 274 R CB -0.240 29.521 30.300 -0.899 0.000 0.911 274 R HN 0.612 nan 8.270 nan 0.000 0.407 275 E N 3.036 123.143 120.200 -0.155 0.000 2.221 275 E HA 0.723 5.058 4.350 -0.024 0.000 0.268 275 E C -1.339 175.256 176.600 -0.007 0.000 0.933 275 E CA -1.302 55.046 56.400 -0.088 0.000 0.809 275 E CB 1.858 31.510 29.700 -0.081 0.000 1.190 275 E HN 0.571 nan 8.360 nan 0.000 0.406 276 A N 1.863 124.730 122.820 0.078 0.000 2.513 276 A HA 0.506 4.812 4.320 -0.024 0.000 0.296 276 A C -0.764 177.093 177.584 0.455 0.000 1.052 276 A CA -0.870 51.283 52.037 0.193 0.000 0.714 276 A CB 0.176 19.424 19.000 0.413 0.000 1.279 276 A HN 0.704 nan 8.150 nan 0.000 0.397 277 F N 0.803 120.851 119.950 0.163 0.000 3.080 277 F HA -0.165 4.347 4.527 -0.024 0.000 0.292 277 F C 1.607 177.485 175.800 0.129 0.000 0.891 277 F CA 1.651 59.751 58.000 0.166 0.000 1.086 277 F CB -1.294 37.863 39.000 0.262 0.000 1.095 277 F HN 2.283 nan 8.300 nan 0.000 0.633 278 G N 0.217 109.109 108.800 0.154 0.000 2.143 278 G HA2 -0.238 3.707 3.960 -0.024 0.000 0.249 278 G HA3 -0.238 3.707 3.960 -0.024 0.000 0.249 278 G C 0.112 175.039 174.900 0.046 0.000 0.981 278 G CA 0.369 45.521 45.100 0.086 0.000 0.665 278 G HN 1.107 nan 8.290 nan 0.000 0.528 279 R N -2.160 118.350 120.500 0.017 0.000 2.709 279 R HA 0.571 4.897 4.340 -0.024 0.000 0.270 279 R C -3.512 172.653 176.300 -0.225 0.000 1.038 279 R CA -1.988 54.046 56.100 -0.110 0.000 0.872 279 R CB 0.315 30.525 30.300 -0.150 0.000 1.259 279 R HN -0.003 nan 8.270 nan 0.000 0.473 280 P HA -0.004 nan 4.420 nan 0.000 0.262 280 P C 0.541 177.599 177.300 -0.404 0.000 1.182 280 P CA 0.040 62.991 63.100 -0.249 0.000 0.761 280 P CB 0.454 32.038 31.700 -0.194 0.000 0.795 281 I N 3.099 123.510 120.570 -0.265 0.000 2.657 281 I HA -0.297 3.859 4.170 -0.024 0.000 0.261 281 I C 1.594 177.611 176.117 -0.166 0.000 1.212 281 I CA 1.299 62.492 61.300 -0.178 0.000 1.453 281 I CB 0.015 38.078 38.000 0.105 0.000 1.092 281 I HN 0.347 nan 8.210 nan 0.000 0.452 282 A N -0.031 122.688 122.820 -0.169 0.000 2.066 282 A HA -0.134 4.171 4.320 -0.024 0.000 0.218 282 A C 2.015 179.531 177.584 -0.113 0.000 1.157 282 A CA 0.999 52.987 52.037 -0.081 0.000 0.670 282 A CB -0.410 18.553 19.000 -0.062 0.000 0.804 282 A HN 0.555 nan 8.150 nan 0.000 0.453 283 E N -1.055 118.979 120.200 -0.277 0.000 2.511 283 E HA 0.038 4.373 4.350 -0.024 0.000 0.196 283 E C -0.724 175.794 176.600 -0.135 0.000 1.066 283 E CA -0.082 56.178 56.400 -0.232 0.000 0.871 283 E CB -0.065 29.454 29.700 -0.301 0.000 0.863 283 E HN 0.716 nan 8.360 nan 0.000 0.520 284 F N 0.974 120.906 119.950 -0.029 0.000 2.404 284 F HA 0.145 4.657 4.527 -0.024 0.000 0.345 284 F C 1.577 177.312 175.800 -0.107 0.000 1.110 284 F CA -0.878 57.075 58.000 -0.078 0.000 1.130 284 F CB 1.091 40.046 39.000 -0.075 0.000 1.129 284 F HN -0.118 nan 8.300 nan 0.000 0.500 285 E N 2.410 122.600 120.200 -0.017 0.000 2.153 285 E HA -0.151 4.185 4.350 -0.024 0.000 0.194 285 E C 2.240 178.637 176.600 -0.338 0.000 0.988 285 E CA 0.967 57.163 56.400 -0.340 0.000 0.811 285 E CB -0.122 29.128 29.700 -0.751 0.000 0.746 285 E HN 1.020 nan 8.360 nan 0.000 0.466 286 G N 1.089 109.786 108.800 -0.171 0.000 2.450 286 G HA2 -0.225 3.721 3.960 -0.024 0.000 0.220 286 G HA3 -0.225 3.721 3.960 -0.024 0.000 0.220 286 G C 1.683 176.608 174.900 0.041 0.000 1.130 286 G CA 0.799 45.849 45.100 -0.083 0.000 0.760 286 G HN 0.141 nan 8.290 nan 0.000 0.557 287 V N 1.229 121.201 119.914 0.098 0.000 2.492 287 V HA -0.087 4.019 4.120 -0.024 0.000 0.241 287 V C 3.126 179.310 176.094 0.151 0.000 1.041 287 V CA 1.841 64.222 62.300 0.134 0.000 1.057 287 V CB -0.105 31.807 31.823 0.148 0.000 0.711 287 V HN 0.542 nan 8.190 nan 0.000 0.468 288 S N 0.563 116.358 115.700 0.160 0.000 2.370 288 S HA -0.212 4.244 4.470 -0.024 0.000 0.226 288 S C 1.964 176.762 174.600 0.330 0.000 1.033 288 S CA 1.505 59.833 58.200 0.212 0.000 1.011 288 S CB -0.758 62.574 63.200 0.220 0.000 0.852 288 S HN 0.364 nan 8.310 nan 0.000 0.457 