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 3ovb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 K N 0.038 120.425 120.400 -0.021 0.000 2.386 2 K HA 0.309 4.637 4.320 0.014 0.000 0.249 2 K C 1.160 177.738 176.600 -0.037 0.000 1.055 2 K CA -0.007 56.257 56.287 -0.039 0.000 0.930 2 K CB 0.787 33.265 32.500 -0.036 0.000 1.230 2 K HN -0.025 nan 8.250 nan 0.000 0.507 3 V N 1.148 121.028 119.914 -0.056 0.000 2.255 3 V HA -0.235 3.893 4.120 0.014 0.000 0.247 3 V C 2.003 178.121 176.094 0.040 0.000 1.051 3 V CA 1.754 64.030 62.300 -0.039 0.000 1.018 3 V CB -0.541 31.246 31.823 -0.059 0.000 0.641 3 V HN 0.695 nan 8.190 nan 0.000 0.445 4 E N -0.196 120.017 120.200 0.022 0.000 2.268 4 E HA -0.190 4.168 4.350 0.014 0.000 0.195 4 E C 2.195 178.806 176.600 0.017 0.000 0.995 4 E CA 0.898 57.316 56.400 0.029 0.000 0.836 4 E CB -0.049 29.657 29.700 0.010 0.000 0.763 4 E HN 0.685 nan 8.360 nan 0.000 0.491 5 E N 0.373 120.580 120.200 0.011 0.000 2.072 5 E HA -0.059 4.299 4.350 0.014 0.000 0.190 5 E C 2.057 178.665 176.600 0.013 0.000 0.982 5 E CA 0.353 56.756 56.400 0.004 0.000 0.803 5 E CB -0.033 29.668 29.700 0.001 0.000 0.755 5 E HN 0.137 nan 8.360 nan 0.000 0.453 6 I N 0.397 120.995 120.570 0.047 0.000 2.208 6 I HA -0.226 3.952 4.170 0.014 0.000 0.245 6 I C 1.902 178.039 176.117 0.034 0.000 1.097 6 I CA 1.057 62.414 61.300 0.095 0.000 1.363 6 I CB -0.677 37.444 38.000 0.202 0.000 1.051 6 I HN 0.186 nan 8.210 nan 0.000 0.413 7 L N 0.438 121.692 121.223 0.052 0.000 2.191 7 L HA -0.152 4.197 4.340 0.014 0.000 0.212 7 L C 2.462 179.241 176.870 -0.151 0.000 1.103 7 L CA 1.558 56.365 54.840 -0.056 0.000 0.769 7 L CB -0.688 41.411 42.059 0.068 0.000 0.908 7 L HN 0.257 nan 8.230 nan 0.000 0.438 8 E N -0.666 119.480 120.200 -0.090 0.000 2.170 8 E HA -0.115 4.244 4.350 0.014 0.000 0.191 8 E C 1.944 178.478 176.600 -0.110 0.000 0.981 8 E CA 0.447 56.791 56.400 -0.093 0.000 0.830 8 E CB 0.126 29.794 29.700 -0.053 0.000 0.775 8 E HN 0.500 nan 8.360 nan 0.000 0.470 9 K N 0.697 121.038 120.400 -0.099 0.000 2.288 9 K HA 0.017 4.345 4.320 0.014 0.000 0.201 9 K C 1.994 178.497 176.600 -0.162 0.000 1.048 9 K CA 0.760 56.992 56.287 -0.093 0.000 0.956 9 K CB 0.076 32.550 32.500 -0.044 0.000 0.746 9 K HN -0.023 nan 8.250 nan 0.000 0.461 10 A N 1.335 123.978 122.820 -0.295 0.000 2.014 10 A HA -0.043 4.285 4.320 0.014 0.000 0.218 10 A C 2.028 179.382 177.584 -0.384 0.000 1.163 10 A CA 0.848 52.567 52.037 -0.529 0.000 0.652 10 A CB -0.444 17.852 19.000 -1.172 0.000 0.808 10 A HN 0.139 nan 8.150 nan 0.000 0.449 11 L N -0.767 120.289 121.223 -0.279 0.000 2.083 11 L HA -0.185 4.163 4.340 0.014 0.000 0.209 11 L C 2.285 179.063 176.870 -0.153 0.000 1.083 11 L CA 1.388 56.103 54.840 -0.208 0.000 0.752 11 L CB -0.519 41.444 42.059 -0.160 0.000 0.899 11 L HN 0.292 nan 8.230 nan 0.000 0.433 12 E N 0.039 120.164 120.200 -0.125 0.000 2.333 12 E HA -0.152 4.206 4.350 0.014 0.000 0.198 12 E C 1.981 178.538 176.600 -0.072 0.000 1.007 12 E CA 0.878 57.228 56.400 -0.083 0.000 0.845 12 E CB -0.043 29.620 29.700 -0.062 0.000 0.766 12 E HN 0.468 nan 8.360 nan 0.000 0.507 13 L N -1.058 120.109 121.223 -0.094 0.000 2.515 13 L HA 0.062 4.410 4.340 0.014 0.000 0.223 13 L C 1.860 178.691 176.870 -0.064 0.000 1.079 13 L CA 0.149 54.952 54.840 -0.062 0.000 0.857 13 L CB 0.240 42.271 42.059 -0.047 0.000 1.050 13 L HN 0.113 nan 8.230 nan 0.000 0.476 14 V N -3.561 116.287 119.914 -0.109 0.000 3.212 14 V HA 0.227 4.355 4.120 0.014 0.000 0.244 14 V C 0.916 176.923 176.094 -0.144 0.000 1.151 14 V CA -0.107 62.123 62.300 -0.117 0.000 1.119 14 V CB 0.248 31.980 31.823 -0.152 0.000 0.838 14 V HN 0.086 nan 8.190 nan 0.000 0.470 15 I N 4.264 124.744 120.570 -0.150 0.000 2.396 15 I HA 0.464 4.642 4.170 0.014 0.000 0.289 15 I C -2.273 173.763 176.117 -0.136 0.000 1.056 15 I CA -2.781 58.413 61.300 -0.177 0.000 1.365 15 I CB 1.047 38.953 38.000 -0.156 0.000 1.407 15 I HN 0.135 nan 8.210 nan 0.000 0.509 16 P HA 0.100 nan 4.420 nan 0.000 0.271 16 P C -1.193 176.102 177.300 -0.008 0.000 1.220 16 P CA -0.243 62.831 63.100 -0.042 0.000 0.768 16 P CB 0.329 32.026 31.700 -0.004 0.000 0.848 17 D N 1.642 122.061 120.400 0.032 0.000 2.382 17 D HA -0.049 4.599 4.640 0.014 0.000 0.240 17 D C 0.981 177.319 176.300 0.062 0.000 1.146 17 D CA -0.279 53.740 54.000 0.031 0.000 0.897 17 D CB 0.758 41.577 40.800 0.031 0.000 1.197 17 D HN 0.414 nan 8.370 nan 0.000 0.432 18 E N -0.054 120.173 120.200 0.046 0.000 2.267 18 E HA -0.225 4.133 4.350 0.014 0.000 0.197 18 E C 1.485 178.133 176.600 0.081 0.000 0.998 18 E CA 1.123 57.560 56.400 0.061 0.000 0.830 18 E CB 0.241 29.963 29.700 0.038 0.000 0.751 18 E HN 0.546 nan 8.360 nan 0.000 0.491 19 E N 0.407 120.650 120.200 0.072 0.000 2.107 19 E HA -0.234 4.124 4.350 0.014 0.000 0.191 19 E C 1.813 178.469 176.600 0.095 0.000 0.982 19 E CA 1.460 57.903 56.400 0.071 0.000 0.809 19 E CB -0.297 29.436 29.700 0.054 0.000 0.756 19 E HN 0.522 nan 8.360 nan 0.000 0.459 20 E N 1.517 121.792 120.200 0.125 0.000 2.299 20 E HA -0.028 4.330 4.350 0.014 0.000 0.193 20 E C 2.043 178.790 176.600 0.244 0.000 0.998 20 E CA 0.539 57.038 56.400 0.164 0.000 0.851 20 E CB -0.209 29.603 29.700 0.186 0.000 0.795 20 E HN 0.032 nan 8.360 nan 0.000 0.492 21 V N 1.189 121.265 119.914 0.271 0.000 2.358 21 V HA -0.201 3.927 4.120 0.014 0.000 0.246 21 V C 2.670 178.908 176.094 0.240 0.000 1.047 21 V CA 2.125 64.634 62.300 0.347 0.000 1.035 21 V CB -0.654 31.318 31.823 0.248 0.000 0.658 21 V HN 0.332 nan 8.190 nan 0.000 0.452 22 R N 0.555 121.147 120.500 0.153 0.000 2.092 22 R HA -0.204 4.144 4.340 0.014 0.000 0.231 22 R C 2.344 178.696 176.300 0.088 0.000 1.119 22 R CA 1.815 57.979 56.100 0.107 0.000 0.970 22 R CB -0.195 30.150 30.300 0.075 0.000 0.864 22 R HN 0.404 nan 8.270 nan 0.000 0.440 23 K N -0.123 120.327 120.400 0.083 0.000 2.074 23 K HA -0.103 4.225 4.320 0.014 0.000 0.209 23 K C 1.813 178.422 176.600 0.014 0.000 1.048 23 K CA 1.951 58.266 56.287 0.046 0.000 0.926 23 K CB -0.646 31.882 32.500 0.047 0.000 0.713 23 K HN 0.345 nan 8.250 nan 0.000 0.444 24 G N 0.117 108.938 108.800 0.035 0.000 2.394 24 G HA2 -0.188 3.780 3.960 0.014 0.000 0.215 24 G HA3 -0.188 3.780 3.960 0.014 0.000 0.215 24 G C 1.417 176.324 174.900 0.011 0.000 1.165 24 G CA 0.223 45.286 45.100 -0.061 0.000 0.784 24 G HN 0.134 nan 8.290 nan 0.000 0.535 25 R N 1.225 121.810 120.500 0.141 0.000 2.096 25 R HA -0.066 4.282 4.340 0.014 0.000 0.235 25 R C 2.424 178.755 176.300 0.052 0.000 1.127 25 R CA 1.506 57.689 56.100 0.137 0.000 0.968 25 R CB -0.574 29.799 30.300 0.121 0.000 0.861 25 R HN 0.758 nan 8.270 nan 0.000 0.440 26 E N -0.198 120.021 120.200 0.032 0.000 2.478 26 E HA 0.102 4.460 4.350 0.014 0.000 0.194 26 E C 1.441 178.038 176.600 -0.005 0.000 1.045 26 E CA 0.621 57.029 56.400 0.013 0.000 0.868 26 E CB 0.128 29.838 29.700 0.016 0.000 0.885 26 E HN 0.168 nan 8.360 nan 0.000 0.505 27 A N 1.906 124.710 122.820 -0.027 0.000 1.943 27 A HA -0.098 4.230 4.320 0.014 0.000 0.213 27 A C 2.093 179.659 177.584 -0.030 0.000 1.181 27 A CA 0.841 52.849 52.037 -0.048 0.000 0.653 27 A CB -0.241 18.702 19.000 -0.095 0.000 0.833 27 A HN 0.260 nan 8.150 nan 0.000 0.451 28 E N -0.196 119.978 120.200 -0.042 0.000 2.204 28 E HA -0.221 4.137 4.350 0.014 0.000 0.194 28 E C 1.819 178.417 176.600 -0.003 0.000 0.989 28 E CA 1.249 57.640 56.400 -0.014 0.000 0.824 28 E CB 0.008 29.674 29.700 -0.057 0.000 0.756 28 E HN 0.652 nan 8.360 nan 0.000 0.477 29 E N 0.722 120.922 120.200 0.000 0.000 2.047 29 E HA -0.210 4.148 4.350 0.014 0.000 0.191 29 E C 1.820 178.431 176.600 0.019 0.000 0.987 29 E CA 1.398 57.803 56.400 0.008 0.000 0.799 29 E CB -0.002 29.703 29.700 0.009 0.000 0.752 29 E HN 0.067 nan 8.360 nan 0.000 0.449 30 E N -0.629 119.579 120.200 0.013 0.000 2.208 30 E HA -0.074 4.284 4.350 0.014 0.000 0.193 30 E C 1.585 178.190 176.600 0.008 0.000 0.988 30 E CA 0.399 56.803 56.400 0.006 0.000 0.828 30 E CB -0.104 29.593 29.700 -0.005 0.000 0.763 30 E HN 0.191 nan 8.360 nan 0.000 0.478 31 L N 0.534 121.780 121.223 0.037 0.000 2.044 31 L HA -0.002 4.346 4.340 0.014 0.000 0.205 31 L C 2.164 179.053 176.870 0.031 0.000 1.075 31 L CA 1.591 56.459 54.840 0.047 0.000 0.747 31 L CB -0.579 41.595 42.059 0.192 0.000 0.903 31 L HN 0.092 nan 8.230 nan 0.000 0.435 32 R N -0.970 119.605 120.500 0.125 0.000 2.189 32 R HA -0.066 4.282 4.340 0.014 0.000 0.218 32 R C 2.248 178.598 176.300 0.083 0.000 1.074 32 R CA 0.639 56.837 56.100 0.164 0.000 0.991 32 R CB -0.082 30.336 30.300 0.197 0.000 0.883 32 R HN 0.378 nan 8.270 nan 0.000 0.457 33 R N 0.093 120.615 120.500 0.037 0.000 2.062 33 R HA 0.006 4.354 4.340 0.014 0.000 0.226 33 R C 2.307 178.603 176.300 -0.006 0.000 1.125 33 R CA 1.043 57.156 56.100 0.021 0.000 0.966 33 R CB -0.085 30.223 30.300 0.014 0.000 0.861 33 R HN 0.096 nan 8.270 nan 0.000 0.433 34 R N 0.429 120.908 120.500 -0.035 0.000 2.075 34 R HA -0.046 4.302 4.340 0.014 0.000 0.232 34 R C 2.269 178.510 176.300 -0.098 0.000 1.126 34 R CA 1.148 57.213 56.100 -0.058 0.000 0.963 34 R CB -0.312 29.948 30.300 -0.066 0.000 0.858 34 R HN 0.156 nan 8.270 nan 0.000 0.435 35 L N 0.473 121.586 121.223 -0.185 0.000 2.109 35 L HA -0.111 4.237 4.340 0.014 0.000 0.207 35 L C 0.630 177.444 176.870 -0.093 0.000 1.086 35 L CA 0.875 55.537 54.840 -0.298 0.000 0.760 35 L CB -0.135 41.401 42.059 -0.872 0.000 0.910 35 L HN 0.026 nan 8.230 nan 0.000 0.437 36 D N 0.031 120.440 120.400 0.015 0.000 2.982 36 D HA -0.031 4.617 4.640 0.014 0.000 0.238 36 D C 1.016 177.342 176.300 0.042 0.000 1.168 36 D CA 0.514 54.574 54.000 0.100 0.000 0.947 36 D CB 0.304 41.185 40.800 0.134 0.000 1.147 36 D HN 0.379 nan 8.370 nan 0.000 0.450 37 E N -0.863 119.346 120.200 0.016 0.000 2.701 37 E HA -0.008 4.350 4.350 0.014 0.000 0.201 37 E C 0.735 177.337 176.600 0.004 0.000 0.961 37 E CA -0.127 56.277 56.400 0.007 0.000 1.659 37 E CB 0.454 30.151 29.700 -0.006 0.000 1.970 37 E HN -0.029 nan 8.360 nan 0.000 1.021 38 L N 0.698 121.917 121.223 -0.006 0.000 2.611 38 L HA 0.379 4.727 4.340 0.014 0.000 0.229 38 L C 1.468 178.343 176.870 0.010 0.000 1.137 38 L CA 1.289 56.127 54.840 -0.002 0.000 0.901 38 L CB -0.773 41.276 42.059 -0.017 0.000 1.098 38 L HN 0.413 nan 8.230 nan 0.000 0.456 39 G N 0.042 108.856 108.800 0.023 0.000 4.026 39 G HA2 -0.351 3.617 3.960 0.014 0.000 0.309 39 G HA3 -0.351 3.617 3.960 0.014 0.000 0.309 39 G C 0.388 175.321 174.900 0.055 0.000 1.411 39 G CA 0.271 45.392 45.100 0.036 0.000 1.037 39 G HN 0.200 nan 8.290 nan 0.000 0.687 40 V N 0.841 120.763 119.914 0.013 0.000 3.666 40 V HA -0.153 3.975 4.120 0.014 0.000 0.517 40 V C 0.492 176.623 176.094 0.062 0.000 0.682 40 V CA 1.771 64.064 62.300 -0.013 0.000 2.067 40 V CB -0.299 31.502 31.823 -0.037 0.000 2.480 40 V HN 1.147 nan 8.190 nan 0.000 0.513 41 E N 5.359 125.511 120.200 -0.079 0.000 2.223 41 E HA 0.535 4.893 4.350 0.014 0.000 0.282 41 E C -0.495 176.072 176.600 -0.056 0.000 1.046 41 E CA -0.525 55.816 56.400 -0.098 0.000 0.857 41 E CB 0.742 30.343 29.700 -0.166 0.000 1.055 41 E HN 0.710 nan 8.360 nan 0.000 0.409 42 Y N 0.971 121.191 120.300 -0.135 0.000 2.544 42 Y HA 0.654 5.212 4.550 0.013 0.000 0.342 42 Y C -1.786 174.077 175.900 -0.062 0.000 1.062 42 Y CA -1.255 56.770 58.100 -0.125 0.000 1.023 42 Y CB 1.253 39.630 38.460 -0.139 0.000 1.308 42 Y HN 0.171 nan 8.280 nan 0.000 0.457 43 V N 4.581 124.490 119.914 -0.009 0.000 2.623 43 V HA 0.469 4.597 4.120 0.014 0.000 0.304 43 V C -1.377 174.721 176.094 0.006 0.000 1.054 43 V CA -0.978 61.293 62.300 -0.048 0.000 0.882 43 V CB 1.260 33.011 31.823 -0.120 0.000 1.002 43 V HN 0.721 nan 8.190 nan 0.000 0.424 44 F N 6.630 126.572 119.950 -0.012 0.000 2.541 44 F HA 0.432 4.966 4.527 0.013 0.000 0.378 44 F C 0.692 176.324 175.800 -0.279 0.000 1.068 44 F CA 0.750 58.737 58.000 -0.020 0.000 1.199 44 F CB 0.995 40.031 39.000 0.060 0.000 1.091 44 F HN 0.497 nan 8.300 nan 0.000 0.555 45 V N 0.744 120.570 119.914 -0.147 0.000 3.165 45 V HA 1.036 5.164 4.120 0.014 0.000 0.307 45 V C 0.461 176.521 176.094 -0.057 0.000 1.281 45 V CA -0.491 61.585 62.300 -0.373 0.000 1.056 45 V CB 0.789 32.328 31.823 -0.473 0.000 1.178 45 V HN 1.196 nan 8.190 nan 0.000 0.475 46 G N 0.687 109.506 108.800 0.031 0.000 2.698 46 G HA2 -0.159 3.809 3.960 0.014 0.000 0.233 46 G HA3 -0.159 3.809 3.960 0.014 0.000 0.233 46 G C 0.874 175.946 174.900 0.287 0.000 1.352 46 G CA 1.031 46.233 45.100 0.169 0.000 0.879 46 G HN 2.379 nan 8.290 nan 0.000 0.567 47 S N -1.537 114.352 115.700 0.315 0.000 2.387 47 S HA -0.107 4.371 4.470 0.014 0.000 0.226 47 S C 2.045 176.938 174.600 0.489 0.000 1.026 47 S CA 2.079 60.512 58.200 0.389 0.000 0.972 47 S CB -0.400 63.052 63.200 0.419 0.000 0.814 47 S HN 1.389 nan 8.310 nan 0.000 0.477 48 Y N 2.854 123.332 120.300 0.298 0.000 2.165 48 Y HA -0.010 4.548 4.550 0.013 0.000 0.286 48 Y C 2.524 178.599 175.900 0.291 0.000 1.155 48 Y CA 1.043 59.265 58.100 0.203 0.000 1.164 48 Y CB -0.876 37.530 38.460 -0.090 0.000 0.978 48 Y HN 0.352 nan 8.280 nan 0.000 0.513 49 A N -0.084 122.873 122.820 0.228 0.000 2.119 49 A HA -0.017 4.312 4.320 0.014 0.000 0.217 49 A C 2.051 179.817 177.584 0.305 0.000 1.153 49 A CA 1.084 53.223 52.037 0.170 0.000 0.692 49 A CB -0.366 18.691 19.000 0.095 0.000 0.799 49 A HN 0.545 nan 8.150 nan 0.000 0.458 50 R N -1.658 119.025 120.500 0.305 0.000 2.334 50 R HA 0.124 4.472 4.340 0.014 0.000 0.212 50 R C 0.190 176.570 176.300 0.133 0.000 0.897 50 R CA 0.340 56.565 56.100 0.208 0.000 1.056 50 R CB 0.089 30.511 30.300 0.203 0.000 1.046 50 R HN 0.442 nan 8.270 nan 0.000 0.513 51 N N 0.926 119.735 118.700 0.182 0.000 2.726 51 N HA -0.150 4.598 4.740 0.014 0.000 0.253 51 N C -0.381 175.137 175.510 0.012 0.000 1.059 51 N CA 1.187 54.312 53.050 0.126 0.000 0.701 51 N CB -0.975 37.507 38.487 -0.008 0.000 0.899 51 N HN 0.402 nan 8.380 nan 0.000 0.548 52 T N -3.387 111.267 114.554 0.167 0.000 3.209 52 T HA 0.255 4.613 4.350 0.014 0.000 0.295 52 T C 0.422 175.209 174.700 0.144 0.000 0.977 52 T CA -0.240 61.913 62.100 0.087 0.000 0.922 52 T CB -0.744 