289 F N 2.606 122.585 119.950 0.048 0.000 2.171 289 F HA 0.081 4.593 4.527 -0.024 0.000 0.300 289 F C 2.415 178.240 175.800 0.042 0.000 1.090 289 F CA 0.534 58.558 58.000 0.040 0.000 1.293 289 F CB -0.668 38.354 39.000 0.036 0.000 1.013 289 F HN 0.233 nan 8.300 nan 0.000 0.486 290 K N 0.030 120.577 120.400 0.245 0.000 2.057 290 K HA -0.138 4.168 4.320 -0.024 0.000 0.207 290 K C 2.134 178.805 176.600 0.118 0.000 1.049 290 K CA 1.273 57.651 56.287 0.152 0.000 0.931 290 K CB -0.529 32.050 32.500 0.130 0.000 0.714 290 K HN 0.255 nan 8.250 nan 0.000 0.440 291 L N 0.658 121.956 121.223 0.125 0.000 2.017 291 L HA -0.205 4.121 4.340 -0.024 0.000 0.208 291 L C 2.673 179.587 176.870 0.073 0.000 1.073 291 L CA 1.270 56.168 54.840 0.098 0.000 0.745 291 L CB -0.690 41.428 42.059 0.099 0.000 0.894 291 L HN 0.214 nan 8.230 nan 0.000 0.432 292 A N -0.044 122.817 122.820 0.068 0.000 1.883 292 A HA -0.243 4.063 4.320 -0.024 0.000 0.217 292 A C 2.169 179.759 177.584 0.010 0.000 1.186 292 A CA 1.863 53.912 52.037 0.021 0.000 0.624 292 A CB -0.526 18.458 19.000 -0.027 0.000 0.822 292 A HN 0.451 nan 8.150 nan 0.000 0.444 293 E N -0.381 119.830 120.200 0.018 0.000 2.038 293 E HA -0.141 4.194 4.350 -0.024 0.000 0.195 293 E C 2.370 178.992 176.600 0.036 0.000 1.000 293 E CA 1.097 57.510 56.400 0.020 0.000 0.803 293 E CB -0.318 29.403 29.700 0.034 0.000 0.750 293 E HN 0.615 nan 8.360 nan 0.000 0.448 294 A N 1.431 124.278 122.820 0.044 0.000 1.877 294 A HA -0.163 4.143 4.320 -0.024 0.000 0.216 294 A C 2.398 180.008 177.584 0.043 0.000 1.186 294 A CA 1.844 53.906 52.037 0.042 0.000 0.620 294 A CB -0.808 18.222 19.000 0.051 0.000 0.822 294 A HN 0.311 nan 8.150 nan 0.000 0.443 295 A N -0.902 121.943 122.820 0.042 0.000 1.865 295 A HA -0.142 4.164 4.320 -0.024 0.000 0.217 295 A C 2.339 179.945 177.584 0.036 0.000 1.191 295 A CA 2.526 54.585 52.037 0.037 0.000 0.623 295 A CB -1.473 17.544 19.000 0.029 0.000 0.826 295 A HN 0.448 nan 8.150 nan 0.000 0.444 296 T N -0.122 114.451 114.554 0.031 0.000 2.652 296 T HA -0.169 4.167 4.350 -0.024 0.000 0.267 296 T C 1.810 176.560 174.700 0.083 0.000 1.039 296 T CA 1.802 63.922 62.100 0.034 0.000 1.153 296 T CB -0.318 68.562 68.868 0.020 0.000 0.863 296 T HN 0.657 nan 8.240 nan 0.000 0.428 297 E N 0.533 120.803 120.200 0.116 0.000 2.072 297 E HA -0.021 4.315 4.350 -0.024 0.000 0.191 297 E C 2.238 178.981 176.600 0.239 0.000 0.985 297 E CA 0.732 57.269 56.400 0.229 0.000 0.801 297 E CB -0.246 29.521 29.700 0.112 0.000 0.750 297 E HN 0.398 nan 8.360 nan 0.000 0.452 298 L N 0.978 122.272 121.223 0.117 0.000 2.141 298 L HA -0.163 4.163 4.340 -0.024 0.000 0.209 298 L C 2.517 179.449 176.870 0.103 0.000 1.094 298 L CA 0.738 55.640 54.840 0.103 0.000 0.763 298 L CB -0.215 41.879 42.059 0.058 0.000 0.908 298 L HN 0.090 nan 8.230 nan 0.000 0.437 299 E N 0.287 120.529 120.200 0.070 0.000 2.110 299 E HA -0.192 4.144 4.350 -0.024 0.000 0.193 299 E C 2.224 178.835 176.600 0.017 0.000 0.988 299 E CA 1.409 57.821 56.400 0.020 0.000 0.804 299 E CB 0.006 29.700 29.700 -0.010 0.000 0.745 299 E HN 0.454 nan 8.360 nan 0.000 0.458 300 A N 0.915 123.774 122.820 0.065 0.000 1.929 300 A HA 0.009 4.315 4.320 -0.024 0.000 0.216 300 A C 2.382 179.993 177.584 0.044 0.000 1.176 300 A CA 1.682 53.719 52.037 -0.001 0.000 0.628 300 A CB -0.455 18.509 19.000 -0.059 0.000 0.816 300 A HN 0.264 nan 8.150 nan 0.000 0.444 301 A N -0.112 122.877 122.820 0.281 0.000 1.902 301 A HA -0.183 4.122 4.320 -0.024 0.000 0.217 301 A C 2.251 179.939 177.584 0.173 0.000 1.181 301 A CA 1.786 54.044 52.037 0.368 0.000 0.623 301 A CB -0.493 18.721 19.000 0.356 0.000 0.818 301 A HN 0.541 nan 8.150 nan 0.000 0.443 302 R N -0.374 120.157 120.500 0.051 0.000 2.081 302 R HA -0.038 4.288 4.340 -0.024 0.000 0.235 302 R C 1.988 178.044 176.300 -0.407 0.000 1.131 302 R CA 1.439 57.401 56.100 -0.230 0.000 0.960 302 R CB -0.392 29.808 30.300 -0.167 0.000 0.856 302 R HN 0.533 nan 8.270 nan 0.000 0.436 303 L N 0.617 121.748 121.223 -0.152 0.000 2.083 303 L HA -0.201 4.124 4.340 -0.024 0.000 0.209 303 L C 2.387 179.270 176.870 0.021 0.000 1.083 303 L CA 1.061 55.885 54.840 -0.027 0.000 0.752 303 L CB -0.382 41.706 42.059 0.049 0.000 0.899 303 L HN 0.299 nan 8.230 nan 0.000 0.433 304 L N -0.864 120.355 121.223 -0.007 0.000 2.056 304 L HA -0.241 4.084 4.340 -0.024 0.000 0.207 304 L C 2.739 179.682 176.870 0.121 0.000 1.078 304 L CA 1.340 56.210 54.840 0.051 0.000 0.749 304 L CB -0.618 41.468 42.059 0.046 0.000 0.901 304 L HN 0.360 nan 8.230 nan 0.000 0.433 305 Y N -0.988 119.359 120.300 0.078 0.000 2.395 305 Y HA -0.024 4.512 4.550 -0.023 0.000 0.293 305 Y C 2.057 177.987 175.900 0.050 0.000 1.123 305 Y CA 0.560 58.693 58.100 0.054 0.000 1.227 305 Y CB -0.880 37.592 38.460 0.020 0.000 1.012 305 Y HN -0.029 nan 8.280 nan 0.000 0.552 306 L N 0.789 121.867 121.223 -0.241 0.000 2.056 306 L HA -0.158 4.167 4.340 -0.024 0.000 0.207 306 L C 2.769 179.770 176.870 0.217 0.000 1.078 306 L CA 1.993 56.744 54.840 -0.149 0.000 0.749 306 L CB -0.533 41.237 42.059 -0.481 0.000 0.901 306 L HN 0.238 nan 8.230 nan 0.000 0.433 307 K N 0.599 121.199 120.400 0.333 0.000 2.002 307 K HA -0.207 4.099 4.320 -0.024 0.000 0.209 307 K C 2.157 178.863 176.600 0.177 0.000 1.048 307 K CA 1.499 57.976 56.287 0.316 0.000 0.930 307 K CB -0.153 32.450 32.500 0.172 0.000 0.714 307 K HN 0.226 nan 8.250 nan 0.000 0.438 308 A N 1.142 124.056 122.820 0.157 0.000 1.908 308 A HA -0.152 4.153 4.320 -0.024 0.000 0.218 308 A C 2.375 179.959 177.584 0.001 0.000 1.181 308 A CA 2.131 54.246 52.037 0.130 0.000 0.627 308 A CB -0.953 18.160 19.000 0.189 0.000 0.818 308 A HN 0.548 nan 8.150 nan 0.000 0.445 309 A N -0.713 122.139 122.820 0.052 0.000 1.933 309 A HA -0.119 4.187 4.320 -0.024 0.000 0.218 309 A C 1.957 179.512 177.584 -0.047 0.000 1.175 309 A CA 2.065 54.088 52.037 -0.024 0.000 0.628 309 A CB -0.438 18.611 19.000 0.080 0.000 0.814 309 A HN 0.528 nan 8.150 nan 0.000 0.444 310 E N 0.095 120.336 120.200 0.068 0.000 2.110 310 E HA -0.104 4.232 4.350 -0.024 0.000 0.193 310 E C 1.851 178.452 176.600 0.002 0.000 0.988 310 E CA 1.062 57.524 56.400 0.104 0.000 0.804 310 E CB -0.325 29.553 29.700 0.297 0.000 0.745 310 E HN 0.618 nan 8.360 nan 0.000 0.458 311 L N 0.312 121.515 121.223 -0.033 0.000 2.027 311 L HA -0.163 4.163 4.340 -0.024 0.000 0.206 311 L C 2.625 179.387 176.870 -0.181 0.000 1.074 311 L CA 1.616 56.426 54.840 -0.051 0.000 0.745 311 L CB -0.508 41.573 42.059 0.037 0.000 0.898 311 L HN 0.127 nan 8.230 nan 0.000 0.433 312 K N 0.169 120.245 120.400 -0.540 0.000 2.044 312 K HA -0.241 4.065 4.320 -0.024 0.000 0.210 312 K C 1.654 178.055 176.600 -0.330 0.000 1.049 312 K CA 2.046 57.808 56.287 -0.875 0.000 0.927 312 K CB -0.067 31.632 32.500 -1.334 0.000 0.713 312 K HN 0.268 nan 8.250 nan 0.000 0.443 313 D N 0.074 120.347 120.400 -0.213 0.000 2.178 313 D HA -0.102 4.523 4.640 -0.024 0.000 0.202 313 D C 1.481 177.746 176.300 -0.058 0.000 0.974 313 D CA 1.186 55.124 54.000 -0.103 0.000 0.841 313 D CB -0.023 40.741 40.800 -0.059 0.000 0.953 313 D HN 0.387 nan 8.370 nan 0.000 0.478 314 A N -0.013 122.777 122.820 -0.049 0.000 2.238 314 A HA 0.355 4.661 4.320 -0.024 0.000 0.208 314 A C 1.753 179.335 177.584 -0.004 0.000 1.177 314 A CA 0.975 53.001 52.037 -0.017 0.000 0.804 314 A CB -0.373 18.622 19.000 -0.008 0.000 0.823 314 A HN 0.228 nan 8.150 nan 0.000 0.482 315 G N -0.616 108.181 108.800 -0.005 0.000 2.179 315 G HA2 -0.280 3.665 3.960 -0.024 0.000 0.257 315 G HA3 -0.280 3.665 3.960 -0.024 0.000 0.257 315 G C 0.270 175.207 174.900 0.062 0.000 1.010 315 G CA 0.571 45.690 45.100 0.031 0.000 0.736 315 G HN 0.669 nan 8.290 nan 0.000 0.513 316 R N 0.456 121.001 120.500 0.076 0.000 2.643 316 R HA 0.525 4.851 4.340 -0.024 0.000 0.272 316 R C -2.125 174.299 176.300 0.207 0.000 0.995 316 R CA -1.826 54.332 56.100 0.097 0.000 1.032 316 R CB 1.193 31.529 30.300 0.060 0.000 1.126 316 R HN 0.124 nan 8.270 nan 0.000 0.505 317 P HA -0.041 nan 4.420 nan 