68.212 68.868 0.146 0.000 1.152 52 T HN 0.444 nan 8.240 nan 0.000 0.527 53 W N 1.933 123.302 121.300 0.116 0.000 2.129 53 W HA 0.697 5.365 4.660 0.014 0.000 0.349 53 W C -0.611 175.955 176.519 0.078 0.000 1.279 53 W CA -1.467 55.955 57.345 0.127 0.000 1.306 53 W CB 0.418 29.982 29.460 0.174 0.000 1.140 53 W HN -0.161 nan 8.180 nan 0.000 0.613 54 L N 3.182 124.520 121.223 0.192 0.000 2.399 54 L HA 0.202 4.550 4.340 0.014 0.000 0.266 54 L C 0.803 177.751 176.870 0.130 0.000 1.114 54 L CA -0.979 53.885 54.840 0.040 0.000 0.804 54 L CB 0.660 42.750 42.059 0.052 0.000 1.146 54 L HN 0.687 nan 8.230 nan 0.000 0.451 55 K N 1.096 121.505 120.400 0.015 0.000 2.504 55 K HA 0.057 4.386 4.320 0.014 0.000 0.278 55 K C 0.958 177.653 176.600 0.159 0.000 1.025 55 K CA 1.013 57.351 56.287 0.085 0.000 1.093 55 K CB 0.065 32.576 32.500 0.018 0.000 0.873 55 K HN 0.855 nan 8.250 nan 0.000 0.483 56 G N 2.355 111.285 108.800 0.216 0.000 2.155 56 G HA2 -0.282 3.686 3.960 0.014 0.000 0.257 56 G HA3 -0.282 3.686 3.960 0.014 0.000 0.257 56 G C 0.293 175.306 174.900 0.188 0.000 0.983 56 G CA 0.639 45.843 45.100 0.174 0.000 0.676 56 G HN 0.600 nan 8.290 nan 0.000 0.528 57 S N -0.403 115.464 115.700 0.278 0.000 2.592 57 S HA 0.521 4.999 4.470 0.014 0.000 0.243 57 S C 0.487 175.241 174.600 0.256 0.000 1.160 57 S CA -0.441 57.916 58.200 0.261 0.000 1.145 57 S CB -0.206 63.156 63.200 0.271 0.000 0.909 57 S HN 0.526 nan 8.310 nan 0.000 0.487 58 L N 2.623 123.913 121.223 0.111 0.000 2.315 58 L HA 0.497 4.845 4.340 0.014 0.000 0.283 58 L C -0.206 176.563 176.870 -0.169 0.000 1.089 58 L CA 0.265 54.951 54.840 -0.255 0.000 0.833 58 L CB 0.654 42.544 42.059 -0.282 0.000 1.170 58 L HN 0.431 nan 8.230 nan 0.000 0.442 59 E N 5.332 125.428 120.200 -0.173 0.000 2.275 59 E HA 0.408 4.766 4.350 0.014 0.000 0.270 59 E C -1.254 175.275 176.600 -0.117 0.000 0.882 59 E CA -0.713 55.641 56.400 -0.077 0.000 0.758 59 E CB 1.999 31.741 29.700 0.071 0.000 1.195 59 E HN 0.553 nan 8.360 nan 0.000 0.419 60 I N 2.935 123.410 120.570 -0.160 0.000 2.440 60 I HA 0.261 4.439 4.170 0.014 0.000 0.294 60 I C -0.267 175.842 176.117 -0.013 0.000 0.995 60 I CA -0.555 60.663 61.300 -0.137 0.000 1.306 60 I CB 1.146 38.990 38.000 -0.261 0.000 1.407 60 I HN 0.345 nan 8.210 nan 0.000 0.501 61 D N 5.847 126.283 120.400 0.059 0.000 2.381 61 D HA 0.384 5.032 4.640 0.014 0.000 0.235 61 D C -0.871 175.395 176.300 -0.057 0.000 1.068 61 D CA -0.129 53.910 54.000 0.064 0.000 0.832 61 D CB 2.531 43.415 40.800 0.140 0.000 1.101 61 D HN 0.069 nan 8.370 nan 0.000 0.515 62 V N 2.870 122.712 119.914 -0.121 0.000 2.448 62 V HA 0.410 4.538 4.120 0.014 0.000 0.295 62 V C -0.515 175.574 176.094 -0.009 0.000 1.025 62 V CA -0.833 61.301 62.300 -0.275 0.000 0.859 62 V CB 1.349 32.868 31.823 -0.507 0.000 0.988 62 V HN 0.313 nan 8.190 nan 0.000 0.431 63 F N 4.553 124.385 119.950 -0.196 0.000 2.427 63 F HA 0.644 5.179 4.527 0.014 0.000 0.346 63 F C 0.013 175.746 175.800 -0.112 0.000 1.120 63 F CA -0.857 57.067 58.000 -0.126 0.000 1.033 63 F CB 1.712 40.637 39.000 -0.125 0.000 1.126 63 F HN 0.289 nan 8.300 nan 0.000 0.462 64 L N 5.356 126.520 121.223 -0.099 0.000 2.265 64 L HA 0.369 4.717 4.340 0.014 0.000 0.288 64 L C -0.875 175.831 176.870 -0.272 0.000 1.058 64 L CA -0.691 54.024 54.840 -0.209 0.000 0.809 64 L CB 0.529 42.444 42.059 -0.240 0.000 1.179 64 L HN 0.310 nan 8.230 nan 0.000 0.429 65 L N 4.609 125.624 121.223 -0.345 0.000 2.257 65 L HA 0.432 4.780 4.340 0.014 0.000 0.290 65 L C -0.476 176.102 176.870 -0.488 0.000 1.044 65 L CA 0.471 55.154 54.840 -0.261 0.000 0.810 65 L CB 0.199 42.168 42.059 -0.151 0.000 1.193 65 L HN 0.261 nan 8.230 nan 0.000 0.425 66 F N 4.169 123.994 119.950 -0.209 0.000 2.480 66 F HA 0.573 5.108 4.527 0.013 0.000 0.329 66 F C -1.833 173.876 175.800 -0.153 0.000 1.091 66 F CA -2.451 55.319 58.000 -0.384 0.000 0.972 66 F CB 1.252 39.875 39.000 -0.628 0.000 1.150 66 F HN 0.348 nan 8.300 nan 0.000 0.467 67 P HA -0.018 nan 4.420 nan 0.000 0.267 67 P C 0.593 178.112 177.300 0.365 0.000 1.200 67 P CA 0.180 63.392 63.100 0.185 0.000 0.772 67 P CB 0.613 32.436 31.700 0.204 0.000 0.855 68 E N 1.076 121.440 120.200 0.274 0.000 2.333 68 E HA -0.214 4.145 4.350 0.014 0.000 0.198 68 E C 0.997 177.677 176.600 0.134 0.000 1.007 68 E CA 0.951 57.451 56.400 0.166 0.000 0.845 68 E CB 0.110 29.838 29.700 0.046 0.000 0.766 68 E HN 0.494 nan 8.360 nan 0.000 0.507 69 E N -0.394 119.950 120.200 0.239 0.000 2.152 69 E HA -0.091 4.267 4.350 0.014 0.000 0.192 69 E C -0.050 176.711 176.600 0.268 0.000 0.983 69 E CA 0.096 56.618 56.400 0.203 0.000 0.818 69 E CB -0.011 29.802 29.700 0.189 0.000 0.758 69 E HN 0.087 nan 8.360 nan 0.000 0.467 70 F N 2.185 122.247 119.950 0.187 0.000 2.623 70 F HA -0.095 4.440 4.527 0.014 0.000 0.383 70 F C 1.263 177.181 175.800 0.196 0.000 1.077 70 F CA -0.158 57.945 58.000 0.172 0.000 1.268 70 F CB 0.186 39.275 39.000 0.149 0.000 1.053 70 F HN -0.131 nan 8.300 nan 0.000 0.571 71 S N 4.088 119.856 115.700 0.113 0.000 2.596 71 S HA 0.094 4.573 4.470 0.014 0.000 0.260 71 S C 1.447 176.149 174.600 0.170 0.000 1.336 71 S CA -0.587 57.670 58.200 0.096 0.000 0.993 71 S CB 0.841 64.035 63.200 -0.010 0.000 0.923 71 S HN 0.779 nan 8.310 nan 0.000 0.567 72 K N 0.577 121.060 120.400 0.138 0.000 2.074 72 K HA -0.223 4.105 4.320 0.014 0.000 0.209 72 K C 2.046 178.658 176.600 0.020 0.000 1.048 72 K CA 2.013 58.372 56.287 0.120 0.000 0.926 72 K CB -0.388 32.163 32.500 0.084 0.000 0.713 72 K HN 0.864 nan 8.250 nan 0.000 0.444 73 E N -0.002 120.195 120.200 -0.005 0.000 2.107 73 E HA -0.146 4.212 4.350 0.014 0.000 0.191 73 E C 1.815 178.366 176.600 -0.082 0.000 0.982 73 E CA 0.735 57.110 56.400 -0.043 0.000 0.809 73 E CB 0.220 29.897 29.700 -0.038 0.000 0.756 73 E HN 0.260 nan 8.360 nan 0.000 0.459 74 E N 0.508 120.650 120.200 -0.096 0.000 2.158 74 E HA -0.127 4.231 4.350 0.014 0.000 0.191 74 E C 2.182 178.700 176.600 -0.137 0.000 0.982 74 E CA 0.197 56.511 56.400 -0.143 0.000 0.823 74 E CB -0.033 29.476 29.700 -0.317 0.000 0.766 74 E HN 0.238 nan 8.360 nan 0.000 0.468 75 L N 1.472 122.604 121.223 -0.153 0.000 2.042 75 L HA -0.199 4.149 4.340 0.014 0.000 0.210 75 L C 2.554 179.168 176.870 -0.428 0.000 1.076 75 L CA 1.776 56.325 54.840 -0.485 0.000 0.749 75 L CB -0.278 41.517 42.059 -0.439 0.000 0.893 75 L HN -0.037 nan 8.230 nan 0.000 0.432 76 R N -0.785 119.556 120.500 -0.265 0.000 2.064 76 R HA -0.146 4.202 4.340 0.014 0.000 0.228 76 R C 2.210 178.407 176.300 -0.172 0.000 1.144 76 R CA 1.627 57.591 56.100 -0.226 0.000 0.932 76 R CB -0.288 29.921 30.300 -0.153 0.000 0.833 76 R HN 0.369 nan 8.270 nan 0.000 0.429 77 E N 0.355 120.478 120.200 -0.128 0.000 2.058 77 E HA -0.226 4.132 4.350 0.014 0.000 0.194 77 E C 2.096 178.648 176.600 -0.079 0.000 0.997 77 E CA 1.195 57.543 56.400 -0.088 0.000 0.801 77 E CB -0.258 29.401 29.700 -0.068 0.000 0.746 77 E HN 0.158 nan 8.360 nan 0.000 0.450 78 R N 0.403 120.849 120.500 -0.089 0.000 2.092 78 R HA -0.046 4.302 4.340 0.014 0.000 0.231 78 R C 2.259 178.587 176.300 0.047 0.000 1.119 78 R CA 1.576 57.674 56.100 -0.003 0.000 0.970 78 R CB -0.877 29.464 30.300 0.068 0.000 0.864 78 R HN 0.224 nan 8.270 nan 0.000 0.440 79 G N -0.015 108.745 108.800 -0.065 0.000 2.402 79 G HA2 -0.173 3.795 3.960 0.014 0.000 0.216 79 G HA3 -0.173 3.795 3.960 0.014 0.000 0.216 79 G C 1.089 175.965 174.900 -0.040 0.000 1.162 79 G CA 0.418 45.545 45.100 0.046 0.000 0.777 79 G HN 0.215 nan 8.290 nan 0.000 0.539 80 L N 0.874 122.038 121.223 -0.099 0.000 2.083 80 L HA 0.013 4.361 4.340 0.014 0.000 0.209 80 L C 2.608 179.394 176.870 -0.139 0.000 1.083 80 L CA 1.760 56.525 54.840 -0.124 0.000 0.752 80 L CB -0.802 41.190 42.059 -0.112 0.000 0.899 80 L HN 0.445 nan 8.230 nan 0.000 0.433 81 E N -0.257 119.887 120.200 -0.094 0.000 2.077 81 E HA -0.230 4.128 4.350 0.014 0.000 0.193 81 E C 2.328 178.876 176.600 -0.086 0.000 0.989 81 E CA 1.334 57.682 56.400 -0.087 0.000 0.800 81 E CB -0.075 29.603 29.700 -0.038 0.000 0.746 81 E HN 0.499 nan 8.360 nan 0.000 0.452 82 I N 0.593 121.133 120.570 -0.050 0.000 2.286 82 I HA -0.131 4.047 4.170 0.014 0.000 0.245 82 I C 2.555 178.607 176.117 -0.108 0.000 1.104 82 I CA 1.060 62.325 61.300 -0.058 0.000 1.397 82 I CB -0.414 37.572 38.000 -0.023 0.000 1.072 82 I HN 0.223 nan 8.210 nan 0.000 0.417 83 G N 0.798 109.524 108.800 -0.123 0.000 2.418 83 G HA2 -0.247 3.721 3.960 0.014 0.000 0.217 83 G HA3 -0.247 3.721 3.960 0.014 0.000 0.217 83 G C 1.728 176.506 174.900 -0.202 0.000 1.158 83 G CA 0.720 45.732 45.100 -0.148 0.000 0.771 83 G HN 0.285 nan 8.290 nan 0.000 0.545 84 K N 0.494 120.707 120.400 -0.312 0.000 2.097 84 K HA 0.154 4.482 4.320 0.014 0.000 0.205 84 K C 2.862 179.336 176.600 -0.210 0.000 1.050 84 K CA 0.978 56.965 56.287 -0.500 0.000 0.938 84 K CB -0.190 31.886 32.500 -0.707 0.000 0.718 84 K HN 0.255 nan 8.250 nan 0.000 0.442 85 A N 0.395 123.130 122.820 -0.142 0.000 1.969 85 A HA -0.081 4.247 4.320 0.014 0.000 0.218 85 A C 2.127 179.677 177.584 -0.056 0.000 1.169 85 A CA 1.200 53.194 52.037 -0.073 0.000 0.635 85 A CB -0.188 18.774 19.000 -0.064 0.000 0.810 85 A HN 0.116 nan 8.150 nan 0.000 0.445 86 V N -0.354 119.513 119.914 -0.078 0.000 3.590 86 V HA 0.226 4.354 4.120 0.014 0.000 0.265 86 V C 0.267 176.326 176.094 -0.057 0.000 1.239 86 V CA 0.433 62.686 62.300 -0.078 0.000 1.117 86 V CB -0.203 31.548 31.823 -0.120 0.000 0.818 86 V HN 0.401 nan 8.190 nan 0.000 0.451 87 L N -0.245 120.958 121.223 -0.032 0.000 2.329 87 L HA 0.476 4.824 4.340 0.014 0.000 0.279 87 L C 0.840 177.736 176.870 0.045 0.000 1.014 87 L CA -0.734 54.104 54.840 -0.003 0.000 0.814 87 L CB 1.614 43.677 42.059 0.005 0.000 1.257 87 L HN 0.025 nan 8.230 nan 0.000 0.424 88 D N 0.707 121.117 120.400 0.017 0.000 2.092 88 D HA -0.079 4.569 4.640 0.014 0.000 0.193 88 D C 0.423 176.740 176.300 0.028 0.000 0.994 88 D CA 1.458 55.468 54.000 0.017 0.000 0.828 88 D CB 0.215 41.011 40.800 -0.007 0.000 0.963 88 D HN 0.440 nan 8.370 nan 0.000 0.450 89 S N -1.150 114.559 115.700 0.015 0.000 2.607 89 S HA 0.603 5.081 4.470 0.014 0.000 0.303 89 S C -0.703 173.930 174.600 0.055 0.000 1.086 89 S CA -0.872 57.315 58.200 -0.022 0.000 0.995 89 S CB 2.011 65.179 63.200 -0.052 0.000 1.084 89 S HN 0.290 nan 8.310 nan 0.000 0.507 90 Y N -1.091 119.190 120.300 -0.031 0.000 2.552 90 Y HA 0.745 5.303 4.550 0.013 0.000 0.337 90 Y C -1.423 174.476 175.900 -0.001 0.000 1.094 90 Y CA -1.076 57.008 58.100 -0.027 0.000 1.028 90 Y CB 0.810 39.250 38.460 -0.033 0.000 1.321 90 Y HN 0.631 nan 8.280 nan 0.000 0.456 91 E N 3.639 123.975 120.200 0.227 0.000 2.293 91 E HA 0.654 5.012 4.350 0.014 0.000 0.270 91 E C -1.525 175.179 176.600 0.174 0.000 0.879 91 E CA -0.989 55.506 56.400 0.158 0.000 0.756 91 E CB 3.221 32.989 29.700 0.114 0.000 1.208 91 E HN 0.661 nan 8.360 nan 0.000 0.428 92 I N 2.431 123.073 120.570 0.120 0.000 2.437 92 I HA 0.383 4.562 4.170 0.014 0.000 0.279 92 I C -0.690 175.405 176.117 -0.037 0.000 1.028 92 I CA -0.465 60.865 61.300 0.049 0.000 1.142 92 I CB 0.978 39.034 38.000 0.093 0.000 1.266 92 I HN 0.284 nan 8.210 nan 0.000 0.461 93 R N 6.236 126.687 120.500 -0.082 0.000 2.512 93 R HA 0.575 4.923 4.340 0.014 0.000 0.291 93 R C -1.854 174.410 176.300 -0.061 0.000 1.097 93 R CA -0.634 55.389 56.100 -0.128 0.000 0.940 93 R CB 1.157 31.423 30.300 -0.056 0.000 1.198 93 R HN 0.516 nan 8.270 nan 0.000 0.429 94 Y N 0.444 120.702 120.300 -0.070 0.000 2.689 94 Y HA 0.720 5.278 4.550 0.013 0.000 0.333 94 Y C -0.342 175.603 175.900 0.074 0.000 1.208 94 Y CA -0.652 57.467 58.100 0.032 0.000 1.055 94 Y CB 1.055 39.519 38.460 0.008 0.000 1.304 94 Y HN 0.338 nan 8.280 nan 0.000 0.455 95 A N -0.201 122.832 122.820 0.354 0.000 1.973 95 A HA 0.181 4.509 4.320 0.014 0.000 0.210 95 A C 1.459 179.204 177.584 0.267 0.000 1.200 95 A CA 1.461 53.635 52.037 0.228 0.000 0.707 95 A CB -0.043 19.088 19.000 0.218 0.000 0.862 95 A HN 0.829 nan 8.150 nan 0.000 0.461 96 E N -1.826 118.606 120.200 0.387 0.000 3.777 96 E HA 0.012 4.370 4.350 0.014 0.000 0.247 96 E C -0.429 176.340 176.600 0.282 0.000 1.256 96 E CA -0.311 56.275 56.400 0.310 0.000 1.786 96 E CB -0.148 29.682 29.700 0.215 0.000 1.722 96 E HN 0.489 nan 8.360 nan 0.000 0.810 97 H N 3.972 123.119 119.070 0.128 0.000 2.742 97 H HA 0.284 4.849 4.556 0.014 0.000 0.302 97 H C -2.214 172.892 175.328 -0.371 0.000 1.069 97 H CA -1.535 54.481 56.048 -0.054 0.000 1.446 97 H CB 1.157 30.909 29.762 -0.017 0.000 1.462 97 H HN 0.046 nan 8.280 nan 0.000 0.499 98 P HA 0.108 nan 4.420 nan 0.000 0.281 98 P C -1.352 175.573 177.300 -0.625 0.000 1.252 98 P CA 0.190 62.398 63.100 -1.487 0.000 0.778 98 P CB 0.584 31.712 31.700 -0.952 0.000 0.895 99 Y N 0.094 120.069 120.300 -0.542 0.000 2.744 99 Y HA 0.703 5.261 4.550 0.014 0.000 0.330 99 Y C -1.670 174.193 175.900 -0.063 0.000 1.263 99 Y CA -1.478 56.494 58.100 -0.214 0.000 1.065 99 Y CB 0.644 39.038 38.460 -0.110 0.000 1.306 99 Y HN 0.060 nan 8.280 nan 0.000 0.459 100 V N 1.614 121.548 119.914 0.033 0.000 2.444 100 V HA 0.313 4.441 4.120 0.014 0.000 0.294 100 V C -1.015 175.181 176.094 0.171 0.000 1.022 100 V CA -0.494 61.804 62.300 -0.004 0.000 0.850 100 V CB 0.882 32.667 31.823 -0.063 0.000 0.992 100 V HN 0.909 nan 8.190 nan 0.000 0.426 101 H N 2.664 121.774 119.070 0.066 0.000 2.487 101 H HA 0.807 5.371 4.556 0.014 0.000 0.333 101 H C 0.235 175.629 175.328 0.109 0.000 1.114 101 H CA 0.871 57.003 56.048 0.140 0.000 1.310 101 H CB 1.661 31.523 29.762 0.167 0.000 1.462 101 H HN 0.899 nan 8.280 nan 0.000 0.516 102 G N 1.791 110.326 108.800 -0.441 0.000 2.561 102 G HA2 0.460 4.429 3.960 0.014 0.000 0.310 102 G HA3 0.460 4.429 3.960 0.014 0.000 0.310 102 G C -1.844 172.882 174.900 -0.290 0.000 1.292 102 G CA -0.331 44.627 45.100 -0.237 0.000 0.811 102 G HN 0.634 nan 8.290 nan 0.000 0.482 103 V N -0.378 119.456 119.914 -0.133 0.000 2.709 103 V HA 0.716 4.844 4.120 0.014 0.000 0.308 103 V C -0.729 175.323 176.094 -0.070 0.000 1.062 103 V CA -0.704 61.534 62.300 -0.103 0.000 0.901 103 V CB 1.707 33.492 31.823 -0.063 0.000 1.003 103 V HN 