0.000 0.267 317 P C -0.598 176.853 177.300 0.252 0.000 1.200 317 P CA 0.472 63.653 63.100 0.136 0.000 0.772 317 P CB 0.229 31.947 31.700 0.031 0.000 0.855 318 F N -2.035 117.908 119.950 -0.011 0.000 2.988 318 F HA 0.254 4.767 4.527 -0.023 0.000 0.333 318 F C 1.113 176.910 175.800 -0.006 0.000 1.243 318 F CA -0.530 57.468 58.000 -0.003 0.000 1.041 318 F CB -0.986 38.018 39.000 0.007 0.000 1.354 318 F HN 0.028 nan 8.300 nan 0.000 0.505 319 T N 1.585 115.933 114.554 -0.342 0.000 2.746 319 T HA -0.185 4.150 4.350 -0.024 0.000 0.267 319 T C 1.907 176.549 174.700 -0.097 0.000 1.039 319 T CA 2.168 64.097 62.100 -0.285 0.000 1.142 319 T CB -0.193 68.531 68.868 -0.240 0.000 0.866 319 T HN 0.435 nan 8.240 nan 0.000 0.444 320 L N 1.372 122.569 121.223 -0.043 0.000 2.027 320 L HA 0.002 4.328 4.340 -0.024 0.000 0.206 320 L C 2.176 179.068 176.870 0.037 0.000 1.074 320 L CA 1.856 56.696 54.840 -0.001 0.000 0.745 320 L CB -0.563 41.498 42.059 0.003 0.000 0.898 320 L HN 0.040 nan 8.230 nan 0.000 0.433 321 E N 0.213 120.457 120.200 0.073 0.000 2.150 321 E HA -0.077 4.259 4.350 -0.024 0.000 0.193 321 E C 2.178 178.863 176.600 0.141 0.000 0.985 321 E CA 1.299 57.764 56.400 0.108 0.000 0.814 321 E CB -0.504 29.279 29.700 0.138 0.000 0.752 321 E HN 0.643 nan 8.360 nan 0.000 0.466 322 A N 0.757 123.680 122.820 0.172 0.000 1.929 322 A HA 0.083 4.388 4.320 -0.024 0.000 0.216 322 A C 2.313 179.958 177.584 0.101 0.000 1.176 322 A CA 1.417 53.560 52.037 0.178 0.000 0.628 322 A CB -0.594 18.543 19.000 0.228 0.000 0.816 322 A HN 0.273 nan 8.150 nan 0.000 0.444 323 A N -0.674 122.183 122.820 0.061 0.000 1.930 323 A HA -0.165 4.141 4.320 -0.024 0.000 0.217 323 A C 2.113 179.739 177.584 0.070 0.000 1.175 323 A CA 1.531 53.595 52.037 0.046 0.000 0.627 323 A CB -0.479 18.533 19.000 0.021 0.000 0.815 323 A HN 0.624 nan 8.150 nan 0.000 0.443 324 Q N -0.734 119.113 119.800 0.077 0.000 2.079 324 Q HA -0.081 4.245 4.340 -0.024 0.000 0.200 324 Q C 2.445 178.527 176.000 0.136 0.000 0.974 324 Q CA 1.273 57.130 55.803 0.091 0.000 0.840 324 Q CB -0.326 28.448 28.738 0.059 0.000 0.898 324 Q HN 0.685 nan 8.270 nan 0.000 0.430 325 A N 1.355 124.257 122.820 0.138 0.000 1.898 325 A HA -0.181 4.125 4.320 -0.024 0.000 0.216 325 A C 2.078 179.768 177.584 0.177 0.000 1.181 325 A CA 1.256 53.402 52.037 0.181 0.000 0.620 325 A CB -0.347 18.772 19.000 0.199 0.000 0.819 325 A HN 0.051 nan 8.150 nan 0.000 0.442 326 K N -0.238 120.233 120.400 0.118 0.000 2.026 326 K HA -0.138 4.167 4.320 -0.024 0.000 0.208 326 K C 1.988 178.629 176.600 0.068 0.000 1.048 326 K CA 1.740 58.069 56.287 0.070 0.000 0.929 326 K CB -0.629 31.895 32.500 0.040 0.000 0.713 326 K HN 0.384 nan 8.250 nan 0.000 0.439 327 L N 0.648 121.923 121.223 0.086 0.000 1.989 327 L HA -0.166 4.160 4.340 -0.024 0.000 0.211 327 L C 2.336 179.258 176.870 0.087 0.000 1.071 327 L CA 1.798 56.685 54.840 0.077 0.000 0.749 327 L CB -0.841 41.275 42.059 0.095 0.000 0.890 327 L HN 0.164 nan 8.230 nan 0.000 0.431 328 F N 0.157 120.122 119.950 0.026 0.000 2.113 328 F HA -0.122 4.391 4.527 -0.024 0.000 0.297 328 F C 2.354 178.170 175.800 0.027 0.000 1.103 328 F CA 1.638 59.654 58.000 0.027 0.000 1.248 328 F CB -0.715 38.305 39.000 0.033 0.000 0.999 328 F HN 0.191 nan 8.300 nan 0.000 0.475 329 A N -0.115 122.788 122.820 0.139 0.000 1.877 329 A HA -0.216 4.089 4.320 -0.024 0.000 0.216 329 A C 2.372 179.917 177.584 -0.066 0.000 1.186 329 A CA 2.419 54.487 52.037 0.052 0.000 0.620 329 A CB -1.477 17.597 19.000 0.124 0.000 0.822 329 A HN 0.523 nan 8.150 nan 0.000 0.443 330 S N -0.080 115.587 115.700 -0.055 0.000 2.353 330 S HA -0.220 4.235 4.470 -0.024 0.000 0.222 330 S C 1.727 176.254 174.600 -0.121 0.000 1.035 330 S CA 1.509 59.657 58.200 -0.086 0.000 1.025 330 S CB -0.581 62.580 63.200 -0.064 0.000 0.902 330 S HN 0.537 nan 8.310 nan 0.000 0.440 331 E N 2.097 122.214 120.200 -0.138 0.000 2.077 331 E HA -0.029 4.307 4.350 -0.024 0.000 0.193 331 E C 2.496 178.974 176.600 -0.202 0.000 0.989 331 E CA 1.324 57.632 56.400 -0.152 0.000 0.800 331 E CB -0.818 28.790 29.700 -0.153 0.000 0.746 331 E HN 0.686 nan 8.360 nan 0.000 0.452 332 A N 1.359 123.976 122.820 -0.338 0.000 1.898 332 A HA -0.012 4.294 4.320 -0.024 0.000 0.216 332 A C 2.414 179.909 177.584 -0.149 0.000 1.181 332 A CA 1.862 53.706 52.037 -0.321 0.000 0.620 332 A CB -0.509 18.174 19.000 -0.528 0.000 0.819 332 A HN 0.260 nan 8.150 nan 0.000 0.442 333 A N -0.450 122.295 122.820 -0.124 0.000 1.877 333 A HA -0.019 4.286 4.320 -0.024 0.000 0.216 333 A C 2.204 179.753 177.584 -0.059 0.000 1.186 333 A CA 1.805 53.793 52.037 -0.081 0.000 0.620 333 A CB -1.007 17.939 19.000 -0.091 0.000 0.822 333 A HN 0.400 nan 8.150 nan 0.000 0.443 334 V N 0.478 120.343 119.914 -0.083 0.000 2.407 334 V HA -0.276 3.830 4.120 -0.024 0.000 0.248 334 V C 2.553 178.715 176.094 0.114 0.000 1.055 334 V CA 2.402 64.667 62.300 -0.059 0.000 1.049 334 V CB -0.663 31.084 31.823 -0.127 0.000 0.662 334 V HN 0.716 nan 8.190 nan 0.000 0.455 335 K N 0.391 120.826 120.400 0.058 0.000 2.057 335 K HA -0.130 4.176 4.320 -0.024 0.000 0.206 335 K C 2.209 178.861 176.600 0.087 0.000 1.050 335 K CA 1.450 57.785 56.287 0.080 0.000 0.935 335 K CB -0.299 32.210 32.500 0.015 0.000 0.715 335 K HN 0.400 nan 8.250 nan 0.000 0.439 336 A N 0.954 123.806 122.820 0.052 0.000 1.902 336 A HA -0.169 4.137 4.320 -0.024 0.000 0.217 336 A C 2.412 180.057 177.584 0.101 0.000 1.181 336 A CA 1.657 53.730 52.037 0.059 0.000 0.623 336 A CB -1.000 18.015 19.000 0.026 0.000 0.818 336 A HN 0.573 nan 8.150 nan 0.000 0.443 337 C N -0.910 118.471 119.300 0.134 0.000 2.425 337 C HA -0.074 4.372 4.460 -0.024 0.000 0.277 337 C C 2.433 177.579 174.990 0.260 0.000 1.280 337 C CA 1.270 60.418 59.018 0.217 0.000 1.744 337 C CB -1.163 26.733 27.740 0.260 0.000 1.989 337 C HN 0.741 nan 8.230 nan 0.000 0.491 338 D N 0.454 121.025 120.400 0.284 0.000 2.144 338 D HA -0.099 4.526 4.640 -0.024 0.000 0.200 338 D C 2.224 178.558 176.300 0.057 0.000 0.978 338 D CA 1.032 55.104 54.000 0.120 0.000 0.833 338 D CB -0.145 40.723 40.800 0.114 0.000 0.961 338 D HN 0.374 nan 8.370 nan 0.000 0.470 339 E N -0.105 120.146 120.200 0.084 0.000 2.208 339 E HA -0.043 4.293 4.350 -0.024 0.000 0.193 339 E C 1.964 178.613 176.600 0.081 0.000 0.988 339 E CA 0.690 57.133 56.400 0.073 0.000 0.828 339 E CB -0.153 29.595 29.700 0.080 0.000 0.763 339 E HN 0.349 nan 8.360 nan 0.000 0.478 340 A N 1.172 124.051 122.820 0.098 0.000 1.898 340 A HA -0.101 4.205 4.320 -0.024 0.000 0.216 340 A C 2.283 179.902 177.584 0.058 0.000 1.181 340 A CA 0.779 52.881 52.037 0.108 0.000 0.620 340 A CB -0.532 18.555 19.000 0.145 0.000 0.819 340 A HN 0.145 nan 8.150 nan 0.000 0.442 341 I N -0.809 119.782 120.570 0.034 0.000 2.226 341 I HA -0.284 3.872 4.170 -0.024 0.000 0.245 341 I C 2.759 178.871 176.117 -0.010 0.000 1.100 341 I CA 1.771 63.063 61.300 -0.014 0.000 1.374 341 I CB -0.214 37.755 38.000 -0.051 0.000 1.057 341 I HN 0.373 nan 8.210 nan 0.000 0.413 342 Q N 1.180 120.983 119.800 0.006 0.000 2.079 342 Q HA -0.133 4.193 4.340 -0.024 0.000 0.200 342 Q C 2.046 178.076 176.000 0.049 0.000 0.974 342 Q CA 1.711 57.523 55.803 0.015 0.000 0.840 342 Q CB -0.189 28.560 28.738 0.019 0.000 0.898 342 Q HN 0.502 nan 8.270 nan 0.000 0.430 343 I N -0.351 120.264 120.570 0.075 0.000 2.315 343 I HA -0.220 3.936 4.170 -0.024 0.000 0.248 343 I C 1.538 177.733 176.117 0.130 0.000 1.117 343 I CA 0.586 61.964 61.300 0.130 0.000 1.404 343 I CB -0.181 37.915 38.000 0.161 0.000 1.071 343 I HN 0.250 nan 8.210 nan 0.000 0.419 344 L N 0.705 121.922 121.223 -0.010 0.000 2.465 344 L HA 0.019 4.345 4.340 -0.024 0.000 0.224 344 L C 1.688 178.543 176.870 -0.025 0.000 1.145 344 L CA 1.255 55.959 54.840 -0.227 0.000 0.834 344 L CB -1.925 39.929 42.059 -0.341 0.000 0.944 344 L HN 0.490 nan 8.230 nan 0.000 0.451 345 G N 0.452 109.271 108.800 0.033 0.000 2.611 345 G HA2 -0.412 3.534 3.960 -0.024 0.000 0.301 345 G HA3 -0.412 3.534 3.960 -0.024 0.000 0.301 345 G