0.648 nan 8.190 nan 0.000 0.425 104 V N 4.371 124.241 119.914 -0.072 0.000 2.482 104 V HA 0.445 4.574 4.120 0.014 0.000 0.295 104 V C 0.287 176.352 176.094 -0.047 0.000 1.026 104 V CA -0.949 61.319 62.300 -0.053 0.000 0.856 104 V CB 1.583 33.373 31.823 -0.056 0.000 1.001 104 V HN 0.951 nan 8.190 nan 0.000 0.424 105 K N 3.871 124.252 120.400 -0.031 0.000 3.012 105 K HA -0.263 4.065 4.320 0.014 0.000 0.259 105 K C 1.039 177.625 176.600 -0.024 0.000 0.989 105 K CA 0.803 57.076 56.287 -0.023 0.000 0.728 105 K CB -1.318 31.171 32.500 -0.019 0.000 1.260 105 K HN 1.571 nan 8.250 nan 0.000 0.480 106 G N -1.642 107.142 108.800 -0.027 0.000 2.157 106 G HA2 -0.254 3.714 3.960 0.014 0.000 0.239 106 G HA3 -0.254 3.714 3.960 0.014 0.000 0.239 106 G C 0.006 174.887 174.900 -0.032 0.000 0.982 106 G CA -0.039 45.048 45.100 -0.021 0.000 0.650 106 G HN 0.222 nan 8.290 nan 0.000 0.527 107 V N 1.804 121.683 119.914 -0.059 0.000 2.459 107 V HA 0.480 4.608 4.120 0.014 0.000 0.295 107 V C 0.290 176.321 176.094 -0.106 0.000 1.029 107 V CA -1.317 60.930 62.300 -0.089 0.000 0.874 107 V CB 1.826 33.566 31.823 -0.138 0.000 0.985 107 V HN 0.301 nan 8.190 nan 0.000 0.438 108 E N 3.250 123.397 120.200 -0.088 0.000 2.414 108 E HA 0.306 4.664 4.350 0.014 0.000 0.263 108 E C -0.731 175.783 176.600 -0.143 0.000 1.000 108 E CA 0.103 56.438 56.400 -0.108 0.000 0.914 108 E CB 1.503 31.240 29.700 0.060 0.000 0.948 108 E HN 0.401 nan 8.360 nan 0.000 0.444 109 V N 2.391 122.162 119.914 -0.237 0.000 2.888 109 V HA 0.222 4.350 4.120 0.014 0.000 0.309 109 V C -0.647 175.409 176.094 -0.064 0.000 1.114 109 V CA -1.060 61.157 62.300 -0.139 0.000 0.940 109 V CB 2.483 34.223 31.823 -0.139 0.000 1.021 109 V HN 0.483 nan 8.190 nan 0.000 0.426 110 D N 2.292 122.726 120.400 0.056 0.000 2.303 110 D HA 0.525 5.173 4.640 0.014 0.000 0.236 110 D C -0.628 175.684 176.300 0.020 0.000 1.068 110 D CA -0.087 53.998 54.000 0.143 0.000 0.830 110 D CB 2.218 43.091 40.800 0.121 0.000 1.109 110 D HN 0.289 nan 8.370 nan 0.000 0.496 111 V N 2.920 122.849 119.914 0.024 0.000 2.328 111 V HA 0.332 4.460 4.120 0.014 0.000 0.278 111 V C 0.119 176.163 176.094 -0.084 0.000 1.021 111 V CA -0.733 61.521 62.300 -0.077 0.000 0.838 111 V CB 1.542 33.305 31.823 -0.100 0.000 0.999 111 V HN 0.239 nan 8.190 nan 0.000 0.447 112 V N 7.729 127.480 119.914 -0.272 0.000 2.378 112 V HA 0.431 4.559 4.120 0.014 0.000 0.288 112 V C -2.232 173.593 176.094 -0.448 0.000 1.016 112 V CA -1.901 60.135 62.300 -0.440 0.000 0.840 112 V CB 2.038 33.284 31.823 -0.962 0.000 0.994 112 V HN 0.676 nan 8.190 nan 0.000 0.431 113 P HA 0.411 nan 4.420 nan 0.000 0.275 113 P C -0.583 176.693 177.300 -0.039 0.000 1.228 113 P CA -0.049 63.038 63.100 -0.022 0.000 0.786 113 P CB 1.367 33.045 31.700 -0.036 0.000 0.927 114 C N 1.522 120.832 119.300 0.016 0.000 3.321 114 C HA 0.563 5.031 4.460 0.014 0.000 0.329 114 C C -1.255 173.717 174.990 -0.030 0.000 1.394 114 C CA -1.038 57.983 59.018 0.006 0.000 1.291 114 C CB 0.284 28.115 27.740 0.152 0.000 1.606 114 C HN 0.489 nan 8.230 nan 0.000 0.463 115 Y N 1.094 121.506 120.300 0.187 0.000 2.327 115 Y HA 0.421 4.979 4.550 0.013 0.000 0.336 115 Y C 1.031 177.017 175.900 0.144 0.000 1.035 115 Y CA -0.054 58.142 58.100 0.159 0.000 1.165 115 Y CB 0.919 39.462 38.460 0.137 0.000 1.181 115 Y HN 0.680 nan 8.280 nan 0.000 0.494 116 K N 6.774 127.323 120.400 0.249 0.000 2.111 116 K HA 0.192 4.520 4.320 0.014 0.000 0.249 116 K C -0.806 175.917 176.600 0.205 0.000 1.157 116 K CA -0.153 56.236 56.287 0.170 0.000 1.048 116 K CB -0.568 31.971 32.500 0.065 0.000 1.498 116 K HN 0.731 nan 8.250 nan 0.000 0.344 117 L N 0.052 121.435 121.223 0.267 0.000 2.365 117 L HA 0.639 4.987 4.340 0.014 0.000 0.267 117 L C -0.771 176.250 176.870 0.253 0.000 1.033 117 L CA -1.215 53.750 54.840 0.209 0.000 0.802 117 L CB 0.866 43.011 42.059 0.143 0.000 1.267 117 L HN 0.013 nan 8.230 nan 0.000 0.457 118 K N 1.425 121.910 120.400 0.142 0.000 2.211 118 K HA 0.362 4.690 4.320 0.014 0.000 0.275 118 K C -1.096 175.497 176.600 -0.012 0.000 1.024 118 K CA -0.139 56.219 56.287 0.118 0.000 0.887 118 K CB 0.630 33.180 32.500 0.084 0.000 1.084 118 K HN 0.627 nan 8.250 nan 0.000 0.463 119 E N 2.083 122.201 120.200 -0.137 0.000 7.524 119 E HA -0.123 4.235 4.350 0.014 0.000 0.404 119 E C -2.361 173.983 176.600 -0.427 0.000 0.526 119 E CA 0.084 56.308 56.400 -0.293 0.000 0.977 119 E CB -0.389 29.231 29.700 -0.133 0.000 0.947 119 E HN 0.375 nan 8.360 nan 0.000 0.263 120 P HA 0.080 nan 4.420 nan 0.000 0.253 120 P C 0.088 177.255 177.300 -0.223 0.000 1.508 120 P CA 0.334 63.146 63.100 -0.480 0.000 0.883 120 P CB 0.345 31.681 31.700 -0.606 0.000 1.519 121 K N 0.950 121.248 120.400 -0.171 0.000 2.095 121 K HA 0.208 4.536 4.320 0.014 0.000 0.252 121 K C 0.675 177.235 176.600 -0.067 0.000 0.977 121 K CA -0.623 55.608 56.287 -0.094 0.000 0.900 121 K CB 0.287 32.741 32.500 -0.076 0.000 1.060 121 K HN -0.162 nan 8.250 nan 0.000 0.449 122 N N 1.276 119.951 118.700 -0.042 0.000 2.740 122 N HA -0.225 4.523 4.740 0.014 0.000 0.248 122 N C -0.591 174.903 175.510 -0.027 0.000 1.062 122 N CA 0.261 53.294 53.050 -0.029 0.000 0.704 122 N CB -1.464 37.005 38.487 -0.030 0.000 0.968 122 N HN 0.624 nan 8.380 nan 0.000 0.547 123 I N 0.220 120.778 120.570 -0.021 0.000 2.845 123 I HA -0.207 3.971 4.170 0.014 0.000 0.296 123 I C 1.605 177.731 176.117 0.015 0.000 1.216 123 I CA 0.744 62.044 61.300 -0.001 0.000 1.438 123 I CB 0.518 38.520 38.000 0.003 0.000 1.342 123 I HN 0.283 nan 8.210 nan 0.000 0.577 124 K N 4.092 124.512 120.400 0.033 0.000 2.108 124 K HA 0.036 4.364 4.320 0.014 0.000 0.204 124 K C 0.611 177.296 176.600 0.141 0.000 1.036 124 K CA 0.511 56.801 56.287 0.005 0.000 0.965 124 K CB 0.176 32.563 32.500 -0.188 0.000 0.804 124 K HN 0.651 nan 8.250 nan 0.000 0.454 125 S N -1.239 114.630 115.700 0.282 0.000 2.593 125 S HA 0.542 5.020 4.470 0.014 0.000 0.297 125 S C 0.810 175.496 174.600 0.143 0.000 1.112 125 S CA -0.305 58.079 58.200 0.307 0.000 1.043 125 S CB 1.679 65.147 63.200 0.445 0.000 1.054 125 S HN 0.278 nan 8.310 nan 0.000 0.516 126 A N 1.908 124.788 122.820 0.100 0.000 2.125 126 A HA 0.031 4.359 4.320 0.014 0.000 0.219 126 A C 1.657 179.184 177.584 -0.096 0.000 1.156 126 A CA 1.673 53.712 52.037 0.004 0.000 0.671 126 A CB -0.968 18.054 19.000 0.037 0.000 0.794 126 A HN 1.608 nan 8.150 nan 0.000 0.459 127 V N -4.253 115.539 119.914 -0.204 0.000 3.483 127 V HA 0.175 4.303 4.120 0.014 0.000 0.301 127 V C 0.688 176.796 176.094 0.023 0.000 1.389 127 V CA 0.646 62.856 62.300 -0.150 0.000 1.101 127 V CB -0.076 31.547 31.823 -0.333 0.000 0.971 127 V HN 0.178 nan 8.190 nan 0.000 0.434 128 D N 2.720 123.145 120.400 0.042 0.000 2.309 128 D HA -0.122 4.526 4.640 0.014 0.000 0.212 128 D C 2.244 178.597 176.300 0.088 0.000 0.968 128 D CA 1.612 55.686 54.000 0.124 0.000 0.882 128 D CB -0.037 40.854 40.800 0.152 0.000 0.918 128 D HN 0.759 nan 8.370 nan 0.000 0.503 129 R N -0.386 120.055 120.500 -0.098 0.000 2.276 129 R HA 0.138 4.486 4.340 0.014 0.000 0.196 129 R C 1.611 177.543 176.300 -0.614 0.000 0.961 129 R CA 0.514 56.463 56.100 -0.252 0.000 1.024 129 R CB -0.592 29.521 30.300 -0.311 0.000 0.940 129 R HN -0.131 nan 8.270 nan 0.000 0.480 130 T N 2.384 116.593 114.554 -0.576 0.000 2.684 130 T HA -0.056 4.302 4.350 0.014 0.000 0.267 130 T C -0.951 173.452 174.700 -0.495 0.000 1.036 130 T CA 1.435 63.151 62.100 -0.641 0.000 1.148 130 T CB -0.782 67.712 68.868 -0.624 0.000 0.863 130 T HN 0.278 nan 8.240 nan 0.000 0.436 131 P HA 0.051 nan 4.420 nan 0.000 0.221 131 P C 0.911 178.043 177.300 -0.281 0.000 1.150 131 P CA 0.826 63.685 63.100 -0.402 0.000 0.800 131 P CB -0.223 31.213 31.700 -0.440 0.000 0.787 132 F N -1.583 118.305 119.950 -0.103 0.000 2.293 132 F HA -0.051 4.484 4.527 0.013 0.000 0.297 132 F C 2.484 178.358 175.800 0.123 0.000 1.089 132 F CA 1.079 59.086 58.000 0.012 0.000 1.377 132 F CB -1.179 37.814 39.000 -0.012 0.000 1.051 132 F HN 0.097 nan 8.300 nan 0.000 0.511 133 H N -2.102 117.021 119.070 0.087 0.000 2.352 133 H HA -0.244 4.321 4.556 0.014 0.000 0.299 133 H C 1.979 177.394 175.328 0.144 0.000 1.097 133 H CA 1.595 57.624 56.048 -0.032 0.000 1.311 133 H CB -0.151 29.292 29.762 -0.533 0.000 1.377 133 H HN 0.284 nan 8.280 nan 0.000 0.504 134 H N 0.840 119.984 119.070 0.123 0.000 2.395 134 H HA -0.020 4.544 4.556 0.014 0.000 0.299 134 H C 1.905 177.304 175.328 0.119 0.000 1.070 134 H CA 0.921 57.026 56.048 0.096 0.000 1.356 134 H CB 0.339 30.092 29.762 -0.016 0.000 1.401 134 H HN -0.011 nan 8.280 nan 0.000 0.524 135 K N -0.570 119.916 120.400 0.143 0.000 2.283 135 K HA -0.150 4.178 4.320 0.014 0.000 0.202 135 K C 1.798 178.481 176.600 0.139 0.000 1.048 135 K CA 0.786 57.131 56.287 0.095 0.000 0.948 135 K CB -0.424 32.131 32.500 0.092 0.000 0.742 135 K HN 0.451 nan 8.250 nan 0.000 0.458 136 W N 0.706 122.045 121.300 0.065 0.000 2.443 136 W HA -0.059 4.609 4.660 0.013 0.000 0.296 136 W C 1.415 177.954 176.519 0.033 0.000 1.202 136 W CA 0.531 57.923 57.345 0.079 0.000 1.312 136 W CB 0.069 29.620 29.460 0.151 0.000 1.120 136 W HN -0.104 nan 8.180 nan 0.000 0.536 137 L N 0.871 122.234 121.223 0.234 0.000 2.418 137 L HA -0.006 4.342 4.340 0.014 0.000 0.218 137 L C 1.991 178.792 176.870 -0.115 0.000 1.125 137 L CA 1.264 56.159 54.840 0.091 0.000 0.835 137 L CB -1.245 40.942 42.059 0.214 0.000 0.953 137 L HN 0.030 nan 8.230 nan 0.000 0.454 138 E N -0.175 119.897 120.200 -0.213 0.000 2.160 138 E HA -0.319 4.039 4.350 0.014 0.000 0.237 138 E C 1.965 178.476 176.600 -0.148 0.000 1.069 138 E CA 1.791 58.050 56.400 -0.236 0.000 0.950 138 E CB -0.501 29.096 29.700 -0.171 0.000 0.832 138 E HN 0.559 nan 8.360 nan 0.000 0.496 139 G N -0.542 108.169 108.800 -0.147 0.000 2.545 139 G HA2 -0.105 3.863 3.960 0.014 0.000 0.212 139 G HA3 -0.105 3.863 3.960 0.014 0.000 0.212 139 G C 1.305 176.124 174.900 -0.134 0.000 1.144 139 G CA -0.030 44.996 45.100 -0.123 0.000 0.813 139 G HN 0.054 nan 8.290 nan 0.000 0.531 140 R N -0.431 119.952 120.500 -0.195 0.000 2.193 140 R HA 0.043 4.391 4.340 0.014 0.000 0.229 140 R C 1.843 178.081 176.300 -0.104 0.000 1.110 140 R CA 0.698 56.673 56.100 -0.208 0.000 0.988 140 R CB -0.168 29.890 30.300 -0.404 0.000 0.871 140 R HN 0.360 nan 8.270 nan 0.000 0.458 141 I N 0.851 121.382 120.570 -0.065 0.000 3.783 141 I HA 0.001 4.179 4.170 0.014 0.000 0.310 141 I C -0.013 176.094 176.117 -0.017 0.000 1.274 141 I CA 0.244 61.538 61.300 -0.010 0.000 1.294 141 I CB 0.176 38.196 38.000 0.033 0.000 1.051 141 I HN -0.158 nan 8.210 nan 0.000 0.435 142 K N 0.496 120.873 120.400 -0.039 0.000 2.451 142 K HA 0.325 4.653 4.320 0.014 0.000 0.280 142 K C 1.192 177.772 176.600 -0.032 0.000 1.020 142 K CA 0.888 57.154 56.287 -0.037 0.000 1.008 142 K CB 0.010 32.483 32.500 -0.045 0.000 0.917 142 K HN 0.326 nan 8.250 nan 0.000 0.478 143 G N 2.604 111.386 108.800 -0.029 0.000 2.168 143 G HA2 -0.331 3.637 3.960 0.014 0.000 0.263 143 G HA3 -0.331 3.637 3.960 0.014 0.000 0.263 143 G C 0.542 175.432 174.900 -0.017 0.000 0.977 143 G CA 0.732 45.817 45.100 -0.026 0.000 0.659 143 G HN 0.662 nan 8.290 nan 0.000 0.533 144 K N -0.223 120.171 120.400 -0.010 0.000 2.517 144 K HA 0.126 4.454 4.320 0.014 0.000 0.210 144 K C 1.938 178.544 176.600 0.010 0.000 1.166 144 K CA 0.413 56.705 56.287 0.009 0.000 1.030 144 K CB 0.340 32.854 32.500 0.024 0.000 0.974 144 K HN 0.394 nan 8.250 nan 0.000 0.585 145 E N 0.630 120.824 120.200 -0.011 0.000 2.204 145 E HA -0.167 4.192 4.350 0.014 0.000 0.194 145 E C 0.802 177.372 176.600 -0.050 0.000 0.989 145 E CA 1.191 57.579 56.400 -0.021 0.000 0.824 145 E CB -0.066 29.609 29.700 -0.041 0.000 0.756 145 E HN 0.100 nan 8.360 nan 0.000 0.477 146 N N 0.977 119.641 118.700 -0.061 0.000 2.354 146 N HA -0.065 4.683 4.740 0.014 0.000 0.179 146 N C 1.542 177.010 175.510 -0.069 0.000 1.021 146 N CA 0.737 53.735 53.050 -0.087 0.000 0.887 146 N CB 0.008 38.440 38.487 -0.092 0.000 0.974 146 N HN 0.217 nan 8.380 nan 0.000 0.437 147 E N 0.276 120.467 120.200 -0.015 0.000 2.150 147 E HA -0.038 4.320 4.350 0.014 0.000 0.193 147 E C 1.928 178.563 176.600 0.060 0.000 0.985 147 E CA 0.406 56.831 56.400 0.041 0.000 0.814 147 E CB -0.119 29.634 29.700 0.088 0.000 0.752 147 E HN 0.143 nan 8.360 nan 0.000 0.466 148 V N 1.281 121.220 119.914 0.042 0.000 2.307 148 V HA -0.219 3.909 4.120 0.014 0.000 0.245 148 V C 2.458 178.553 176.094 0.000 0.000 1.045 148 V CA 1.620 63.955 62.300 0.058 0.000 1.024 148 V CB -0.449 31.416 31.823 0.070 0.000 0.651 148 V HN 0.154 nan 8.190 nan 0.000 0.449 149 R N -0.417 120.048 120.500 -0.057 0.000 2.083 149 R HA -0.146 4.202 4.340 0.014 0.000 0.237 149 R C 2.340 178.550 176.300 -0.150 0.000 1.137 149 R CA 1.601 57.634 56.100 -0.112 0.000 0.951 149 R CB -0.506 29.702 30.300 -0.153 0.000 0.851 149 R HN 0.413 nan 8.270 nan 0.000 0.434 150 L N 0.327 121.422 121.223 -0.213 0.000 2.013 150 L HA -0.252 4.096 4.340 0.014 0.000 0.212 150 L C 2.445 179.063 176.870 -0.420 0.000 1.073 150 L CA 1.040 55.622 54.840 -0.430 0.000 0.753 150 L CB -0.456 41.205 42.059 -0.665 0.000 0.890 150 L HN 0.241 nan 8.230 nan 0.000 0.432 151 L N -0.245 120.899 121.223 -0.132 0.000 2.056 151 L HA -0.183 4.165 4.340 0.014 0.000 0.207 151 L C 2.455 179.374 176.870 0.082 0.000 1.078 151 L CA 1.762 56.708 54.840 0.176 0.000 0.749 151 L CB -0.476 41.759 42.059 0.294 0.000 0.901 151 L HN 0.073 nan 8.230 nan 0.000 0.433 152 K N -0.589 119.775 120.400 -0.060 0.000 2.057 152 K HA -0.068 4.260 4.320 0.014 0.000 0.207 152 K C 2.002 178.424 176.600 -0.298 0.000 1.049 152 K CA 1.208 57.309 56.287 -0.310 0.000 0.931 152 K CB -0.698 31.560 32.500 -0.404 0.000 0.714 152 K HN 0.540 nan 8.250 nan 0.000 0.440 153 G N 0.720 109.447 108.800 -0.121 0.000 2.408 153 G HA2 -0.255 3.713 3.960 0.014 0.000 0.217 153 G HA3 -0.255 3.713 3.960 0.014 0.000 0.217 153 G C 1.332 176.278 174.900 0.078 0.000 1.150 153 G CA 0.291 45.386 45.100 -0.009 0.000 0.776 153 G HN 0.207 nan 8.290 nan 0.000 0.542 154 F N 1.028 120.932 119.950 -0.077 0.000 2.102 154 F HA 0.045 4.580 4.527 0.012 0.000 0.298 