C 1.109 175.999 174.900 -0.018 0.000 1.233 345 G CA 0.401 45.523 45.100 0.038 0.000 0.993 345 G HN 0.365 nan 8.290 nan 0.000 0.553 346 G N -1.220 107.539 108.800 -0.069 0.000 2.442 346 G HA2 -0.059 3.886 3.960 -0.024 0.000 0.219 346 G HA3 -0.059 3.886 3.960 -0.024 0.000 0.219 346 G C 1.562 176.322 174.900 -0.234 0.000 1.141 346 G CA 1.889 46.871 45.100 -0.196 0.000 0.763 346 G HN 0.710 nan 8.290 nan 0.000 0.554 347 Y N 0.866 121.071 120.300 -0.159 0.000 2.439 347 Y HA 0.101 4.637 4.550 -0.024 0.000 0.292 347 Y C 2.883 178.610 175.900 -0.289 0.000 1.130 347 Y CA 0.365 58.266 58.100 -0.331 0.000 1.254 347 Y CB -0.358 37.656 38.460 -0.743 0.000 1.000 347 Y HN 0.199 nan 8.280 nan 0.000 0.554 348 G N -1.511 107.248 108.800 -0.070 0.000 2.509 348 G HA2 -0.287 3.658 3.960 -0.024 0.000 0.218 348 G HA3 -0.287 3.658 3.960 -0.024 0.000 0.218 348 G C 1.158 176.066 174.900 0.014 0.000 1.124 348 G CA 0.390 45.453 45.100 -0.062 0.000 0.776 348 G HN 0.457 nan 8.290 nan 0.000 0.547 349 Y N 1.009 121.246 120.300 -0.105 0.000 2.466 349 Y HA 0.321 4.857 4.550 -0.024 0.000 0.272 349 Y C 0.851 176.719 175.900 -0.054 0.000 1.169 349 Y CA -0.849 57.195 58.100 -0.093 0.000 1.285 349 Y CB 0.365 38.761 38.460 -0.107 0.000 1.078 349 Y HN 0.080 nan 8.280 nan 0.000 0.523 350 V N -1.914 118.015 119.914 0.024 0.000 2.513 350 V HA 0.362 4.467 4.120 -0.024 0.000 0.299 350 V C 0.806 176.929 176.094 0.048 0.000 1.035 350 V CA -1.173 61.151 62.300 0.040 0.000 0.889 350 V CB 1.918 33.836 31.823 0.158 0.000 0.988 350 V HN -0.058 nan 8.190 nan 0.000 0.440 351 K N 1.498 121.874 120.400 -0.039 0.000 2.442 351 K HA -0.121 4.184 4.320 -0.024 0.000 0.198 351 K C 1.037 177.587 176.600 -0.083 0.000 1.044 351 K CA 1.177 57.420 56.287 -0.073 0.000 0.948 351 K CB -0.121 32.327 32.500 -0.087 0.000 0.762 351 K HN 0.805 nan 8.250 nan 0.000 0.472 352 D N -0.102 120.264 120.400 -0.057 0.000 2.218 352 D HA -0.089 4.537 4.640 -0.024 0.000 0.204 352 D C 0.186 176.183 176.300 -0.505 0.000 0.976 352 D CA 1.073 54.914 54.000 -0.264 0.000 0.853 352 D CB -0.029 40.588 40.800 -0.306 0.000 0.939 352 D HN 0.163 nan 8.370 nan 0.000 0.481 353 Y N -0.689 119.552 120.300 -0.100 0.000 2.457 353 Y HA 0.284 4.820 4.550 -0.024 0.000 0.333 353 Y C -1.327 174.351 175.900 -0.370 0.000 1.119 353 Y CA -2.330 55.654 58.100 -0.194 0.000 1.143 353 Y CB 1.030 39.392 38.460 -0.162 0.000 1.230 353 Y HN -0.229 nan 8.280 nan 0.000 0.469 354 P HA -0.111 nan 4.420 nan 0.000 0.231 354 P C 1.232 177.849 177.300 -1.139 0.000 1.168 354 P CA 1.247 63.848 63.100 -0.831 0.000 0.779 354 P CB 0.183 31.316 31.700 -0.945 0.000 0.844 355 V N 0.193 119.619 119.914 -0.814 0.000 2.469 355 V HA -0.269 3.837 4.120 -0.024 0.000 0.251 355 V C 2.412 178.387 176.094 -0.197 0.000 1.064 355 V CA 2.348 64.385 62.300 -0.439 0.000 1.066 355 V CB -1.961 29.732 31.823 -0.216 0.000 0.667 355 V HN 0.185 nan 8.190 nan 0.000 0.461 356 E N 1.477 121.562 120.200 -0.192 0.000 2.107 356 E HA -0.197 4.139 4.350 -0.024 0.000 0.191 356 E C 2.338 178.932 176.600 -0.010 0.000 0.982 356 E CA 1.402 57.762 56.400 -0.068 0.000 0.809 356 E CB -0.625 29.003 29.700 -0.120 0.000 0.756 356 E HN 0.608 nan 8.360 nan 0.000 0.459 357 R N -0.154 120.257 120.500 -0.148 0.000 2.075 357 R HA -0.117 4.209 4.340 -0.024 0.000 0.232 357 R C 2.016 178.331 176.300 0.025 0.000 1.126 357 R CA 1.453 57.498 56.100 -0.092 0.000 0.963 357 R CB -0.407 29.787 30.300 -0.177 0.000 0.858 357 R HN 0.371 nan 8.270 nan 0.000 0.435 358 Y N -1.264 119.011 120.300 -0.041 0.000 2.114 358 Y HA -0.348 4.188 4.550 -0.024 0.000 0.282 358 Y C 2.272 178.158 175.900 -0.022 0.000 1.165 358 Y CA 0.890 58.953 58.100 -0.062 0.000 1.148 358 Y CB -0.431 37.979 38.460 -0.083 0.000 0.972 358 Y HN 0.325 nan 8.280 nan 0.000 0.504 359 W N 1.391 122.733 121.300 0.071 0.000 2.355 359 W HA -0.183 4.463 4.660 -0.024 0.000 0.309 359 W C 2.435 178.949 176.519 -0.007 0.000 1.206 359 W CA 1.627 58.983 57.345 0.017 0.000 1.284 359 W CB -0.281 29.178 29.460 -0.002 