154 F C 2.448 178.189 175.800 -0.097 0.000 1.105 154 F CA 1.218 59.083 58.000 -0.225 0.000 1.239 154 F CB -0.095 38.822 39.000 -0.138 0.000 0.991 154 F HN 0.038 nan 8.300 nan 0.000 0.474 155 L N -0.065 121.227 121.223 0.115 0.000 2.056 155 L HA -0.195 4.154 4.340 0.014 0.000 0.207 155 L C 2.502 179.404 176.870 0.053 0.000 1.078 155 L CA 1.482 56.365 54.840 0.071 0.000 0.749 155 L CB -0.681 41.441 42.059 0.104 0.000 0.901 155 L HN 0.059 nan 8.230 nan 0.000 0.433 156 K N 0.294 120.696 120.400 0.004 0.000 2.057 156 K HA -0.176 4.152 4.320 0.014 0.000 0.207 156 K C 2.121 178.722 176.600 0.002 0.000 1.049 156 K CA 1.333 57.648 56.287 0.047 0.000 0.931 156 K CB -0.101 32.378 32.500 -0.035 0.000 0.714 156 K HN 0.277 nan 8.250 nan 0.000 0.440 157 A N 1.082 123.863 122.820 -0.066 0.000 2.019 157 A HA -0.108 4.220 4.320 0.014 0.000 0.219 157 A C 1.366 178.868 177.584 -0.137 0.000 1.164 157 A CA 1.387 53.361 52.037 -0.106 0.000 0.644 157 A CB -0.242 18.669 19.000 -0.148 0.000 0.805 157 A HN 0.357 nan 8.150 nan 0.000 0.449 158 N N -0.830 117.779 118.700 -0.152 0.000 2.235 158 N HA 0.180 4.928 4.740 0.014 0.000 0.209 158 N C 0.885 176.379 175.510 -0.026 0.000 1.122 158 N CA 0.766 53.741 53.050 -0.125 0.000 0.845 158 N CB 0.564 38.933 38.487 -0.197 0.000 1.004 158 N HN 0.572 nan 8.380 nan 0.000 0.499 159 G N 1.333 110.136 108.800 0.005 0.000 2.160 159 G HA2 -0.251 3.717 3.960 0.014 0.000 0.251 159 G HA3 -0.251 3.717 3.960 0.014 0.000 0.251 159 G C 0.448 175.392 174.900 0.074 0.000 1.008 159 G CA 0.017 45.138 45.100 0.034 0.000 0.724 159 G HN 0.442 nan 8.290 nan 0.000 0.514 160 I N -0.593 120.053 120.570 0.126 0.000 3.813 160 I HA 0.268 4.446 4.170 0.014 0.000 0.323 160 I C 0.137 176.428 176.117 0.291 0.000 1.536 160 I CA -0.722 60.694 61.300 0.193 0.000 1.083 160 I CB 0.368 38.512 38.000 0.241 0.000 1.265 160 I HN 0.200 nan 8.210 nan 0.000 0.507 161 Y N 2.221 122.582 120.300 0.102 0.000 2.313 161 Y HA 0.670 5.228 4.550 0.013 0.000 0.332 161 Y C 0.498 176.454 175.900 0.092 0.000 1.071 161 Y CA -0.486 57.681 58.100 0.113 0.000 1.169 161 Y CB 0.978 39.489 38.460 0.085 0.000 1.192 161 Y HN 0.173 nan 8.280 nan 0.000 0.487 162 G N 3.418 111.960 108.800 -0.430 0.000 3.233 162 G HA2 0.226 4.194 3.960 0.014 0.000 0.686 162 G HA3 0.226 4.194 3.960 0.014 0.000 0.686 162 G C -0.054 174.731 174.900 -0.192 0.000 1.153 162 G CA -0.343 44.527 45.100 -0.384 0.000 0.853 162 G HN 1.247 nan 8.290 nan 0.000 0.582 163 A N 1.508 124.213 122.820 -0.192 0.000 2.169 163 A HA 0.377 4.705 4.320 0.014 0.000 0.212 163 A C 1.350 178.793 177.584 -0.234 0.000 1.153 163 A CA 1.552 53.478 52.037 -0.184 0.000 0.756 163 A CB -0.215 18.690 19.000 -0.159 0.000 0.813 163 A HN 1.304 nan 8.150 nan 0.000 0.471 164 E N -0.252 119.829 120.200 -0.198 0.000 2.418 164 E HA -0.063 4.295 4.350 0.014 0.000 0.261 164 E C -0.077 176.414 176.600 -0.181 0.000 1.070 164 E CA -0.172 56.108 56.400 -0.199 0.000 0.931 164 E CB 0.156 29.799 29.700 -0.095 0.000 0.954 164 E HN 0.524 nan 8.360 nan 0.000 0.439 165 Y N 1.369 121.666 120.300 -0.005 0.000 2.298 165 Y HA -0.243 4.315 4.550 0.013 0.000 0.287 165 Y C 2.679 178.547 175.900 -0.055 0.000 1.164 165 Y CA 1.866 59.974 58.100 0.015 0.000 1.229 165 Y CB -0.182 38.329 38.460 0.086 0.000 0.977 165 Y HN 0.573 nan 8.280 nan 0.000 0.538 166 K N -0.164 120.188 120.400 -0.081 0.000 2.147 166 K HA -0.130 4.198 4.320 0.014 0.000 0.205 166 K C 1.413 177.883 176.600 -0.216 0.000 1.049 166 K CA 1.509 57.509 56.287 -0.478 0.000 0.936 166 K CB 0.033 32.160 32.500 -0.623 0.000 0.722 166 K HN 0.170 nan 8.250 nan 0.000 0.446 167 V N -0.394 119.457 119.914 -0.104 0.000 2.743 167 V HA 0.107 4.235 4.120 0.014 0.000 0.237 167 V C 0.436 176.517 176.094 -0.022 0.000 1.113 167 V CA 0.191 62.458 62.300 -0.056 0.000 1.141 167 V CB -0.267 31.524 31.823 -0.053 0.000 0.873 167 V HN 0.301 nan 8.190 nan 0.000 0.486 168 R N 0.491 120.963 120.500 -0.046 0.000 3.336 168 R HA -0.162 4.186 4.340 0.014 0.000 0.260 168 R C 0.520 176.773 176.300 -0.078 0.000 1.032 168 R CA 0.329 56.395 56.100 -0.056 0.000 0.693 168 R CB -1.729 28.583 30.300 0.021 0.000 1.134 168 R HN 0.660 nan 8.270 nan 0.000 0.433 169 G N -0.300 108.456 108.800 -0.074 0.000 3.175 169 G HA2 0.622 4.590 3.960 0.014 0.000 0.153 169 G HA3 0.622 4.590 3.960 0.014 0.000 0.153 169 G C -0.716 174.105 174.900 -0.131 0.000 1.216 169 G CA -0.727 44.354 45.100 -0.032 0.000 0.943 169 G HN 0.059 nan 8.290 nan 0.000 0.611 170 F N 1.439 121.357 119.950 -0.055 0.000 2.408 170 F HA 0.454 4.988 4.527 0.012 0.000 0.344 170 F C 1.161 176.916 175.800 -0.074 0.000 1.112 170 F CA -0.804 57.172 58.000 -0.040 0.000 1.096 170 F CB 1.707 40.708 39.000 0.002 0.000 1.129 170 F HN 0.333 nan 8.300 nan 0.000 0.486 171 S N 1.200 116.945 115.700 0.075 0.000 2.592 171 S HA 0.346 4.825 4.470 0.014 0.000 0.271 171 S C 1.334 176.028 174.600 0.158 0.000 1.326 171 S CA -0.355 57.850 58.200 0.009 0.000 1.024 171 S CB 1.360 64.578 63.200 0.029 0.000 0.921 171 S HN 0.872 nan 8.310 nan 0.000 0.527 172 G N 0.853 109.752 108.800 0.165 0.000 2.469 172 G HA2 -0.282 3.686 3.960 0.014 0.000 0.219 172 G HA3 -0.282 3.686 3.960 0.014 0.000 0.219 172 G C 1.103 176.191 174.900 0.314 0.000 1.150 172 G CA 1.162 46.488 45.100 0.378 0.000 0.763 172 G HN 0.866 nan 8.290 nan 0.000 0.561 173 Y N 0.948 121.320 120.300 0.120 0.000 2.165 173 Y HA -0.084 4.474 4.550 0.015 0.000 0.286 173 Y C 2.454 178.382 175.900 0.046 0.000 1.155 173 Y CA 1.401 59.536 58.100 0.058 0.000 1.164 173 Y CB -0.601 37.836 38.460 -0.037 0.000 0.978 173 Y HN 0.140 nan 8.280 nan 0.000 0.513 174 L N -0.140 121.035 121.223 -0.079 0.000 2.079 174 L HA -0.220 4.128 4.340 0.014 0.000 0.210 174 L C 2.389 179.276 176.870 0.029 0.000 1.081 174 L CA 1.891 56.659 54.840 -0.120 0.000 0.752 174 L CB -1.332 40.747 42.059 0.034 0.000 0.896 174 L HN 0.422 nan 8.230 nan 0.000 0.433 175 C N -0.286 119.105 119.300 0.151 0.000 2.425 175 C HA -0.136 4.332 4.460 0.014 0.000 0.277 175 C C 2.570 177.649 174.990 0.148 0.000 1.280 175 C CA 1.020 60.147 59.018 0.182 0.000 1.744 175 C CB -0.926 26.952 27.740 0.230 0.000 1.989 175 C HN 0.596 nan 8.230 nan 0.000 0.491 176 E N 0.408 120.678 120.200 0.117 0.000 2.107 176 E HA -0.085 4.273 4.350 0.014 0.000 0.191 176 E C 2.054 178.714 176.600 0.100 0.000 0.982 176 E CA 0.814 57.288 56.400 0.124 0.000 0.809 176 E CB -0.135 29.668 29.700 0.171 0.000 0.756 176 E HN 0.620 nan 8.360 nan 0.000 0.459 177 L N 0.703 121.902 121.223 -0.040 0.000 2.141 177 L HA -0.172 4.176 4.340 0.014 0.000 0.209 177 L C 2.363 179.285 176.870 0.088 0.000 1.094 177 L CA 0.777 55.593 54.840 -0.041 0.000 0.763 177 L CB -0.293 41.563 42.059 -0.338 0.000 0.908 177 L HN 0.175 nan 8.230 nan 0.000 0.437 178 L N -0.698 120.600 121.223 0.125 0.000 2.056 178 L HA -0.202 4.146 4.340 0.014 0.000 0.207 178 L C 2.494 179.570 176.870 0.344 0.000 1.078 178 L CA 0.828 55.831 54.840 0.272 0.000 0.749 178 L CB -0.331 41.956 42.059 0.378 0.000 0.901 178 L HN 0.216 nan 8.230 nan 0.000 0.433 179 I N -0.658 120.069 120.570 0.262 0.000 2.315 179 I HA -0.191 3.987 4.170 0.014 0.000 0.248 179 I C 2.532 178.767 176.117 0.196 0.000 1.117 179 I CA 1.188 62.628 61.300 0.233 0.000 1.404 179 I CB -0.861 37.245 38.000 0.177 0.000 1.071 179 I HN 0.060 nan 8.210 nan 0.000 0.419 180 V N 0.530 120.559 119.914 0.192 0.000 2.358 180 V HA -0.282 3.846 4.120 0.014 0.000 0.246 180 V C 2.355 178.542 176.094 0.155 0.000 1.047 180 V CA 1.623 64.023 62.300 0.168 0.000 1.035 180 V CB -0.765 31.207 31.823 0.248 0.000 0.658 180 V HN 0.216 nan 8.190 nan 0.000 0.452 181 F N -0.055 119.905 119.950 0.018 0.000 2.051 181 F HA -0.189 4.346 4.527 0.012 0.000 0.296 181 F C 2.162 177.883 175.800 -0.132 0.000 1.122 181 F CA 1.931 59.850 58.000 -0.134 0.000 1.201 181 F CB -0.230 38.556 39.000 -0.357 0.000 0.978 181 F HN 0.153 nan 8.300 nan 0.000 0.472 182 Y N -0.485 119.981 120.300 0.276 0.000 2.510 182 Y HA 0.282 4.840 4.550 0.014 0.000 0.273 182 Y C 2.050 177.990 175.900 0.067 0.000 1.119 182 Y CA 0.411 58.613 58.100 0.171 0.000 1.286 182 Y CB 0.043 38.647 38.460 0.240 0.000 1.061 182 Y HN 0.281 nan 8.280 nan 0.000 0.542 183 G N -0.227 108.692 108.800 0.198 0.000 2.317 183 G HA2 -0.250 3.718 3.960 0.014 0.000 0.227 183 G HA3 -0.250 3.718 3.960 0.014 0.000 0.227 183 G C 0.359 175.325 174.900 0.109 0.000 1.042 183 G CA 0.294 45.460 45.100 0.110 0.000 0.623 183 G HN 0.685 nan 8.290 nan 0.000 0.509 184 S N -1.243 114.539 115.700 0.137 0.000 2.588 184 S HA 0.659 5.137 4.470 0.014 0.000 0.269 184 S C 0.459 175.141 174.600 0.137 0.000 1.157 184 S CA 0.350 58.622 58.200 0.121 0.000 0.824 184 S CB 1.249 64.496 63.200 0.078 0.000 1.126 184 S HN 1.282 nan 8.310 nan 0.000 0.464 185 F N 1.573 121.522 119.950 -0.002 0.000 2.043 185 F HA -0.092 4.445 4.527 0.016 0.000 0.297 185 F C 1.925 177.654 175.800 -0.119 0.000 1.121 185 F CA 2.150 60.115 58.000 -0.059 0.000 1.199 185 F CB -0.299 38.657 39.000 -0.073 0.000 0.968 185 F HN 0.601 nan 8.300 nan 0.000 0.478 186 L N 1.140 122.245 121.223 -0.197 0.000 2.021 186 L HA -0.252 4.096 4.340 0.014 0.000 0.215 186 L C 2.276 178.958 176.870 -0.313 0.000 1.074 186 L CA 2.022 56.687 54.840 -0.293 0.000 0.760 186 L CB -1.116 40.911 42.059 -0.054 0.000 0.889 186 L HN 0.191 nan 8.230 nan 0.000 0.433 187 E N -0.737 119.353 120.200 -0.183 0.000 2.110 187 E HA -0.148 4.211 4.350 0.014 0.000 0.193 187 E C 2.093 178.465 176.600 -0.381 0.000 0.988 187 E CA 1.646 57.938 56.400 -0.181 0.000 0.804 187 E CB -0.535 29.157 29.700 -0.014 0.000 0.745 187 E HN 0.593 nan 8.360 nan 0.000 0.458 188 T N 1.098 115.443 114.554 -0.348 0.000 2.674 188 T HA -0.101 4.257 4.350 0.014 0.000 0.265 188 T C 2.190 176.498 174.700 -0.653 0.000 1.039 188 T CA 1.334 63.152 62.100 -0.470 0.000 1.150 188 T CB -0.421 68.419 68.868 -0.048 0.000 0.864 188 T HN -0.030 nan 8.240 nan 0.000 0.427 189 V N 1.554 121.026 119.914 -0.738 0.000 2.332 189 V HA -0.194 3.934 4.120 0.014 0.000 0.248 189 V C 2.597 178.301 176.094 -0.650 0.000 1.055 189 V CA 1.620 63.409 62.300 -0.850 0.000 1.038 189 V CB -0.520 30.613 31.823 -1.150 0.000 0.651 189 V HN 0.426 nan 8.190 nan 0.000 0.450 190 K N -0.281 119.811 120.400 -0.514 0.000 2.057 190 K HA -0.188 4.140 4.320 0.014 0.000 0.207 190 K C 2.073 178.436 176.600 -0.395 0.000 1.049 190 K CA 1.566 57.627 56.287 -0.376 0.000 0.931 190 K CB -0.158 32.180 32.500 -0.270 0.000 0.714 190 K HN 0.434 nan 8.250 nan 0.000 0.440 191 N N 0.252 118.646 118.700 -0.510 0.000 2.250 191 N HA -0.063 4.685 4.740 0.014 0.000 0.181 191 N C 1.582 176.711 175.510 -0.634 0.000 1.017 191 N CA 0.939 53.705 53.050 -0.473 0.000 0.866 191 N CB -0.009 38.119 38.487 -0.599 0.000 0.985 191 N HN 0.182 nan 8.380 nan 0.000 0.429 192 A N 1.591 123.780 122.820 -1.052 0.000 2.070 192 A HA -0.107 4.221 4.320 0.014 0.000 0.220 192 A C 2.073 179.167 177.584 -0.817 0.000 1.159 192 A CA 0.849 51.879 52.037 -1.677 0.000 0.656 192 A CB -0.386 17.622 19.000 -1.653 0.000 0.800 192 A HN 0.263 nan 8.150 nan 0.000 0.453 193 R N -0.790 119.389 120.500 -0.535 0.000 2.200 193 R HA -0.071 4.277 4.340 0.014 0.000 0.234 193 R C 1.516 177.739 176.300 -0.127 0.000 1.127 193 R CA 1.301 57.228 56.100 -0.288 0.000 0.989 193 R CB -0.168 29.986 30.300 -0.243 0.000 0.869 193 R HN 0.441 nan 8.270 nan 0.000 0.459 194 R N -0.916 119.525 120.500 -0.098 0.000 2.432 194 R HA 0.053 4.401 4.340 0.014 0.000 0.260 194 R C -0.477 175.984 176.300 0.269 0.000 0.935 194 R CA -0.424 55.718 56.100 0.071 0.000 1.080 194 R CB 0.405 30.747 30.300 0.071 0.000 1.155 194 R HN 0.025 nan 8.270 nan 0.000 0.531 195 W N 2.441 123.818 121.300 0.128 0.000 2.193 195 W HA 0.033 4.699 4.660 0.010 0.000 0.338 195 W C 1.183 177.805 176.519 0.172 0.000 1.310 195 W CA -0.351 57.121 57.345 0.212 0.000 1.243 195 W CB 0.180 29.831 29.460 0.317 0.000 1.165 195 W HN -0.035 nan 8.180 nan 0.000 0.566 196 T N -0.335 114.458 114.554 0.399 0.000 2.938 196 T HA 0.450 4.808 4.350 0.014 0.000 0.285 196 T C 1.055 175.916 174.700 0.269 0.000 1.028 196 T CA -0.989 61.268 62.100 0.262 0.000 1.005 196 T CB 1.454 70.433 68.868 0.185 0.000 1.157 196 T HN 0.512 nan 8.240 nan 0.000 0.550 197 R N 0.078 120.687 120.500 0.182 0.000 2.369 197 R HA 0.124 4.472 4.340 0.014 0.000 0.200 197 R C 0.978 177.391 176.300 0.188 0.000 1.046 197 R CA 0.249 56.449 56.100 0.166 0.000 1.057 197 R CB -0.161 30.200 30.300 0.101 0.000 0.888 197 R HN 0.404 nan 8.270 nan 0.000 0.474 198 R N 0.173 120.779 120.500 0.178 0.000 2.509 198 R HA 0.136 4.484 4.340 0.014 0.000 0.297 198 R C -0.242 176.096 176.300 0.064 0.000 0.951 198 R CA 0.034 56.200 56.100 0.110 0.000 1.103 198 R CB 1.008 31.356 30.300 0.080 0.000 1.283 198 R HN 0.070 nan 8.270 nan 0.000 0.534 199 T N 1.903 116.515 114.554 0.096 0.000 2.888 199 T HA 0.156 4.514 4.350 0.014 0.000 0.301 199 T C 0.114 174.620 174.700 -0.323 0.000 1.001 199 T CA 0.396 62.458 62.100 -0.063 0.000 1.147 199 T CB 1.562 70.415 68.868 -0.025 0.000 0.931 199 T HN -0.223 nan 8.240 nan 0.000 0.541 200 V N 5.477 125.224 119.914 -0.277 0.000 2.444 200 V HA 0.424 4.552 4.120 0.014 0.000 0.294 200 V C -0.039 175.843 176.094 -0.353 0.000 1.022 200 V CA -0.733 61.374 62.300 -0.322 0.000 0.850 200 V CB 1.420 33.117 31.823 -0.210 0.000 0.992 200 V HN 0.771 nan 8.190 nan 0.000 0.426 201 I N 4.080 124.353 120.570 -0.495 0.000 2.359 201 I HA 0.357 4.535 4.170 0.014 0.000 0.284 201 I C -0.510 175.343 176.117 -0.440 0.000 1.018 201 I CA -0.196 60.744 61.300 -0.601 0.000 1.173 201 I CB 1.335 38.807 38.000 -0.879 0.000 1.326 201 I HN 0.492 nan 8.210 nan 0.000 0.462 202 D N 6.480 126.731 120.400 -0.248 0.000 2.467 202 D HA 0.190 4.838 4.640 0.014 0.000 0.220 202 D C 0.939 177.295 176.300 0.094 0.000 1.103 202 D CA -0.356 53.592 54.000 -0.088 0.000 0.886 202 D CB 1.593 42.368 40.800 -0.041 0.000 1.025 202 D HN 0.264 nan 8.370 nan 0.000 0.514 203 V N 3.536 123.483 119.914 0.054 0.000 2.407 203 V HA -0.189 3.939 4.120 0.014 0.000 0.248 203 V C 2.546 178.795 176.094 0.258 0.000 1.055 203 V CA 1.815 64.293 62.300 0.297 0.000 1.049 203 V CB -0.881 31.032 31.823 0.149 0.000 