0.000 1.145 359 W HN -0.136 nan 8.180 nan 0.000 0.502 360 R N -0.014 120.594 120.500 0.180 0.000 2.091 360 R HA -0.175 4.151 4.340 -0.024 0.000 0.238 360 R C 1.763 177.959 176.300 -0.174 0.000 1.136 360 R CA 1.891 57.993 56.100 0.003 0.000 0.959 360 R CB -0.685 29.686 30.300 0.119 0.000 0.856 360 R HN 0.157 nan 8.270 nan 0.000 0.437 361 D N 0.346 120.687 120.400 -0.098 0.000 2.084 361 D HA -0.099 4.527 4.640 -0.024 0.000 0.196 361 D C 1.809 177.999 176.300 -0.183 0.000 0.985 361 D CA 1.598 55.534 54.000 -0.107 0.000 0.826 361 D CB -0.355 40.422 40.800 -0.038 0.000 0.978 361 D HN 0.211 nan 8.370 nan 0.000 0.456 362 A N 0.736 123.428 122.820 -0.213 0.000 1.978 362 A HA -0.199 4.106 4.320 -0.024 0.000 0.220 362 A C 2.107 179.475 177.584 -0.360 0.000 1.170 362 A CA 1.653 53.537 52.037 -0.254 0.000 0.636 362 A CB -0.470 18.394 19.000 -0.226 0.000 0.810 362 A HN 0.034 nan 8.150 nan 0.000 0.448 363 R N -0.347 119.800 120.500 -0.589 0.000 2.154 363 R HA -0.158 4.168 4.340 -0.024 0.000 0.248 363 R C 1.767 177.853 176.300 -0.356 0.000 1.155 363 R CA 1.735 57.439 56.100 -0.661 0.000 0.979 363 R CB -0.949 28.719 30.300 -1.054 0.000 0.869 363 R HN 0.480 nan 8.270 nan 0.000 0.452 364 L N 0.507 121.566 121.223 -0.273 0.000 2.275 364 L HA -0.058 4.267 4.340 -0.024 0.000 0.215 364 L C 1.813 178.602 176.870 -0.136 0.000 1.119 364 L CA 2.291 57.023 54.840 -0.179 0.000 0.790 364 L CB -0.833 41.136 42.059 -0.150 0.000 0.919 364 L HN 0.460 nan 8.230 nan 0.000 0.443 365 T N -3.575 110.891 114.554 -0.146 0.000 2.977 365 T HA -0.186 4.150 4.350 -0.024 0.000 0.271 365 T C 1.856 176.505 174.700 -0.085 0.000 1.105 365 T CA 1.158 63.193 62.100 -0.109 0.000 1.116 365 T CB -0.493 68.306 68.868 -0.116 0.000 0.878 365 T HN 0.429 nan 8.240 nan 0.000 0.509 366 R N -0.247 120.194 120.500 -0.098 0.000 2.310 366 R HA 0.447 4.773 4.340 -0.024 0.000 0.202 366 R C 1.535 177.811 176.300 -0.041 0.000 0.933 366 R CA 0.278 56.339 56.100 -0.066 0.000 1.054 366 R CB 0.001 30.256 30.300 -0.076 0.000 0.985 366 R HN 0.467 nan 8.270 nan 0.000 0.489 367 I N -1.228 119.314 120.570 -0.046 0.000 3.518 367 I HA 0.145 4.301 4.170 -0.024 0.000 0.260 367 I C 1.333 177.452 176.117 0.002 0.000 1.148 367 I CA -0.116 61.172 61.300 -0.019 0.000 1.440 367 I CB -0.246 37.733 38.000 -0.034 0.000 1.485 367 I HN 0.028 nan 8.210 nan 0.000 0.456 368 G N 1.143 109.936 108.800 -0.011 0.000 2.562 368 G HA2 0.006 3.952 3.960 -0.024 0.000 0.233 368 G HA3 0.006 3.952 3.960 -0.024 0.000 0.233 368 G C 0.090 175.006 174.900 0.027 0.000 1.266 368 G CA -0.000 45.109 45.100 0.016 0.000 0.852 368 G HN 0.514 nan 8.290 nan 0.000 0.581 369 E N -0.782 119.455 120.200 0.062 0.000 2.228 369 E HA -0.130 4.205 4.350 -0.024 0.000 0.213 369 E C 0.717 177.345 176.600 0.047 0.000 1.282 369 E CA 0.754 57.191 56.400 0.062 0.000 0.707 369 E CB -1.498 28.211 29.700 0.015 0.000 1.150 369 E HN 1.945 nan 8.360 nan 0.000 0.362 370 G N 0.285 109.121 108.800 0.060 0.000 3.383 370 G HA2 -0.147 3.799 3.960 -0.024 0.000 0.685 370 G HA3 -0.147 3.799 3.960 -0.024 0.000 0.685 370 G C 0.174 175.095 174.900 0.035 0.000 1.104 370 G CA -0.281 44.848 45.100 0.049 0.000 0.957 370 G HN 0.593 nan 8.290 nan 0.000 0.461 371 T N 0.507 115.084 114.554 0.038 0.000 2.855 371 T HA 0.482 4.818 4.350 -0.024 0.000 0.314 371 T C 1.919 176.633 174.700 0.023 0.000 1.077 371 T CA 0.696 62.812 62.100 0.027 0.000 1.095 371 T CB 1.308 70.195 68.868 0.031 0.000 0.987 371 T HN 1.069 nan 8.240 nan 0.000 0.546 372 S N 1.606 117.315 115.700 0.015 0.000 2.380 372 S HA -0.172 4.283 4.470 -0.024 0.000 0.229 372 S C 1.978 176.593 174.600 0.026 0.000 1.043 372 S CA 1.817 60.028 58.200 0.018 0.000 1.038 372 S CB -0.557 62.649 63.200 0.010 0.000 0.872 372 S HN 0.860 nan 8.310 nan 0.000 0.456 373 E N 1.029 121.245 120.200 0.026 0.000 2.085 373 E HA -0.069 4.267 4.350 -0.024 0.000 0.194 373 E C 1.982 178.602 176.600 0.032 0.000 0.994 373 E CA 0.723 57.141 56.400 0.029 0.000 0.801 373 E CB -0.327 29.391 29.700 0.029 