0.662 203 V HN 0.591 nan 8.190 nan 0.000 0.455 204 A N -0.019 122.873 122.820 0.119 0.000 1.972 204 A HA -0.197 4.131 4.320 0.014 0.000 0.219 204 A C 2.311 179.980 177.584 0.143 0.000 1.169 204 A CA 1.895 54.031 52.037 0.164 0.000 0.635 204 A CB -0.341 18.693 19.000 0.057 0.000 0.810 204 A HN 0.583 nan 8.150 nan 0.000 0.446 205 K N -1.952 118.513 120.400 0.108 0.000 2.323 205 K HA 0.248 4.576 4.320 0.014 0.000 0.197 205 K C 0.829 177.481 176.600 0.088 0.000 1.043 205 K CA 0.453 56.790 56.287 0.083 0.000 0.997 205 K CB 0.116 32.648 32.500 0.054 0.000 0.807 205 K HN 0.633 nan 8.250 nan 0.000 0.497 206 G N 3.215 112.103 108.800 0.147 0.000 2.326 206 G HA2 -0.267 3.701 3.960 0.014 0.000 0.286 206 G HA3 -0.267 3.701 3.960 0.014 0.000 0.286 206 G C -0.589 174.353 174.900 0.071 0.000 1.096 206 G CA 0.667 45.789 45.100 0.037 0.000 1.003 206 G HN 0.491 nan 8.290 nan 0.000 0.503 207 E N -1.735 118.674 120.200 0.348 0.000 2.366 207 E HA 0.671 5.029 4.350 0.014 0.000 0.278 207 E C -0.808 176.006 176.600 0.356 0.000 0.923 207 E CA -1.311 55.272 56.400 0.305 0.000 0.761 207 E CB 2.128 31.905 29.700 0.129 0.000 1.231 207 E HN 0.386 nan 8.360 nan 0.000 0.443 208 V N 2.562 122.651 119.914 0.292 0.000 2.370 208 V HA 0.546 4.674 4.120 0.014 0.000 0.279 208 V C 0.096 176.235 176.094 0.076 0.000 1.029 208 V CA -0.494 61.885 62.300 0.133 0.000 0.870 208 V CB 0.563 32.533 31.823 0.246 0.000 0.984 208 V HN 0.764 nan 8.190 nan 0.000 0.451 209 R N 3.281 123.780 120.500 -0.002 0.000 2.905 209 R HA 0.717 5.065 4.340 0.014 0.000 0.260 209 R C -0.970 175.316 176.300 -0.023 0.000 1.086 209 R CA -1.167 54.931 56.100 -0.004 0.000 0.978 209 R CB 2.180 32.466 30.300 -0.023 0.000 1.215 209 R HN 0.433 nan 8.270 nan 0.000 0.480 210 K N 0.358 120.753 120.400 -0.009 0.000 2.293 210 K HA 0.389 4.718 4.320 0.014 0.000 0.267 210 K C -0.709 175.875 176.600 -0.028 0.000 1.010 210 K CA -0.391 55.893 56.287 -0.005 0.000 0.875 210 K CB 1.586 34.100 32.500 0.023 0.000 1.106 210 K HN 0.767 nan 8.250 nan 0.000 0.450 211 G N 1.941 110.716 108.800 -0.042 0.000 3.135 211 G HA2 0.118 4.086 3.960 0.014 0.000 0.159 211 G HA3 0.118 4.086 3.960 0.014 0.000 0.159 211 G C 0.031 174.917 174.900 -0.023 0.000 1.244 211 G CA -0.210 44.855 45.100 -0.059 0.000 0.965 211 G HN 0.642 nan 8.290 nan 0.000 0.599 212 E N -0.162 120.023 120.200 -0.025 0.000 2.250 212 E HA 0.102 4.460 4.350 0.014 0.000 0.192 212 E C 0.353 176.982 176.600 0.049 0.000 0.986 212 E CA 0.746 57.152 56.400 0.010 0.000 0.849 212 E CB 0.242 29.944 29.700 0.003 0.000 0.797 212 E HN 0.613 nan 8.360 nan 0.000 0.482 213 E N -1.029 119.215 120.200 0.073 0.000 2.456 213 E HA 0.161 4.520 4.350 0.014 0.000 0.278 213 E C -1.037 175.648 176.600 0.141 0.000 1.034 213 E CA -0.872 55.601 56.400 0.121 0.000 0.846 213 E CB 0.381 30.163 29.700 0.137 0.000 1.460 213 E HN -0.149 nan 8.360 nan 0.000 0.463 214 F N 1.616 121.569 119.950 0.005 0.000 2.519 214 F HA 0.326 4.859 4.527 0.011 0.000 0.375 214 F C -0.977 174.799 175.800 -0.040 0.000 1.084 214 F CA 0.141 58.105 58.000 -0.059 0.000 1.147 214 F CB 0.063 38.996 39.000 -0.112 0.000 1.088 214 F HN 0.395 nan 8.300 nan 0.000 0.555 215 F N 6.732 126.344 119.950 -0.563 0.000 2.902 215 F HA 0.399 4.933 4.527 0.012 0.000 0.368 215 F C -1.388 174.092 175.800 -0.533 0.000 1.202 215 F CA -0.898 56.864 58.000 -0.396 0.000 1.109 215 F CB 0.828 39.681 39.000 -0.244 0.000 1.418 215 F HN 0.015 nan 8.300 nan 0.000 0.527 216 V N 6.708 126.365 119.914 -0.428 0.000 2.339 216 V HA 0.144 4.272 4.120 0.014 0.000 0.261 216 V C 0.148 176.118 176.094 -0.207 0.000 1.058 216 V CA -0.625 61.447 62.300 -0.381 0.000 0.897 216 V CB 0.830 32.403 31.823 -0.416 0.000 1.052 216 V HN 0.516 nan 8.190 nan 0.000 0.480 217 V N 3.059 122.947 119.914 -0.044 0.000 2.521 217 V HA 0.296 4.424 4.120 0.014 0.000 0.286 217 V C 0.414 176.446 176.094 -0.104 0.000 1.034 217 V CA -0.331 62.007 62.300 0.062 0.000 1.045 217 V CB 1.261 33.139 31.823 0.091 0.000 0.974 217 V HN 0.793 nan 8.190 nan 0.000 0.480 218 D N 7.218 127.571 120.400 -0.078 0.000 2.434 218 D HA 0.196 4.845 4.640 0.014 0.000 0.252 218 D C -1.589 174.608 176.300 -0.171 0.000 1.185 218 D CA -1.592 52.340 54.000 -0.113 0.000 0.886 218 D CB 1.945 42.757 40.800 0.020 0.000 1.148 218 D HN 0.494 nan 8.370 nan 0.000 0.483 219 P HA -0.112 nan 4.420 nan 0.000 0.220 219 P C 1.284 178.425 177.300 -0.264 0.000 1.148 219 P CA 0.277 63.113 63.100 -0.440 0.000 0.803 219 P CB 0.421 31.431 31.700 -1.149 0.000 0.782 220 V N -1.097 118.704 119.914 -0.188 0.000 3.608 220 V HA 0.074 4.202 4.120 0.014 0.000 0.269 220 V C -0.020 176.046 176.094 -0.046 0.000 1.245 220 V CA 0.829 63.099 62.300 -0.051 0.000 1.138 220 V CB -0.448 31.418 31.823 0.072 0.000 0.841 220 V HN 0.001 nan 8.190 nan 0.000 0.451 221 D N -0.897 119.485 120.400 -0.030 0.000 2.351 221 D HA 0.156 4.804 4.640 0.014 0.000 0.235 221 D C 0.765 177.070 176.300 0.009 0.000 1.331 221 D CA -0.210 53.781 54.000 -0.015 0.000 0.959 221 D CB 0.842 41.643 40.800 0.003 0.000 1.432 221 D HN 0.205 nan 8.370 nan 0.000 0.544 222 E N 1.365 121.566 120.200 0.001 0.000 2.478 222 E HA -0.072 4.286 4.350 0.014 0.000 0.198 222 E C 1.203 177.848 176.600 0.075 0.000 1.046 222 E CA 0.460 56.872 56.400 0.021 0.000 0.870 222 E CB 0.494 30.183 29.700 -0.019 0.000 0.818 222 E HN 0.381 nan 8.360 nan 0.000 0.527 223 K N 0.945 121.390 120.400 0.074 0.000 2.228 223 K HA -0.038 4.290 4.320 0.014 0.000 0.202 223 K C 1.243 177.972 176.600 0.214 0.000 1.051 223 K CA 0.310 56.668 56.287 0.118 0.000 0.960 223 K CB -0.014 32.521 32.500 0.058 0.000 0.743 223 K HN -0.073 nan 8.250 nan 0.000 0.458 224 R N 2.334 122.912 120.500 0.130 0.000 2.254 224 R HA 0.068 4.416 4.340 0.014 0.000 0.318 224 R C -0.651 175.573 176.300 -0.127 0.000 1.031 224 R CA -0.248 55.865 56.100 0.021 0.000 0.905 224 R CB 0.402 30.713 30.300 0.019 0.000 1.050 224 R HN -0.171 nan 8.270 nan 0.000 0.456 225 N N 4.131 122.531 118.700 -0.500 0.000 2.462 225 N HA 0.077 4.825 4.740 0.014 0.000 0.242 225 N C 0.283 175.526 175.510 -0.444 0.000 1.010 225 N CA -0.398 52.097 53.050 -0.925 0.000 0.939 225 N CB 1.198 38.674 38.487 -1.685 0.000 1.127 225 N HN 0.484 nan 8.380 nan 0.000 0.509 226 V N 2.785 122.513 119.914 -0.309 0.000 2.469 226 V HA -0.170 3.958 4.120 0.014 0.000 0.251 226 V C 1.727 177.706 176.094 -0.192 0.000 1.064 226 V CA 2.105 64.297 62.300 -0.179 0.000 1.066 226 V CB -0.903 30.807 31.823 -0.188 0.000 0.667 226 V HN 0.784 nan 8.190 nan 0.000 0.461 227 A N -0.534 122.136 122.820 -0.250 0.000 2.476 227 A HA 0.588 4.916 4.320 0.014 0.000 0.263 227 A C 2.058 179.520 177.584 -0.204 0.000 1.342 227 A CA 0.684 52.601 52.037 -0.200 0.000 0.926 227 A CB -0.389 18.572 19.000 -0.066 0.000 1.019 227 A HN 0.446 nan 8.150 nan 0.000 0.515 228 A N 0.843 123.519 122.820 -0.239 0.000 1.908 228 A HA -0.214 4.114 4.320 0.014 0.000 0.218 228 A C 1.800 179.304 177.584 -0.134 0.000 1.181 228 A CA 2.009 53.923 52.037 -0.203 0.000 0.627 228 A CB -0.372 18.516 19.000 -0.186 0.000 0.818 228 A HN 0.523 nan 8.150 nan 0.000 0.445 229 N N -1.028 117.581 118.700 -0.152 0.000 2.270 229 N HA 0.094 4.842 4.740 0.014 0.000 0.198 229 N C -0.111 175.310 175.510 -0.149 0.000 1.117 229 N CA -0.280 52.685 53.050 -0.142 0.000 0.845 229 N CB -0.316 38.030 38.487 -0.234 0.000 0.980 229 N HN 0.322 nan 8.380 nan 0.000 0.486 230 L N 1.857 122.960 121.223 -0.198 0.000 2.433 230 L HA 0.210 4.558 4.340 0.014 0.000 0.275 230 L C 0.277 177.048 176.870 -0.166 0.000 1.128 230 L CA -0.337 54.343 54.840 -0.267 0.000 0.875 230 L CB -0.092 41.682 42.059 -0.475 0.000 1.171 230 L HN 0.167 nan 8.230 nan 0.000 0.463 231 S N 4.441 120.075 115.700 -0.109 0.000 2.564 231 S HA 0.083 4.561 4.470 0.014 0.000 0.278 231 S C 1.252 175.811 174.600 -0.068 0.000 1.333 231 S CA -0.297 57.874 58.200 -0.048 0.000 1.048 231 S CB 0.668 63.866 63.200 -0.003 0.000 0.900 231 S HN 0.799 nan 8.310 nan 0.000 0.505 232 L N 1.895 123.094 121.223 -0.040 0.000 2.021 232 L HA -0.170 4.178 4.340 0.014 0.000 0.215 232 L C 1.720 178.580 176.870 -0.016 0.000 1.074 232 L CA 2.246 57.066 54.840 -0.033 0.000 0.760 232 L CB -0.974 41.084 42.059 -0.001 0.000 0.889 232 L HN 0.784 nan 8.230 nan 0.000 0.433 233 D N -0.726 119.674 120.400 -0.000 0.000 2.178 233 D HA -0.151 4.497 4.640 0.014 0.000 0.201 233 D C 1.973 178.297 176.300 0.041 0.000 0.980 233 D CA 1.491 55.501 54.000 0.016 0.000 0.842 233 D CB -0.270 40.535 40.800 0.010 0.000 0.948 233 D HN 0.596 nan 8.370 nan 0.000 0.472 234 N N -0.268 118.453 118.700 0.034 0.000 2.300 234 N HA -0.053 4.695 4.740 0.014 0.000 0.179 234 N C 1.755 177.358 175.510 0.155 0.000 1.016 234 N CA -0.005 53.098 53.050 0.088 0.000 0.876 234 N CB 0.168 38.689 38.487 0.058 0.000 0.979 234 N HN 0.012 nan 8.380 nan 0.000 0.432 235 L N 1.557 122.797 121.223 0.028 0.000 1.989 235 L HA -0.116 4.232 4.340 0.014 0.000 0.211 235 L C 2.204 179.187 176.870 0.189 0.000 1.071 235 L CA 1.640 56.509 54.840 0.048 0.000 0.749 235 L CB -0.732 41.168 42.059 -0.265 0.000 0.890 235 L HN 0.067 nan 8.230 nan 0.000 0.431 236 A N -0.333 122.552 122.820 0.108 0.000 1.917 236 A HA -0.271 4.057 4.320 0.014 0.000 0.219 236 A C 2.431 180.113 177.584 0.163 0.000 1.182 236 A CA 2.194 54.301 52.037 0.117 0.000 0.633 236 A CB -0.648 18.389 19.000 0.061 0.000 0.819 236 A HN 0.583 nan 8.150 nan 0.000 0.448 237 R N -2.359 118.249 120.500 0.180 0.000 2.090 237 R HA -0.026 4.322 4.340 0.014 0.000 0.228 237 R C 2.014 178.474 176.300 0.267 0.000 1.110 237 R CA 1.342 57.563 56.100 0.202 0.000 0.973 237 R CB -0.419 29.977 30.300 0.159 0.000 0.869 237 R HN 0.599 nan 8.270 nan 0.000 0.440 238 F N 1.206 121.265 119.950 0.181 0.000 2.102 238 F HA -0.185 4.351 4.527 0.015 0.000 0.298 238 F C 2.029 177.902 175.800 0.122 0.000 1.105 238 F CA 1.214 59.324 58.000 0.183 0.000 1.239 238 F CB -0.394 38.789 39.000 0.305 0.000 0.991 238 F HN -0.297 nan 8.300 nan 0.000 0.474 239 V N 0.535 120.511 119.914 0.103 0.000 2.287 239 V HA -0.372 3.756 4.120 0.014 0.000 0.248 239 V C 2.617 178.669 176.094 -0.070 0.000 1.053 239 V CA 2.465 64.731 62.300 -0.057 0.000 1.027 239 V CB -1.061 30.839 31.823 0.128 0.000 0.646 239 V HN 0.543 nan 8.190 nan 0.000 0.447 240 H N -0.855 118.192 119.070 -0.038 0.000 2.353 240 H HA -0.118 4.445 4.556 0.011 0.000 0.300 240 H C 2.398 177.711 175.328 -0.025 0.000 1.090 240 H CA 1.588 57.623 56.048 -0.021 0.000 1.327 240 H CB 0.076 29.850 29.762 0.020 0.000 1.383 240 H HN 0.243 nan 8.280 nan 0.000 0.508 241 L N 0.881 122.065 121.223 -0.064 0.000 2.042 241 L HA -0.213 4.135 4.340 0.014 0.000 0.210 241 L C 2.814 179.630 176.870 -0.090 0.000 1.076 241 L CA 1.383 56.201 54.840 -0.038 0.000 0.749 241 L CB -1.355 40.725 42.059 0.035 0.000 0.893 241 L HN 0.467 nan 8.230 nan 0.000 0.432 242 C N -0.552 118.561 119.300 -0.313 0.000 2.413 242 C HA -0.169 4.299 4.460 0.014 0.000 0.276 242 C C 2.805 177.627 174.990 -0.280 0.000 1.248 242 C CA 0.578 59.342 59.018 -0.423 0.000 1.742 242 C CB -0.918 26.384 27.740 -0.731 0.000 2.017 242 C HN 0.477 nan 8.230 nan 0.000 0.481 243 R N 0.586 120.936 120.500 -0.250 0.000 2.092 243 R HA -0.107 4.241 4.340 0.014 0.000 0.231 243 R C 2.125 178.316 176.300 -0.182 0.000 1.119 243 R CA 1.230 57.213 56.100 -0.195 0.000 0.970 243 R CB -0.285 29.929 30.300 -0.143 0.000 0.864 243 R HN 0.657 nan 8.270 nan 0.000 0.440 244 E N -0.152 119.924 120.200 -0.205 0.000 2.072 244 E HA -0.189 4.169 4.350 0.014 0.000 0.191 244 E C 1.644 178.192 176.600 -0.086 0.000 0.985 244 E CA 1.008 57.348 56.400 -0.100 0.000 0.801 244 E CB -0.098 29.592 29.700 -0.017 0.000 0.750 244 E HN 0.208 nan 8.360 nan 0.000 0.452 245 F N 1.048 120.745 119.950 -0.422 0.000 2.146 245 F HA -0.169 4.365 4.527 0.012 0.000 0.298 245 F C 2.156 177.712 175.800 -0.405 0.000 1.096 245 F CA 1.201 58.753 58.000 -0.747 0.000 1.275 245 F CB 0.065 38.580 39.000 -0.808 0.000 1.008 245 F HN -0.050 nan 8.300 nan 0.000 0.480 246 M N -0.237 119.204 119.600 -0.265 0.000 2.319 246 M HA -0.146 4.342 4.480 0.014 0.000 0.265 246 M C 2.125 178.280 176.300 -0.242 0.000 1.068 246 M CA 1.264 56.402 55.300 -0.270 0.000 1.118 246 M CB -1.169 31.313 32.600 -0.196 0.000 1.395 246 M HN 0.311 nan 8.290 nan 0.000 0.435 247 E N 0.284 120.367 120.200 -0.195 0.000 2.107 247 E HA 0.023 4.381 4.350 0.014 0.000 0.191 247 E C -0.110 176.404 176.600 -0.142 0.000 0.982 247 E CA 0.754 57.072 56.400 -0.137 0.000 0.809 247 E CB 0.371 30.016 29.700 -0.092 0.000 0.756 247 E HN 0.343 nan 8.360 nan 0.000 0.459 248 A N 1.808 124.517 122.820 -0.184 0.000 2.741 248 A HA 0.310 4.638 4.320 0.014 0.000 0.298 248 A C -2.753 174.670 177.584 -0.268 0.000 1.153 248 A CA -1.203 50.740 52.037 -0.157 0.000 0.816 248 A CB 0.773 19.754 19.000 -0.032 0.000 1.396 248 A HN -0.013 nan 8.150 nan 0.000 0.407 249 P HA 0.351 nan 4.420 nan 0.000 0.271 249 P C -0.098 177.080 177.300 -0.205 0.000 1.216 249 P CA 0.359 62.907 63.100 -0.919 0.000 0.776 249 P CB 1.623 32.751 31.700 -0.953 0.000 0.881 250 S N 2.005 117.822 115.700 0.195 0.000 2.556 250 S HA 0.263 4.742 4.470 0.014 0.000 0.271 250 S C 0.430 175.463 174.600 0.721 0.000 1.135 250 S CA -0.672 57.815 58.200 0.478 0.000 0.858 250 S CB 1.033 64.534 63.200 0.502 0.000 1.114 250 S HN 0.204 nan 8.310 nan 0.000 0.468 251 L N 4.367 125.875 121.223 0.474 0.000 2.376 251 L HA 0.305 4.653 4.340 0.014 0.000 0.219 251 L C 2.166 179.301 176.870 0.441 0.000 1.133 251 L CA 2.332 57.460 54.840 0.481 0.000 0.816 251 L CB -0.928 41.275 42.059 0.239 0.000 0.933 251 L HN 0.938 nan 8.230 nan 0.000 0.449 252 G N -1.306 107.674 108.800 0.299 0.000 2.470 252 G HA2 -0.285 3.684 3.960 0.014 0.000 0.220 252 G HA3 -0.285 3.684 3.960 0.014 0.000 0.220 252 G C 1.273 176.150 174.900 -0.037 0.000 1.121 252 G CA 0.544 45.691 45.100 0.078 0.000 0.766 252 G HN 0.428 nan 8.290 nan 0.000 0.553 253 F N -0.556 119.423 119.950 0.049 0.000 2.604 253 F HA 0.229 4.764 4.527 0.013 0.000 0.298 253 F C 1.562 177.035 175.800 -0.545 0.000 1.131 253 F CA 0.433 58.270 58.000 -0.271 0.000 1.457 253 F CB -0.022 38.838 39.000 -0.233 0.000 1.095 253 F HN 0.112 nan 8.300 