0.000 0.743 373 E HN 0.345 nan 8.360 nan 0.000 0.453 374 I N 0.398 120.989 120.570 0.034 0.000 2.226 374 I HA -0.210 3.945 4.170 -0.024 0.000 0.245 374 I C 2.152 178.289 176.117 0.035 0.000 1.100 374 I CA 1.213 62.536 61.300 0.038 0.000 1.374 374 I CB -1.009 37.018 38.000 0.045 0.000 1.057 374 I HN 0.154 nan 8.210 nan 0.000 0.413 375 L N 0.110 121.352 121.223 0.032 0.000 2.141 375 L HA -0.188 4.137 4.340 -0.024 0.000 0.209 375 L C 2.427 179.316 176.870 0.032 0.000 1.094 375 L CA 1.169 56.027 54.840 0.030 0.000 0.763 375 L CB -0.634 41.445 42.059 0.034 0.000 0.908 375 L HN 0.208 nan 8.230 nan 0.000 0.437 376 K N 0.231 120.651 120.400 0.034 0.000 2.148 376 K HA -0.086 4.220 4.320 -0.024 0.000 0.204 376 K C 2.117 178.734 176.600 0.030 0.000 1.050 376 K CA 0.981 57.289 56.287 0.035 0.000 0.942 376 K CB -0.066 32.455 32.500 0.035 0.000 0.724 376 K HN 0.263 nan 8.250 nan 0.000 0.446 377 L N 0.486 121.726 121.223 0.029 0.000 2.072 377 L HA -0.147 4.179 4.340 -0.024 0.000 0.205 377 L C 2.293 179.178 176.870 0.025 0.000 1.079 377 L CA 0.705 55.562 54.840 0.028 0.000 0.752 377 L CB -0.343 41.735 42.059 0.032 0.000 0.906 377 L HN -0.025 nan 8.230 nan 0.000 0.436 378 V N 0.378 120.306 119.914 0.024 0.000 2.287 378 V HA -0.318 3.788 4.120 -0.024 0.000 0.248 378 V C 2.314 178.414 176.094 0.009 0.000 1.053 378 V CA 1.924 64.232 62.300 0.014 0.000 1.027 378 V CB -0.308 31.520 31.823 0.007 0.000 0.646 378 V HN 0.309 nan 8.190 nan 0.000 0.447 379 I N 0.312 120.891 120.570 0.015 0.000 2.179 379 I HA -0.233 3.923 4.170 -0.024 0.000 0.242 379 I C 2.659 178.784 176.117 0.014 0.000 1.088 379 I CA 1.561 62.870 61.300 0.015 0.000 1.357 379 I CB -0.600 37.415 38.000 0.026 0.000 1.051 379 I HN 0.285 nan 8.210 nan 0.000 0.409 380 A N 0.820 123.650 122.820 0.017 0.000 1.933 380 A HA -0.196 4.110 4.320 -0.024 0.000 0.218 380 A C 2.370 179.962 177.584 0.013 0.000 1.175 380 A CA 1.447 53.493 52.037 0.016 0.000 0.628 380 A CB -0.556 18.456 19.000 0.019 0.000 0.814 380 A HN 0.317 nan 8.150 nan 0.000 0.444 381 R N -0.873 119.635 120.500 0.014 0.000 2.081 381 R HA -0.085 4.241 4.340 -0.024 0.000 0.235 381 R C 2.340 178.643 176.300 0.006 0.000 1.131 381 R CA 1.340 57.447 56.100 0.012 0.000 0.960 381 R CB -0.265 30.045 30.300 0.016 0.000 0.856 381 R HN 0.326 nan 8.270 nan 0.000 0.436 382 R N 0.864 121.364 120.500 0.001 0.000 2.075 382 R HA -0.047 4.278 4.340 -0.024 0.000 0.232 382 R C 2.344 178.643 176.300 -0.002 0.000 1.126 382 R CA 1.128 57.225 56.100 -0.005 0.000 0.963 382 R CB -0.848 29.446 30.300 -0.011 0.000 0.858 382 R HN 0.291 nan 8.270 nan 0.000 0.435 383 L N 0.535 121.759 121.223 0.001 0.000 2.046 383 L HA -0.163 4.162 4.340 -0.024 0.000 0.208 383 L C 2.491 179.362 176.870 0.002 0.000 1.077 383 L CA 1.240 56.081 54.840 0.001 0.000 0.747 383 L CB -0.555 41.507 42.059 0.004 0.000 0.896 383 L HN 0.098 nan 8.230 nan 0.000 0.432 384 L N -0.562 120.663 121.223 0.004 0.000 2.056 384 L HA -0.174 4.152 4.340 -0.024 0.000 0.207 384 L C 2.410 179.281 176.870 0.003 0.000 1.078 384 L CA 1.206 56.049 54.840 0.005 0.000 0.749 384 L CB -0.465 41.599 42.059 0.008 0.000 0.901 384 L HN 0.252 nan 8.230 nan 0.000 0.433 385 E N 0.071 120.272 120.200 0.002 0.000 2.338 385 E HA -0.158 4.178 4.350 -0.024 0.000 0.197 385 E C 2.132 178.730 176.600 -0.003 0.000 1.007 385 E CA 0.788 57.188 56.400 0.000 0.000 0.849 385 E CB -0.029 29.670 29.700 -0.001 0.000 0.774 385 E HN 0.503 nan 8.360 nan 0.000 0.506 386 A N 0.585 123.403 122.820 -0.003 0.000 1.874 386 A HA 0.160 4.466 4.320 -0.024 0.000 0.214 386 A C 1.121 178.702 177.584 -0.004 0.000 1.189 386 A CA 0.864 52.898 52.037 -0.005 0.000 0.615 386 A CB 0.573 19.570 19.000 -0.005 0.000 0.830 386 A HN 0.145 nan 8.150 nan 0.000 0.443 387 V N 0.000 119.913 119.914 -0.002 0.000 2.409 387 V HA 0.000 4.106 4.120 -0.024 0.000 0.244 387 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 387 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 387 V HN 0.000 nan 8.190 nan 0.000 0.556