nan 0.000 0.574 254 F N -0.732 119.282 119.950 0.107 0.000 2.704 254 F HA 0.210 4.745 4.527 0.014 0.000 0.304 254 F C 0.633 176.412 175.800 -0.034 0.000 1.094 254 F CA -0.282 57.730 58.000 0.020 0.000 1.275 254 F CB 0.023 39.048 39.000 0.041 0.000 1.073 254 F HN -0.424 nan 8.300 nan 0.000 0.586 255 K N 1.260 121.713 120.400 0.088 0.000 2.156 255 K HA 0.340 4.668 4.320 0.014 0.000 0.271 255 K C -2.620 173.926 176.600 -0.090 0.000 0.995 255 K CA -1.987 54.295 56.287 -0.007 0.000 0.890 255 K CB 0.518 32.999 32.500 -0.032 0.000 1.073 255 K HN -0.260 nan 8.250 nan 0.000 0.454 256 P HA -0.003 nan 4.420 nan 0.000 0.267 256 P C -0.936 176.258 177.300 -0.178 0.000 1.209 256 P CA -0.189 62.844 63.100 -0.111 0.000 0.763 256 P CB 0.435 32.092 31.700 -0.072 0.000 0.816 257 K N 3.128 123.437 120.400 -0.151 0.000 2.489 257 K HA 0.007 4.335 4.320 0.014 0.000 0.278 257 K C 0.305 176.834 176.600 -0.118 0.000 1.000 257 K CA 0.231 56.432 56.287 -0.144 0.000 1.012 257 K CB -0.222 32.228 32.500 -0.084 0.000 0.903 257 K HN 0.587 nan 8.250 nan 0.000 0.485 258 H N 2.382 121.433 119.070 -0.033 0.000 3.073 258 H HA -0.071 4.493 4.556 0.013 0.000 0.340 258 H C -1.187 174.129 175.328 -0.021 0.000 1.054 258 H CA -0.494 55.541 56.048 -0.022 0.000 1.372 258 H CB -0.006 29.743 29.762 -0.022 0.000 1.314 258 H HN 0.443 nan 8.280 nan 0.000 0.603 259 P HA -0.075 nan 4.420 nan 0.000 0.218 259 P C -0.330 176.996 177.300 0.043 0.000 1.149 259 P CA 0.573 63.706 63.100 0.055 0.000 0.817 259 P CB 0.283 32.011 31.700 0.047 0.000 0.785 260 L N -0.430 120.826 121.223 0.054 0.000 3.592 260 L HA -0.211 4.137 4.340 0.014 0.000 0.633 260 L C -0.064 176.802 176.870 -0.006 0.000 1.071 260 L CA 0.436 55.283 54.840 0.011 0.000 1.090 260 L CB -1.820 40.242 42.059 0.006 0.000 1.328 260 L HN 0.079 nan 8.230 nan 0.000 0.786 261 E N 2.220 122.414 120.200 -0.010 0.000 2.324 261 E HA 0.459 4.817 4.350 0.014 0.000 0.271 261 E C 0.195 176.780 176.600 -0.026 0.000 1.028 261 E CA 0.034 56.426 56.400 -0.014 0.000 0.890 261 E CB 0.988 30.683 29.700 -0.008 0.000 1.004 261 E HN 0.401 nan 8.360 nan 0.000 0.431 262 I N 3.415 123.966 120.570 -0.033 0.000 2.389 262 I HA 0.156 4.334 4.170 0.014 0.000 0.288 262 I C -0.107 175.979 176.117 -0.052 0.000 0.999 262 I CA -0.777 60.493 61.300 -0.050 0.000 1.129 262 I CB 0.643 38.602 38.000 -0.067 0.000 1.288 262 I HN 0.504 nan 8.210 nan 0.000 0.444 263 E N 8.770 128.939 120.200 -0.051 0.000 2.383 263 E HA 0.201 4.559 4.350 0.014 0.000 0.264 263 E C -2.247 174.310 176.600 -0.072 0.000 1.050 263 E CA -1.461 54.914 56.400 -0.041 0.000 0.896 263 E CB 0.617 30.300 29.700 -0.028 0.000 0.982 263 E HN 0.403 nan 8.360 nan 0.000 0.424 264 P HA -0.255 nan 4.420 nan 0.000 0.220 264 P C 1.194 178.410 177.300 -0.140 0.000 1.155 264 P CA 2.075 65.160 63.100 -0.025 0.000 0.880 264 P CB 0.198 31.961 31.700 0.106 0.000 0.790 265 E N -1.130 119.025 120.200 -0.076 0.000 2.107 265 E HA -0.164 4.194 4.350 0.014 0.000 0.191 265 E C 2.319 178.843 176.600 -0.126 0.000 0.982 265 E CA 0.532 56.888 56.400 -0.073 0.000 0.809 265 E CB -0.143 29.542 29.700 -0.026 0.000 0.756 265 E HN 0.015 nan 8.360 nan 0.000 0.459 266 R N 0.105 120.526 120.500 -0.132 0.000 2.075 266 R HA -0.133 4.215 4.340 0.014 0.000 0.232 266 R C 2.333 178.513 176.300 -0.201 0.000 1.126 266 R CA 0.916 56.938 56.100 -0.130 0.000 0.963 266 R CB -0.228 30.013 30.300 -0.097 0.000 0.858 266 R HN 0.182 nan 8.270 nan 0.000 0.435 267 L N 1.491 122.528 121.223 -0.310 0.000 2.012 267 L HA -0.179 4.169 4.340 0.014 0.000 0.210 267 L C 2.457 178.940 176.870 -0.645 0.000 1.073 267 L CA 1.921 56.472 54.840 -0.481 0.000 0.748 267 L CB -0.711 40.960 42.059 -0.647 0.000 0.891 267 L HN 0.148 nan 8.230 nan 0.000 0.431 268 R N -0.409 119.633 120.500 -0.763 0.000 2.083 268 R HA -0.241 4.107 4.340 0.014 0.000 0.237 268 R C 2.471 178.697 176.300 -0.123 0.000 1.137 268 R CA 2.084 57.947 56.100 -0.396 0.000 0.951 268 R CB -0.300 29.950 30.300 -0.085 0.000 0.851 268 R HN 0.361 nan 8.270 nan 0.000 0.434 269 K N 0.200 120.529 120.400 -0.118 0.000 2.032 269 K HA -0.164 4.164 4.320 0.014 0.000 0.209 269 K C 2.021 178.592 176.600 -0.048 0.000 1.048 269 K CA 1.968 58.221 56.287 -0.057 0.000 0.927 269 K CB -0.146 32.319 32.500 -0.058 0.000 0.712 269 K HN 0.234 nan 8.250 nan 0.000 0.441 270 I N 0.412 120.934 120.570 -0.081 0.000 2.226 270 I HA -0.269 3.909 4.170 0.014 0.000 0.245 270 I C 2.196 178.301 176.117 -0.019 0.000 1.100 270 I CA 0.854 62.122 61.300 -0.054 0.000 1.374 270 I CB -0.145 37.810 38.000 -0.075 0.000 1.057 270 I HN -0.001 nan 8.210 nan 0.000 0.413 271 V N 0.673 120.579 119.914 -0.015 0.000 2.343 271 V HA -0.315 3.813 4.120 0.014 0.000 0.247 271 V C 2.500 178.637 176.094 0.071 0.000 1.051 271 V CA 2.154 64.492 62.300 0.063 0.000 1.036 271 V CB -0.647 31.276 31.823 0.166 0.000 0.654 271 V HN 0.498 nan 8.190 nan 0.000 0.451 272 E N -0.017 120.218 120.200 0.059 0.000 2.077 272 E HA -0.269 4.089 4.350 0.014 0.000 0.193 272 E C 2.185 178.808 176.600 0.038 0.000 0.989 272 E CA 1.611 58.044 56.400 0.055 0.000 0.800 272 E CB -0.035 29.693 29.700 0.048 0.000 0.746 272 E HN 0.714 nan 8.360 nan 0.000 0.452 273 E N -0.036 120.178 120.200 0.023 0.000 2.072 273 E HA -0.159 4.199 4.350 0.014 0.000 0.191 273 E C 2.249 178.864 176.600 0.024 0.000 0.985 273 E CA 0.859 57.269 56.400 0.018 0.000 0.801 273 E CB 0.028 29.731 29.700 0.005 0.000 0.750 273 E HN 0.175 nan 8.360 nan 0.000 0.452 274 R N -0.598 119.920 120.500 0.029 0.000 2.115 274 R HA -0.050 4.298 4.340 0.014 0.000 0.230 274 R C 1.518 177.846 176.300 0.047 0.000 1.111 274 R CA 0.793 56.916 56.100 0.037 0.000 0.976 274 R CB -0.115 30.210 30.300 0.042 0.000 0.870 274 R HN 0.302 nan 8.270 nan 0.000 0.445 275 G N 1.035 109.867 108.800 0.054 0.000 2.153 275 G HA2 -0.305 3.663 3.960 0.014 0.000 0.252 275 G HA3 -0.305 3.663 3.960 0.014 0.000 0.252 275 G C 0.248 175.193 174.900 0.074 0.000 0.994 275 G CA 0.620 45.755 45.100 0.060 0.000 0.698 275 G HN 0.482 nan 8.290 nan 0.000 0.521 276 T N -1.909 112.696 114.554 0.086 0.000 2.902 276 T HA 0.776 5.134 4.350 0.014 0.000 0.280 276 T C 0.402 175.180 174.700 0.130 0.000 0.992 276 T CA 0.156 62.318 62.100 0.103 0.000 1.015 276 T CB 2.229 71.157 68.868 0.101 0.000 1.044 276 T HN 1.641 nan 8.240 nan 0.000 0.520 277 A N 1.464 124.377 122.820 0.156 0.000 2.302 277 A HA 0.610 4.938 4.320 0.014 0.000 0.295 277 A C -0.314 177.435 177.584 0.274 0.000 1.235 277 A CA -0.690 51.475 52.037 0.213 0.000 0.876 277 A CB -0.091 19.041 19.000 0.220 0.000 1.133 277 A HN 0.769 nan 8.150 nan 0.000 0.533 278 V N 4.356 124.429 119.914 0.265 0.000 2.444 278 V HA 0.706 4.834 4.120 0.014 0.000 0.294 278 V C -0.618 175.632 176.094 0.260 0.000 1.022 278 V CA -0.239 62.175 62.300 0.191 0.000 0.850 278 V CB 0.402 32.333 31.823 0.180 0.000 0.992 278 V HN 0.875 nan 8.190 nan 0.000 0.426 279 F N 2.607 122.616 119.950 0.099 0.000 2.711 279 F HA 0.997 5.532 4.527 0.014 0.000 0.313 279 F C -0.463 175.437 175.800 0.165 0.000 1.141 279 F CA -1.173 56.877 58.000 0.083 0.000 0.941 279 F CB 1.572 40.609 39.000 0.062 0.000 1.349 279 F HN 0.578 nan 8.300 nan 0.000 0.464 280 A N 0.880 123.901 122.820 0.335 0.000 2.454 280 A HA 0.785 5.113 4.320 0.014 0.000 0.302 280 A C -1.703 176.128 177.584 0.412 0.000 1.079 280 A CA -0.971 51.243 52.037 0.295 0.000 0.731 280 A CB 1.738 20.875 19.000 0.230 0.000 1.299 280 A HN 0.857 nan 8.150 nan 0.000 0.413 281 V N 2.295 122.463 119.914 0.423 0.000 2.364 281 V HA 0.371 4.499 4.120 0.014 0.000 0.272 281 V C 0.279 176.576 176.094 0.339 0.000 1.036 281 V CA -0.351 62.184 62.300 0.392 0.000 0.880 281 V CB 0.911 32.949 31.823 0.360 0.000 0.991 281 V HN 0.852 nan 8.190 nan 0.000 0.460 282 K N 6.036 126.573 120.400 0.228 0.000 2.206 282 K HA 0.733 5.061 4.320 0.014 0.000 0.264 282 K C -1.205 175.445 176.600 0.083 0.000 0.967 282 K CA -0.447 55.805 56.287 -0.058 0.000 0.844 282 K CB 1.343 33.755 32.500 -0.146 0.000 1.099 282 K HN 0.594 nan 8.250 nan 0.000 0.441 283 F N -0.478 119.451 119.950 -0.034 0.000 2.711 283 F HA 0.507 5.042 4.527 0.013 0.000 0.313 283 F C -0.827 175.179 175.800 0.345 0.000 1.141 283 F CA -1.517 56.570 58.000 0.145 0.000 0.941 283 F CB 0.732 39.766 39.000 0.057 0.000 1.349 283 F HN 0.282 nan 8.300 nan 0.000 0.464 284 R N 1.550 122.368 120.500 0.529 0.000 2.537 284 R HA 0.169 4.517 4.340 0.014 0.000 0.280 284 R C -0.212 176.129 176.300 0.068 0.000 1.058 284 R CA -0.673 55.520 56.100 0.156 0.000 1.057 284 R CB 0.596 30.957 30.300 0.102 0.000 0.973 284 R HN 0.519 nan 8.270 nan 0.000 0.438 285 K N 4.377 124.700 120.400 -0.128 0.000 2.383 285 K HA 0.118 4.446 4.320 0.014 0.000 0.286 285 K C -2.172 174.414 176.600 -0.022 0.000 1.051 285 K CA -1.600 54.628 56.287 -0.099 0.000 0.974 285 K CB 0.649 33.059 32.500 -0.149 0.000 0.968 285 K HN 0.276 nan 8.250 nan 0.000 0.475 286 P HA -0.038 nan 4.420 nan 0.000 0.264 286 P C -0.626 176.666 177.300 -0.013 0.000 1.193 286 P CA -0.017 63.098 63.100 0.025 0.000 0.763 286 P CB 0.375 32.101 31.700 0.043 0.000 0.810 287 D N 4.003 124.390 120.400 -0.020 0.000 2.662 287 D HA 0.072 4.720 4.640 0.014 0.000 0.228 287 D C -0.016 176.270 176.300 -0.024 0.000 1.093 287 D CA 0.070 54.052 54.000 -0.029 0.000 1.075 287 D CB -1.006 39.773 40.800 -0.035 0.000 1.122 287 D HN 0.267 nan 8.370 nan 0.000 0.475 288 I N -1.686 118.874 120.570 -0.017 0.000 2.892 288 I HA 0.519 4.697 4.170 0.014 0.000 0.306 288 I C 0.365 176.487 176.117 0.009 0.000 1.078 288 I CA -1.426 59.868 61.300 -0.010 0.000 1.032 288 I CB 1.685 39.683 38.000 -0.005 0.000 1.229 288 I HN -0.168 nan 8.210 nan 0.000 0.435 289 V N 0.258 120.187 119.914 0.024 0.000 3.178 289 V HA 0.062 4.190 4.120 0.014 0.000 0.306 289 V C 0.789 176.951 176.094 0.112 0.000 1.107 289 V CA 0.275 62.616 62.300 0.067 0.000 1.195 289 V CB 0.238 32.109 31.823 0.081 0.000 0.993 289 V HN 0.875 nan 8.190 nan 0.000 0.493 290 D N 1.159 121.667 120.400 0.181 0.000 2.149 290 D HA -0.149 4.500 4.640 0.014 0.000 0.198 290 D C 1.651 178.175 176.300 0.374 0.000 0.990 290 D CA 2.091 56.294 54.000 0.337 0.000 0.839 290 D CB -0.156 40.876 40.800 0.387 0.000 0.948 290 D HN 0.833 nan 8.370 nan 0.000 0.460 291 D N -0.082 120.486 120.400 0.280 0.000 2.348 291 D HA -0.050 4.598 4.640 0.014 0.000 0.216 291 D C 1.220 177.671 176.300 0.251 0.000 0.970 291 D CA 0.397 54.595 54.000 0.330 0.000 0.889 291 D CB 0.101 41.072 40.800 0.286 0.000 0.912 291 D HN 0.171 nan 8.370 nan 0.000 0.524 292 N N 0.486 119.279 118.700 0.154 0.000 2.436 292 N HA -0.024 4.724 4.740 0.014 0.000 0.178 292 N C 1.782 177.302 175.510 0.017 0.000 1.026 292 N CA 0.016 53.108 53.050 0.069 0.000 0.880 292 N CB -0.170 38.348 38.487 0.051 0.000 1.061 292 N HN 0.107 nan 8.380 nan 0.000 0.434 293 L N 0.368 121.600 121.223 0.015 0.000 2.005 293 L HA -0.042 4.306 4.340 0.014 0.000 0.207 293 L C 1.749 178.505 176.870 -0.191 0.000 1.072 293 L CA 1.672 56.445 54.840 -0.111 0.000 0.744 293 L CB -0.992 40.944 42.059 -0.204 0.000 0.895 293 L HN 0.098 nan 8.230 nan 0.000 0.433 294 Y N 0.017 120.294 120.300 -0.038 0.000 2.128 294 Y HA -0.152 4.406 4.550 0.014 0.000 0.284 294 Y C -0.275 175.499 175.900 -0.210 0.000 1.154 294 Y CA 2.041 60.083 58.100 -0.097 0.000 1.149 294 Y CB -1.975 36.540 38.460 0.092 0.000 0.976 294 Y HN 0.294 nan 8.280 nan 0.000 0.505 295 P HA -0.169 nan 4.420 nan 0.000 0.219 295 P C 0.985 178.180 177.300 -0.176 0.000 1.146 295 P CA 1.746 64.714 63.100 -0.221 0.000 0.808 295 P CB -0.027 31.425 31.700 -0.412 0.000 0.779 296 Q N -0.964 118.741 119.800 -0.158 0.000 2.123 296 Q HA -0.042 4.306 4.340 0.014 0.000 0.199 296 Q C 2.130 178.030 176.000 -0.167 0.000 0.966 296 Q CA 0.991 56.717 55.803 -0.128 0.000 0.845 296 Q CB -0.563 28.122 28.738 -0.088 0.000 0.907 296 Q HN 0.287 nan 8.270 nan 0.000 0.439 297 L N 0.601 121.642 121.223 -0.303 0.000 2.046 297 L HA -0.208 4.140 4.340 0.014 0.000 0.208 297 L C 2.170 178.745 176.870 -0.492 0.000 1.077 297 L CA 1.257 55.812 54.840 -0.473 0.000 0.747 297 L CB -0.413 41.077 42.059 -0.950 0.000 0.896 297 L HN 0.240 nan 8.230 nan 0.000 0.432 298 E N -0.074 119.832 120.200 -0.490 0.000 2.070 298 E HA -0.300 4.058 4.350 0.014 0.000 0.197 298 E C 2.275 178.865 176.600 -0.017 0.000 1.004 298 E CA 1.632 57.963 56.400 -0.116 0.000 0.805 298 E CB -0.145 29.547 29.700 -0.014 0.000 0.744 298 E HN 0.331 nan 8.360 nan 0.000 0.451 299 R N 0.728 121.199 120.500 -0.049 0.000 2.070 299 R HA -0.135 4.213 4.340 0.014 0.000 0.233 299 R C 2.318 178.639 176.300 0.036 0.000 1.137 299 R CA 1.443 57.541 56.100 -0.004 0.000 0.945 299 R CB -0.337 29.946 30.300 -0.027 0.000 0.845 299 R HN 0.150 nan 8.270 nan 0.000 0.430 300 A N 0.723 123.552 122.820 0.015 0.000 1.892 300 A HA -0.199 4.129 4.320 0.014 0.000 0.218 300 A C 2.283 179.977 177.584 0.184 0.000 1.188 300 A CA 2.187 54.260 52.037 0.060 0.000 0.631 300 A CB -0.880 18.131 19.000 0.017 0.000 0.822 300 A HN 0.523 nan 8.150 nan 0.000 0.447 301 S N -0.925 114.903 115.700 0.213 0.000 2.359 301 S HA -0.225 4.253 4.470 0.014 0.000 0.223 301 S C 2.116 176.956 174.600 0.399 0.000 1.039 301 S CA 1.572 59.995 58.200 0.372 0.000 1.042 301 S CB -0.390 62.978 63.200 0.280 0.000 0.915 301 S HN 0.643 nan 8.310 nan 0.000 0.439 302 R N 1.072 121.711 120.500 0.232 0.000 2.073 302 R HA -0.078 4.270 4.340 0.014 0.000 0.234 302 R C 1.994 178.420 176.300 0.211 0.000 1.134 302 R CA 1.147 57.363 56.100 0.193 0.000 0.952 302 R CB -0.079 30.281 30.300 0.101 0.000 0.850 302 R HN 0.132 nan 8.270 nan 0.000 0.433 303 K N 0.593 121.091 120.400 0.163 0.000 2.057 303 K HA -0.120 4.208 4.320 0.014 0.000 0.207 303 K C 2.066 178.682 176.600 0.027 0.000 1.049 303 K CA 1.292 57.657 56.287 0.129 0.000 0.931 303 K CB -0.317 32.285 32.500 0.170 0.000 0.714 303 K HN 0.323 nan 8.250 nan 0.000 0.440 304 I N -0.245 120.371 120.570 0.077 0.000 2.353 304 I HA -0.213 3.965 4.170 0.014 0.000 0.248 304 I C 2.228 178.274 176.117 -0.117 0.000 1.119 304 I CA 0.674 61.891 61.300 -0.139 0.000 1.417 304 I CB -0.235 37.687 38.000 -0.130 0.000 1.078 304 I HN -0.054 nan 8.210 nan 0.000 0.421 305 F N 1.961 121.902 119.950 -0.015 0.000 2.126 305 F HA -0.247 4.288 4.527 0.013 0.000 0.299 305 F C 2.413 178.199 175.800 -0.024 0.000 1.096 305 F CA 1.841 59.864 58.000 0.038 0.000 1.255 305 F CB -0.081 39.030 39.000 0.185 0.000 0.997 305 F HN 0.033 nan 8.300 nan 0.000 0.479 306 E N -0.611 119.703 120.200 0.192 0.000 2.106 306 E HA -0.221 4.138 4.350 0.014 0.000 0.192 306 E C 2.019 178.556 176.600 -0.106 0.000 0.984 306 E CA 1.262 57.702 56.400 0.066 0.000 0.806 306 E CB -0.451 29.305 29.700 0.094 0.000 0.750 306 E HN 0.537 nan 8.360 nan 0.000 0.458 307 F N 1.479 121.200 119.950 -0.382 0.000 2.095 307 F HA -0.215 4.320 4.527 0.014 0.000 0.298 307 F C 1.827 177.442 175.800 -0.309 0.000 1.104 307 F CA 1.386 59.075 58.000 -0.518 0.000 1.232 307 F CB -0.160 38.158 39.000 -1.136 0.000 0.987 307 F HN -0.087 nan 8.300 nan 0.000 0.475 308 L N 0.185 121.176 121.223 -0.388 0.000 2.083 308 L HA -0.186 4.162 4.340 0.014 0.000 0.209 308 L C 2.450 179.125 176.870 -0.324 0.000 1.083 308 L CA 1.548 56.186 54.840 -0.337 0.000 0.752 308 L CB -0.764 41.132 42.059 -0.271 0.000 0.899 308 L HN 0.210 nan 8.230 nan 0.000 0.433 309 E N 0.369 120.356 120.200 -0.355 0.000 2.023 309 E HA -0.267 4.091 4.350 0.014 0.000 0.196 309 E C 2.189 178.648 176.600 -0.234 0.000 1.003 309 E CA 1.685 57.928 56.400 -0.262 0.000 0.809 309 E CB -0.158 29.443 29.700 -0.165 0.000 0.755 309 E HN 0.541 nan 8.360 nan 0.000 0.449 310 R N 0.733 121.084 120.500 -0.247 0.000 2.235 310 R HA -0.017 4.331 4.340 0.014 0.000 0.213 310 R C 1.236 177.351 176.300 -0.309 0.000 1.059 310 R CA 0.880 56.849 56.100 -0.219 0.000 0.997 310 R CB 0.022 30.231 30.300 -0.152 0.000 0.884 310 R HN 0.011 nan 8.270 nan 0.000 0.462 311 E N 1.300 121.224 120.200 -0.459 0.000 2.465 311 E HA 0.014 4.372 4.350 0.014 0.000 0.191 311 E C -0.492 175.708 176.600 -0.666 0.000 1.053 311 E CA 0.001 56.083 56.400 -0.531 0.000 0.869 311 E CB -0.104 29.231 29.700 -0.608 0.000 0.977 311 E HN 0.464 nan 8.360 nan 0.000 0.483 312 N N -0.591 117.831 118.700 -0.463 0.000 2.776 312 N HA -0.197 4.551 4.740 0.014 0.000 0.249 312 N C -0.016 175.219 175.510 -0.459 0.000 1.111 312 N CA 0.257 53.069 53.050 -0.397 0.000 0.711 312 N CB -1.485 36.796 38.487 -0.343 0.000 1.065 312 N HN 0.091 nan 8.380 nan 0.000 0.556 313 F N 0.203 120.055 119.950 -0.163 0.000 2.765 313 F HA 0.328 4.863 4.527 0.013 0.000 0.302 313 F C 1.080 176.820 175.800 -0.100 0.000 1.111 313 F CA 0.174 58.105 58.000 -0.114 0.000 1.359 313 F CB 0.026 38.952 39.000 -0.125 0.000 1.097 313 F HN 0.088 nan 8.300 nan 0.000 0.577 314 M N 0.788 120.380 119.600 -0.013 0.000 2.573 314 M HA -0.155 4.333 4.480 0.014 0.000 0.184 314 M C -2.576 173.699 176.300 -0.041 0.000 0.953 314 M CA -0.290 54.990 55.300 -0.035 0.000 0.592 314 M CB -1.653 30.948 32.600 0.002 0.000 1.151 314 M HN -0.156 nan 8.290 nan 0.000 0.850 315 P HA 0.150 nan 4.420 nan 0.000 0.271 315 P C 0.257 177.552 177.300 -0.008 0.000 1.216 315 P CA 0.008 62.971 63.100 -0.227 0.000 0.776 315 P CB 0.963 32.169 31.700 -0.823 0.000 0.881 316 L N 1.985 123.302 121.223 0.156 0.000 2.185 316 L HA 0.199 4.547 4.340 0.014 0.000 0.198 316 L C 1.491 178.577 176.870 0.360 0.000 1.079 316 L CA 1.037 56.010 54.840 0.221 0.000 0.780 316 L CB -0.203 41.938 42.059 0.137 0.000 0.955 316 L HN 0.379 nan 8.230 nan 0.000 0.462 317 R N -1.241 119.474 120.500 0.359 0.000 2.764 317 R HA 0.480 4.828 4.340 0.014 0.000 0.270 317 R C -1.218 175.249 176.300 0.278 0.000 1.014 317 R CA -0.413 55.844 56.100 0.261 0.000 0.904 317 R CB 2.346 32.697 30.300 0.084 0.000 1.236 317 R HN 0.148 nan 8.270 nan 0.000 0.466 318 S N -0.112 115.643 115.700 0.091 0.000 2.632 318 S HA 0.952 5.430 4.470 0.014 0.000 0.289 318 S C -1.065 173.447 174.600 -0.147 0.000 1.115 318 S CA -0.648 57.531 58.200 -0.036 0.000 0.889 318 S CB 2.504 65.744 63.200 0.067 0.000 1.116 318 S HN 0.781 nan 8.310 nan 0.000 0.486 319 A N 0.560 123.236 122.820 -0.241 0.000 2.588 319 A HA 0.923 5.251 4.320 0.014 0.000 0.290 319 A C -1.502 175.984 177.584 -0.163 0.000 1.136 319 A CA -0.931 50.952 52.037 -0.258 0.000 0.681 319 A CB 0.889 19.744 19.000 -0.242 0.000 1.282 319 A HN 1.748 nan 8.150 nan 0.000 0.421 320 F N -1.465 118.457 119.950 -0.048 0.000 2.645 320 F HA 0.900 5.435 4.527 0.014 0.000 0.310 320 F C -0.790 175.052 175.800 0.069 0.000 1.102 320 F CA -1.053 56.947 58.000 0.002 0.000 0.952 320 F CB 1.748 40.764 39.000 0.028 0.000 1.326 320 F HN 0.478 nan 8.300 nan 0.000 0.456 321 K N 1.696 122.316 120.400 0.368 0.000 2.513 321 K HA 0.734 5.062 4.320 0.014 0.000 0.251 321 K C -1.769 175.020 176.600 0.316 0.000 0.939 321 K CA -0.654 55.818 56.287 0.308 0.000 0.793 321 K CB 2.100 34.712 32.500 0.187 0.000 1.241 321 K HN 1.085 nan 8.250 nan 0.000 0.431 322 A N 2.880 125.851 122.820 0.252 0.000 2.249 322 A HA 0.516 4.844 4.320 0.014 0.000 0.314 322 A C -0.027 177.657 177.584 0.166 0.000 1.290 322 A CA -0.298 51.808 52.037 0.114 0.000 0.893 322 A CB 0.806 19.776 19.000 -0.050 0.000 1.165 322 A HN 0.643 nan 8.150 nan 0.000 0.530 323 S N 0.226 116.035 115.700 0.182 0.000 2.646 323 S HA 0.208 4.686 4.470 0.014 0.000 0.273 323 S C 1.256 175.904 174.600 0.080 0.000 1.168 323 S CA -0.528 57.777 58.200 0.175 0.000 1.013 323 S CB 0.430 63.806 63.200 0.292 0.000 1.098 323 S HN 0.764 nan 8.310 nan 0.000 0.544 324 E N 1.021 121.260 120.200 0.064 0.000 2.051 324 E HA -0.133 4.225 4.350 0.014 0.000 0.192 324 E C 1.740 178.290 176.600 -0.084 0.000 0.991 324 E CA 1.256 57.658 56.400 0.003 0.000 0.799 324 E CB -0.084 29.622 29.700 0.011 0.000 0.748 324 E HN 0.656 nan 8.360 nan 0.000 0.449 325 E N -1.563 118.549 120.200 -0.146 0.000 2.290 325 E HA 0.060 4.418 4.350 0.014 0.000 0.197 325 E C -0.181 176.002 176.600 -0.694 0.000 0.948 325 E CA 0.003 56.122 56.400 -0.469 0.000 0.895 325 E CB 0.494 29.795 29.700 -0.665 0.000 0.865 325 E HN -0.060 nan 8.360 nan 0.000 0.486 326 F N -0.488 119.393 119.950 -0.115 0.000 2.593 326 F HA 0.446 4.981 4.527 0.013 0.000 0.320 326 F C -0.441 175.062 175.800 -0.496 0.000 1.060 326 F CA -1.179 56.617 58.000 -0.339 0.000 0.940 326 F CB 1.608 40.342 39.000 -0.444 0.000 1.268 326 F HN -0.129 nan 8.300 nan 0.000 0.475 327 C N 1.048 119.946 119.300 -0.669 0.000 2.529 327 C HA 0.695 5.163 4.460 0.014 0.000 0.329 327 C C -1.269 173.129 174.990 -0.985 0.000 1.194 327 C CA -1.074 57.488 59.018 -0.761 0.000 1.779 327 C CB 0.935 28.075 27.740 -1.000 0.000 2.322 327 C HN 0.634 nan 8.230 nan 0.000 0.500 328 Y N 1.761 121.949 120.300 -0.187 0.000 2.373 328 Y HA 0.615 5.173 4.550 0.013 0.000 0.336 328 Y C -0.196 175.734 175.900 0.050 0.000 0.979 328 Y CA -0.770 57.303 58.100 -0.045 0.000 1.080 328 Y CB 0.776 39.227 38.460 -0.015 0.000 1.190 328 Y HN 0.360 nan 8.280 nan 0.000 0.446 329 L N 5.412 126.776 121.223 0.236 0.000 2.276 329 L HA 0.544 4.892 4.340 0.014 0.000 0.286 329 L C -0.864 175.859 176.870 -0.244 0.000 1.024 329 L CA -0.518 54.371 54.840 0.081 0.000 0.826 329 L CB 0.798 43.039 42.059 0.303 0.000 1.211 329 L HN 0.497 nan 8.230 nan 0.000 0.422 330 L N 3.845 124.751 121.223 -0.527 0.000 2.309 330 L HA 0.600 4.949 4.340 0.014 0.000 0.282 330 L C -0.836 175.456 176.870 -0.963 0.000 1.036 330 L CA -0.245 54.290 54.840 -0.509 0.000 0.806 330 L CB 1.234 43.151 42.059 -0.238 0.000 1.220 330 L HN 0.332 nan 8.230 nan 0.000 0.429 331 F N 0.601 120.353 119.950 -0.330 0.000 2.578 331 F HA 0.462 4.997 4.527 0.013 0.000 0.311 331 F C -0.135 175.439 175.800 -0.375 0.000 1.094 331 F CA -0.720 57.042 58.000 -0.397 0.000 0.923 331 F CB 2.025 40.607 39.000 -0.696 0.000 1.230 331 F HN 0.367 nan 8.300 nan 0.000 0.450 332 E N 2.091 122.312 120.200 0.035 0.000 2.199 332 E HA 0.677 5.035 4.350 0.014 0.000 0.265 332 E C -1.760 174.900 176.600 0.101 0.000 0.882 332 E CA -0.417 56.019 56.400 0.059 0.000 0.759 332 E CB 1.397 31.140 29.700 0.072 0.000 1.148 332 E HN 0.751 nan 8.360 nan 0.000 0.412 333 C N 3.444 122.819 119.300 0.126 0.000 2.634 333 C HA 0.263 4.731 4.460 0.014 0.000 0.313 333 C C 1.198 176.263 174.990 0.125 0.000 1.198 333 C CA -0.572 58.523 59.018 0.128 0.000 1.605 333 C CB 1.762 29.609 27.740 0.178 0.000 2.196 333 C HN 0.875 nan 8.230 nan 0.000 0.486 334 Q N 0.726 120.588 119.800 0.104 0.000 2.369 334 Q HA 0.061 4.409 4.340 0.014 0.000 0.206 334 Q C 0.034 176.098 176.000 0.106 0.000 0.963 334 Q CA 0.905 56.762 55.803 0.091 0.000 0.894 334 Q CB 0.181 28.959 28.738 0.066 0.000 0.965 334 Q HN 0.567 nan 8.270 nan 0.000 0.475 335 I N 0.960 121.621 120.570 0.151 0.000 2.354 335 I HA 0.128 4.306 4.170 0.014 0.000 0.286 335 I C 0.642 176.884 176.117 0.208 0.000 1.007 335 I CA -0.079 61.332 61.300 0.186 0.000 1.167 335 I CB 1.550 39.688 38.000 0.230 0.000 1.320 335 I HN -0.025 nan 8.210 nan 0.000 0.458 336 K N 3.344 123.831 120.400 0.145 0.000 2.186 336 K HA 0.087 4.415 4.320 0.014 0.000 0.202 336 K C 0.475 177.137 176.600 0.105 0.000 1.052 336 K CA 0.748 57.097 56.287 0.103 0.000 0.965 336 K CB 0.635 33.185 32.500 0.083 0.000 0.746 336 K HN 0.547 nan 8.250 nan 0.000 0.457 337 E N 0.569 120.860 120.200 0.151 0.000 2.321 337 E HA 0.285 4.643 4.350 0.014 0.000 0.281 337 E C -1.790 174.918 176.600 0.180 0.000 0.910 337 E CA -0.383 56.117 56.400 0.167 0.000 0.770 337 E CB 1.660 31.422 29.700 0.104 0.000 1.225 337 E HN -0.011 nan 8.360 nan 0.000 0.417 338 I N 2.396 123.101 120.570 0.225 0.000 2.750 338 I HA 0.375 4.553 4.170 0.014 0.000 0.308 338 I C 0.180 176.355 176.117 0.097 0.000 1.016 338 I CA -0.503 60.865 61.300 0.112 0.000 1.098 338 I CB 1.675 39.668 38.000 -0.011 0.000 1.279 338 I HN 0.698 nan 8.210 nan 0.000 0.454 339 S N 4.670 120.407 115.700 0.061 0.000 2.576 339 S HA 0.104 4.582 4.470 0.014 0.000 0.272 339 S C 0.926 175.584 174.600 0.096 0.000 1.352 339 S CA -0.187 58.051 58.200 0.064 0.000 1.021 339 S CB 1.148 64.372 63.200 0.040 0.000 0.887 339 S HN 0.800 nan 8.310 nan 0.000 0.542 340 R N 0.777 121.335 120.500 0.097 0.000 2.073 340 R HA 0.127 4.475 4.340 0.014 0.000 0.229 340 R C 0.805 177.217 176.300 0.187 0.000 1.120 340 R CA 0.739 56.916 56.100 0.128 0.000 0.967 340 R CB -0.414 29.952 30.300 0.110 0.000 0.862 340 R HN 0.615 nan 8.270 nan 0.000 0.436 341 V N 1.575 121.564 119.914 0.124 0.000 2.686 341 V HA 0.289 4.417 4.120 0.014 0.000 0.295 341 V C -0.538 175.718 176.094 0.269 0.000 1.055 341 V CA -0.021 62.351 62.300 0.120 0.000 1.050 341 V CB 0.696 32.450 31.823 -0.114 0.000 0.984 341 V HN 0.263 nan 8.190 nan 0.000 0.482 342 F N 4.538 124.590 119.950 0.170 0.000 2.692 342 F HA 0.777 5.312 4.527 0.014 0.000 0.320 342 F C -0.592 175.396 175.800 0.313 0.000 1.123 342 F CA -1.546 56.566 58.000 0.187 0.000 0.961 342 F CB 1.468 40.525 39.000 0.095 0.000 1.383 342 F HN 0.268 nan 8.300 nan 0.000 0.483 343 R N 1.209 121.966 120.500 0.427 0.000 2.460 343 R HA 0.586 4.934 4.340 0.014 0.000 0.303 343 R C -1.077 175.494 176.300 0.451 0.000 0.968 343 R CA -0.983 55.323 56.100 0.343 0.000 0.889 343 R CB 1.962 32.461 30.300 0.332 0.000 1.123 343 R HN 0.785 nan 8.270 nan 0.000 0.455 344 R N 3.495 124.201 120.500 0.344 0.000 2.513 344 R HA 0.299 4.647 4.340 0.014 0.000 0.301 344 R C -0.787 175.616 176.300 0.171 0.000 0.968 344 R CA -0.581 55.711 56.100 0.321 0.000 0.872 344 R CB 1.460 31.906 30.300 0.244 0.000 1.177 344 R HN 0.559 nan 8.270 nan 0.000 0.444 345 M N 4.130 123.619 119.600 -0.185 0.000 2.200 345 M HA 0.283 4.771 4.480 0.014 0.000 0.355 345 M C -0.274 175.545 176.300 -0.802 0.000 1.283 345 M CA 0.324 55.009 55.300 -1.024 0.000 1.124 345 M CB 0.897 32.890 32.600 -1.011 0.000 1.625 345 M HN 0.901 nan 8.290 nan 0.000 0.463 346 G N 4.969 113.053 108.800 -1.193 0.000 2.795 346 G HA2 0.732 4.701 3.960 0.014 0.000 0.267 346 G HA3 0.732 4.701 3.960 0.014 0.000 0.267 346 G C -2.990 171.364 174.900 -0.911 0.000 1.362 346 G CA -1.015 43.115 45.100 -1.616 0.000 1.048 346 G HN 0.511 nan 8.290 nan 0.000 0.547 347 P HA 0.182 nan 4.420 nan 0.000 0.276 347 P C -0.633 176.579 177.300 -0.147 0.000 1.252 347 P CA -0.353 62.547 63.100 -0.334 0.000 0.802 347 P CB 0.897 32.453 31.700 -0.240 0.000 1.035 348 Q N 0.466 120.198 119.800 -0.113 0.000 2.333 348 Q HA -0.033 4.315 4.340 0.014 0.000 0.299 348 Q C 1.104 177.129 176.000 0.043 0.000 1.067 348 Q CA 0.217 55.993 55.803 -0.046 0.000 0.943 348 Q CB -0.038 28.627 28.738 -0.122 0.000 1.233 348 Q HN 0.509 nan 8.270 nan 0.000 0.401 349 F N 1.512 121.511 119.950 0.081 0.000 2.250 349 F HA -0.166 4.369 4.527 0.013 0.000 0.301 349 F C 1.130 177.013 175.800 0.138 0.000 1.077 349 F CA 1.341 59.452 58.000 0.186 0.000 1.348 349 F CB -0.061 38.980 39.000 0.068 0.000 1.040 349 F HN 0.511 nan 8.300 nan 0.000 0.509 350 E N 0.128 119.898 120.200 -0.716 0.000 2.204 350 E HA -0.152 4.206 4.350 0.014 0.000 0.194 350 E C 0.609 177.103 176.600 -0.178 0.000 0.989 350 E CA 1.049 57.136 56.400 -0.521 0.000 0.824 350 E CB -0.386 28.967 29.700 -0.578 0.000 0.756 350 E HN 0.301 nan 8.360 nan 0.000 0.477 351 D N 0.851 121.176 120.400 -0.125 0.000 2.545 351 D HA -0.047 4.601 4.640 0.014 0.000 0.227 351 D C 0.789 177.069 176.300 -0.034 0.000 1.150 351 D CA 0.126 54.080 54.000 -0.076 0.000 1.046 351 D CB 0.048 40.797 40.800 -0.084 0.000 1.098 351 D HN 0.169 nan 8.370 nan 0.000 0.502 352 E N 2.533 122.721 120.200 -0.019 0.000 2.065 352 E HA -0.295 4.063 4.350 0.014 0.000 0.201 352 E C 1.822 178.407 176.600 -0.024 0.000 1.016 352 E CA 1.157 57.557 56.400 -0.001 0.000 0.818 352 E CB 0.207 29.912 29.700 0.007 0.000 0.749 352 E HN 0.335 nan 8.360 nan 0.000 0.453 353 R N -0.011 120.471 120.500 -0.029 0.000 2.081 353 R HA -0.104 4.244 4.340 0.014 0.000 0.235 353 R C 2.074 178.350 176.300 -0.040 0.000 1.131 353 R CA 1.720 57.800 56.100 -0.033 0.000 0.960 353 R CB -0.029 30.254 30.300 -0.028 0.000 0.856 353 R HN 0.209 nan 8.270 nan 0.000 0.436 354 N N -0.180 118.492 118.700 -0.047 0.000 2.216 354 N HA -0.102 4.646 4.740 0.014 0.000 0.183 354 N C 1.759 177.236 175.510 -0.056 0.000 1.017 354 N CA 1.128 54.148 53.050 -0.050 0.000 0.861 354 N CB -0.049 38.395 38.487 -0.071 0.000 0.986 354 N HN 0.053 nan 8.380 nan 0.000 0.428 355 V N 1.867 121.726 119.914 -0.090 0.000 2.255 355 V HA -0.254 3.874 4.120 0.014 0.000 0.247 355 V C 2.514 178.497 176.094 -0.185 0.000 1.051 355 V CA 1.663 63.849 62.300 -0.190 0.000 1.018 355 V CB -0.497 31.201 31.823 -0.209 0.000 0.641 355 V HN 0.308 nan 8.190 nan 0.000 0.445 356 K N 0.428 120.752 120.400 -0.126 0.000 2.044 356 K HA -0.294 4.035 4.320 0.014 0.000 0.210 356 K C 2.271 178.818 176.600 -0.088 0.000 1.049 356 K CA 2.296 58.518 56.287 -0.109 0.000 0.927 356 K CB -0.257 32.203 32.500 -0.067 0.000 0.713 356 K HN 0.373 nan 8.250 nan 0.000 0.443 357 K N -0.598 119.772 120.400 -0.049 0.000 2.057 357 K HA -0.161 4.167 4.320 0.014 0.000 0.207 357 K C 2.014 178.607 176.600 -0.012 0.000 1.049 357 K CA 1.411 57.681 56.287 -0.029 0.000 0.931 357 K CB -0.260 32.235 32.500 -0.009 0.000 0.714 357 K HN 0.148 nan 8.250 nan 0.000 0.440 358 F N 1.529 121.380 119.950 -0.166 0.000 2.126 358 F HA -0.142 4.393 4.527 0.014 0.000 0.299 358 F C 1.525 177.204 175.800 -0.202 0.000 1.096 358 F CA 1.429 59.321 58.000 -0.180 0.000 1.255 358 F CB -0.085 38.781 39.000 -0.223 0.000 0.997 358 F HN -0.025 nan 8.300 nan 0.000 0.479 359 L N -0.258 120.829 121.223 -0.226 0.000 2.395 359 L HA -0.090 4.258 4.340 0.014 0.000 0.218 359 L C 2.425 179.160 176.870 -0.226 0.000 1.130 359 L CA 0.989 55.641 54.840 -0.313 0.000 0.826 359 L CB -0.860 40.982 42.059 -0.362 0.000 0.941 359 L HN 0.265 nan 8.230 nan 0.000 0.451 360 S N -1.087 114.510 115.700 -0.173 0.000 2.481 360 S HA -0.002 4.476 4.470 0.014 0.000 0.231 360 S C 1.173 175.696 174.600 -0.128 0.000 0.996 360 S CA -0.099 58.026 58.200 -0.124 0.000 0.942 360 S CB -0.118 63.029 63.200 -0.087 0.000 0.768 360 S HN 0.201 nan 8.310 nan 0.000 0.520 361 R N 3.178 123.573 120.500 -0.176 0.000 2.590 361 R HA 0.263 4.611 4.340 0.014 0.000 0.274 361 R C -0.493 175.721 176.300 -0.143 0.000 1.061 361 R CA -0.084 55.919 56.100 -0.163 0.000 1.081 361 R CB -0.286 29.880 30.300 -0.224 0.000 0.984 361 R HN 0.407 nan 8.270 nan 0.000 0.448 362 N N 3.661 122.299 118.700 -0.103 0.000 2.411 362 N HA 0.185 4.933 4.740 0.014 0.000 0.259 362 N C -0.004 175.453 175.510 -0.087 0.000 1.103 362 N CA 0.026 53.025 53.050 -0.086 0.000 0.954 362 N CB 1.160 39.608 38.487 -0.065 0.000 1.085 362 N HN 0.227 nan 8.380 nan 0.000 0.485 363 R N 0.421 120.868 120.500 -0.087 0.000 2.855 363 R HA 0.577 4.925 4.340 0.014 0.000 0.266 363 R C 0.447 176.684 176.300 -0.105 0.000 1.034 363 R CA -0.864 55.192 56.100 -0.073 0.000 0.944 363 R CB 0.976 31.247 30.300 -0.050 0.000 1.219 363 R HN 0.438 nan 8.270 nan 0.000 0.474 364 A N 0.741 123.471 122.820 -0.150 0.000 2.067 364 A HA 0.200 4.528 4.320 0.014 0.000 0.217 364 A C 0.009 177.169 177.584 -0.707 0.000 1.156 364 A CA 1.016 52.786 52.037 -0.445 0.000 0.683 364 A CB -0.031 18.640 19.000 -0.548 0.000 0.808 364 A HN 0.414 nan 8.150 nan 0.000 0.455 365 F N -1.418 118.568 119.950 0.060 0.000 2.620 365 F HA 0.514 5.049 4.527 0.014 0.000 0.320 365 F C 0.306 176.220 175.800 0.189 0.000 1.069 365 F CA -1.101 56.970 58.000 0.119 0.000 0.953 365 F CB 1.343 40.416 39.000 0.122 0.000 1.322 365 F HN -0.172 nan 8.300 nan 0.000 0.479 366 R N 1.519 122.280 120.500 0.434 0.000 2.347 366 R HA 0.336 4.684 4.340 0.014 0.000 0.304 366 R C -2.490 174.082 176.300 0.454 0.000 1.072 366 R CA -1.501 54.806 56.100 0.345 0.000 0.980 366 R CB 0.008 30.483 30.300 0.292 0.000 0.986 366 R HN 0.192 nan 8.270 nan 0.000 0.448 367 P HA 0.020 nan 4.420 nan 0.000 0.271 367 P C -0.988 176.650 177.300 0.564 0.000 1.233 367 P CA -0.041 63.283 63.100 0.373 0.000 0.789 367 P CB 0.421 32.279 31.700 0.264 0.000 0.951 368 F N -1.762 118.401 119.950 0.355 0.000 2.643 368 F HA 0.677 5.212 4.527 0.013 0.000 0.314 368 F C -1.169 174.596 175.800 -0.057 0.000 1.096 368 F CA -1.466 56.609 58.000 0.124 0.000 0.953 368 F CB 0.728 39.739 39.000 0.017 0.000 1.345 368 F HN 0.010 nan 8.300 nan 0.000 0.468 369 I N 1.557 122.000 120.570 -0.210 0.000 2.353 369 I HA 0.410 4.588 4.170 0.014 0.000 0.293 369 I C -0.682 175.442 176.117 0.013 0.000 0.992 369 I CA -0.324 60.736 61.300 -0.399 0.000 1.268 369 I CB 1.695 39.279 38.000 -0.694 0.000 1.387 369 I HN 0.763 nan 8.210 nan 0.000 0.478 370 E N 6.605 126.861 120.200 0.094 0.000 2.287 370 E HA 0.212 4.571 4.350 0.014 0.000 0.274 370 E C -0.980 175.701 176.600 0.135 0.000 0.896 370 E CA -0.604 55.860 56.400 0.107 0.000 0.788 370 E CB 0.916 30.639 29.700 0.038 0.000 1.244 370 E HN 0.620 nan 8.360 nan 0.000 0.408 371 N N 3.234 121.968 118.700 0.056 0.000 2.705 371 N HA -0.252 4.496 4.740 0.014 0.000 0.255 371 N C 0.621 176.191 175.510 0.099 0.000 1.008 371 N CA 1.536 54.628 53.050 0.069 0.000 0.742 371 N CB -1.223 37.313 38.487 0.083 0.000 0.906 371 N HN 1.013 nan 8.380 nan 0.000 0.541 372 G N -0.670 108.167 108.800 0.062 0.000 2.179 372 G HA2 -0.371 3.597 3.960 0.014 0.000 0.260 372 G HA3 -0.371 3.597 3.960 0.014 0.000 0.260 372 G C 0.077 175.086 174.900 0.182 0.000 0.977 372 G CA 0.869 46.070 45.100 0.167 0.000 0.641 372 G HN 0.905 nan 8.290 nan 0.000 0.533 373 R N -1.204 119.343 120.500 0.078 0.000 2.807 373 R HA 0.630 4.978 4.340 0.014 0.000 0.276 373 R C -0.587 175.636 176.300 -0.129 0.000 0.979 373 R CA -1.301 54.786 56.100 -0.022 0.000 0.928 373 R CB 1.131 31.358 30.300 -0.121 0.000 1.191 373 R HN 0.097 nan 8.270 nan 0.000 0.471 374 W N 1.156 122.327 121.300 -0.214 0.000 2.202 374 W HA 0.278 4.946 4.660 0.014 0.000 0.332 374 W C -0.641 175.535 176.519 -0.572 0.000 1.263 374 W CA 0.263 57.467 57.345 -0.234 0.000 1.223 374 W CB 0.667 30.029 29.460 -0.163 0.000 1.128 374 W HN 0.447 nan 8.180 nan 0.000 0.573 375 W N 1.630 122.772 121.300 -0.262 0.000 2.915 375 W HA 0.651 5.319 4.660 0.013 0.000 0.337 375 W C -0.579 175.731 176.519 -0.348 0.000 1.102 375 W CA -1.122 55.928 57.345 -0.491 0.000 1.224 375 W CB 1.263 30.021 29.460 -1.170 0.000 1.416 375 W HN 0.411 nan 8.180 nan 0.000 0.503 376 A N 2.563 125.492 122.820 0.181 0.000 2.337 376 A HA 0.805 5.133 4.320 0.014 0.000 0.329 376 A C -1.360 176.221 177.584 -0.005 0.000 1.146 376 A CA -0.743 51.308 52.037 0.024 0.000 0.800 376 A CB 0.440 19.355 19.000 -0.140 0.000 1.220 376 A HN 0.540 nan 8.150 nan 0.000 0.472 377 F N 1.175 121.250 119.950 0.209 0.000 2.456 377 F HA 0.427 4.962 4.527 0.013 0.000 0.358 377 F C 0.865 176.613 175.800 -0.088 0.000 1.095 377 F CA 0.556 58.608 58.000 0.087 0.000 1.216 377 F CB 0.995 40.094 39.000 0.165 0.000 1.125 377 F HN 0.652 nan 8.300 nan 0.000 0.549 378 E N 2.231 122.300 120.200 -0.217 0.000 2.410 378 E HA 0.551 4.909 4.350 0.014 0.000 0.269 378 E C -1.094 175.298 176.600 -0.347 0.000 0.937 378 E CA -0.782 55.349 56.400 -0.448 0.000 0.793 378 E CB 1.438 30.533 29.700 -1.009 0.000 1.314 378 E HN 0.290 nan 8.360 nan 0.000 0.447 379 M N 1.742 121.312 119.600 -0.050 0.000 2.253 379 M HA 0.455 4.943 4.480 0.014 0.000 0.314 379 M C -0.319 176.146 176.300 0.276 0.000 1.019 379 M CA -0.476 54.914 55.300 0.151 0.000 0.932 379 M CB 1.523 34.196 32.600 0.121 0.000 1.606 379 M HN 0.396 nan 8.290 nan 0.000 0.430 380 R N 1.363 122.047 120.500 0.306 0.000 2.694 380 R HA 0.149 4.497 4.340 0.014 0.000 0.268 380 R C 0.990 177.243 176.300 -0.078 0.000 1.061 380 R CA -0.219 55.915 56.100 0.057 0.000 1.133 380 R CB 1.133 31.394 30.300 -0.066 0.000 1.020 380 R HN 0.449 nan 8.270 nan 0.000 0.475 381 K N 1.661 121.875 120.400 -0.311 0.000 2.361 381 K HA 0.070 4.398 4.320 0.014 0.000 0.196 381 K C -0.014 176.541 176.600 -0.075 0.000 1.039 381 K CA 0.717 56.894 56.287 -0.184 0.000 1.001 381 K CB 0.229 32.649 32.500 -0.133 0.000 0.795 381 K HN 0.368 nan 8.250 nan 0.000 0.495 382 F N -1.766 118.275 119.950 0.150 0.000 2.631 382 F HA 0.357 4.892 4.527 0.013 0.000 0.308 382 F C 0.515 176.425 175.800 0.183 0.000 1.097 382 F CA -1.253 56.836 58.000 0.148 0.000 0.952 382 F CB 0.917 40.014 39.000 0.162 0.000 1.307 382 F HN -0.175 nan 8.300 nan 0.000 0.450 383 T N -2.929 111.874 114.554 0.417 0.000 3.043 383 T HA 0.317 4.675 4.350 0.014 0.000 0.272 383 T C 0.181 175.101 174.700 0.367 0.000 0.990 383 T CA 0.527 62.835 62.100 0.348 0.000 0.897 383 T CB -0.375 68.612 68.868 0.197 0.000 1.111 383 T HN 1.011 nan 8.240 nan 0.000 0.529 384 T N -0.608 114.088 114.554 0.237 0.000 2.907 384 T HA 0.564 4.922 4.350 0.014 0.000 0.292 384 T C -2.348 171.983 174.700 -0.615 0.000 1.043 384 T CA -1.897 60.164 62.100 -0.065 0.000 1.003 384 T CB 2.518 71.322 68.868 -0.107 0.000 1.084 384 T HN -0.274 nan 8.240 nan 0.000 0.483 385 P HA -0.077 nan 4.420 nan 0.000 0.218 385 P C 0.911 177.575 177.300 -1.060 0.000 1.149 385 P CA 1.154 63.365 63.100 -1.482 0.000 0.817 385 P CB 0.274 31.410 31.700 -0.940 0.000 0.785 386 E N 0.204 119.763 120.200 -1.069 0.000 2.051 386 E HA -0.173 4.185 4.350 0.014 0.000 0.192 386 E C 2.143 178.462 176.600 -0.468 0.000 0.991 386 E CA 1.154 56.995 56.400 -0.932 0.000 0.799 386 E CB -0.580 28.725 29.700 -0.658 0.000 0.748 386 E HN 0.261 nan 8.360 nan 0.000 0.449 387 E N -0.079 119.921 120.200 -0.332 0.000 2.152 387 E HA -0.053 4.305 4.350 0.014 0.000 0.192 387 E C 2.189 178.619 176.600 -0.283 0.000 0.983 387 E CA 1.001 57.303 56.400 -0.163 0.000 0.818 387 E CB -0.515 29.188 29.700 0.004 0.000 0.758 387 E HN 0.363 nan 8.360 nan 0.000 0.467 388 G N 1.171 109.629 108.800 -0.569 0.000 2.421 388 G HA2 -0.223 3.745 3.960 0.014 0.000 0.216 388 G HA3 -0.223 3.745 3.960 0.014 0.000 0.216 388 G C 1.830 176.435 174.900 -0.493 0.000 1.171 388 G CA 1.003 45.477 45.100 -1.042 0.000 0.775 388 G HN 0.202 nan 8.290 nan 0.000 0.543 389 V N 0.802 120.525 119.914 -0.318 0.000 2.358 389 V HA -0.149 3.979 4.120 0.014 0.000 0.246 389 V C 2.751 178.720 176.094 -0.210 0.000 1.047 389 V CA 2.056 64.184 62.300 -0.287 0.000 1.035 389 V CB -0.514 31.237 31.823 -0.120 0.000 0.658 389 V HN 0.430 nan 8.190 nan 0.000 0.452 390 R N 0.172 120.618 120.500 -0.091 0.000 2.096 390 R HA -0.235 4.113 4.340 0.014 0.000 0.240 390 R C 2.599 178.960 176.300 0.101 0.000 1.139 390 R CA 2.182 58.364 56.100 0.136 0.000 0.952 390 R CB -0.495 29.861 30.300 0.094 0.000 0.854 390 R HN 0.488 nan 8.270 nan 0.000 0.436 391 S N -0.756 114.930 115.700 -0.023 0.000 2.355 391 S HA -0.197 4.281 4.470 0.014 0.000 0.222 391 S C 1.815 176.381 174.600 -0.057 0.000 1.031 391 S CA 1.150 59.373 58.200 0.037 0.000 0.993 391 S CB -0.514 62.780 63.200 0.156 0.000 0.859 391 S HN 0.572 nan 8.310 nan 0.000 0.453 392 Y N 2.115 122.138 120.300 -0.461 0.000 2.097 392 Y HA -0.047 4.511 4.550 0.014 0.000 0.282 392 Y C 2.453 178.135 175.900 -0.363 0.000 1.152 392 Y CA 1.575 59.288 58.100 -0.644 0.000 1.136 392 Y CB -0.986 36.487 38.460 -1.645 0.000 0.975 392 Y HN 0.314 nan 8.280 nan 0.000 0.498 393 A N -0.953 121.596 122.820 -0.452 0.000 1.972 393 A HA -0.146 4.182 4.320 0.014 0.000 0.219 393 A C 2.341 179.745 177.584 -0.299 0.000 1.169 393 A CA 1.854 53.557 52.037 -0.556 0.000 0.635 393 A CB -0.968 17.453 19.000 -0.964 0.000 0.810 393 A HN 0.507 nan 8.150 nan 0.000 0.446 394 S N -1.417 114.264 115.700 -0.032 0.000 2.406 394 S HA -0.085 4.393 4.470 0.014 0.000 0.228 394 S C 1.985 176.685 174.600 0.167 0.000 1.020 394 S CA 1.653 59.962 58.200 0.182 0.000 0.965 394 S CB -0.220 63.103 63.200 0.205 0.000 0.798 394 S HN 0.663 nan 8.310 nan 0.000 0.488 395 T N -0.130 114.427 114.554 0.005 0.000 3.039 395 T HA 0.097 4.455 4.350 0.014 0.000 0.250 395 T C 0.756 175.232 174.700 -0.373 0.000 1.052 395 T CA 0.343 62.418 62.100 -0.041 0.000 1.125 395 T CB -0.025 68.866 68.868 0.038 0.000 0.908 395 T HN 0.437 nan 8.240 nan 0.000 0.473 396 H N 0.275 118.933 119.070 -0.685 0.000 2.512 396 H HA 0.113 4.678 4.556 0.014 0.000 0.276 396 H C 1.533 176.171 175.328 -1.149 0.000 1.126 396 H CA -0.371 54.976 56.048 -1.169 0.000 1.060 396 H CB 0.043 29.026 29.762 -1.298 0.000 1.646 396 H HN 0.590 nan 8.280 nan 0.000 0.571 397 W N 2.113 123.056 121.300 -0.595 0.000 2.308 397 W HA -0.246 4.423 4.660 0.014 0.000 0.301 397 W C 1.517 177.831 176.519 -0.341 0.000 1.220 397 W CA 1.401 58.499 57.345 -0.412 0.000 1.240 397 W CB -1.142 28.172 29.460 -0.243 0.000 1.142 397 W HN 0.377 nan 8.180 nan 0.000 0.521 398 H N -0.351 118.016 119.070 -1.172 0.000 2.457 398 H HA -0.044 4.520 4.556 0.014 0.000 0.294 398 H C 1.500 176.566 175.328 -0.438 0.000 1.064 398 H CA 1.621 57.029 56.048 -1.066 0.000 1.330 398 H CB -1.181 27.717 29.762 -1.440 0.000 1.395 398 H HN 0.103 nan 8.280 nan 0.000 0.541 399 T N 0.941 115.221 114.554 -0.456 0.000 3.144 399 T HA 0.213 4.571 4.350 0.014 0.000 0.249 399 T C 1.173 175.810 174.700 -0.105 0.000 1.089 399 T CA -0.271 61.737 62.100 -0.155 0.000 0.989 399 T CB -0.289 68.541 68.868 -0.063 0.000 0.992 399 T HN 0.276 nan 8.240 nan 0.000 0.540 400 L N 1.444 122.586 121.223 -0.135 0.000 2.912 400 L HA 0.452 4.801 4.340 0.014 0.000 0.240 400 L C 0.949 177.780 176.870 -0.066 0.000 1.262 400 L CA -0.480 54.306 54.840 -0.090 0.000 1.058 400 L CB -0.457 41.517 42.059 -0.141 0.000 1.383 400 L HN 0.331 nan 8.230 nan 0.000 0.512 401 G N 0.705 109.479 108.800 -0.044 0.000 2.719 401 G HA2 -0.239 3.729 3.960 0.014 0.000 0.686 401 G HA3 -0.239 3.729 3.960 0.014 0.000 0.686 401 G C 0.135 175.033 174.900 -0.003 0.000 1.201 401 G CA -0.077 45.004 45.100 -0.031 0.000 0.768 401 G HN 0.234 nan 8.290 nan 0.000 0.629 402 K N 0.701 121.106 120.400 0.008 0.000 1.991 402 K HA -0.093 4.235 4.320 0.014 0.000 0.212 402 K C 2.204 178.835 176.600 0.053 0.000 1.049 402 K CA 2.644 58.953 56.287 0.036 0.000 0.932 402 K CB -0.222 32.294 32.500 0.025 0.000 0.717 402 K HN 0.513 nan 8.250 nan 0.000 0.441 403 N N -0.382 118.336 118.700 0.029 0.000 2.336 403 N HA -0.064 4.684 4.740 0.014 0.000 0.177 403 N C 1.836 177.366 175.510 0.033 0.000 1.018 403 N CA 1.095 54.165 53.050 0.034 0.000 0.878 403 N CB -0.023 38.478 38.487 0.023 0.000 0.997 403 N HN -0.005 nan 8.380 nan 0.000 0.433 404 V N 1.644 121.567 119.914 0.015 0.000 2.332 404 V HA -0.171 3.957 4.120 0.014 0.000 0.248 404 V C 2.547 178.546 176.094 -0.159 0.000 1.055 404 V CA 2.202 64.486 62.300 -0.028 0.000 1.038 404 V CB -1.180 30.626 31.823 -0.028 0.000 0.651 404 V HN 0.344 nan 8.190 nan 0.000 0.450 405 G N -0.911 107.857 108.800 -0.054 0.000 2.418 405 G HA2 -0.241 3.727 3.960 0.014 0.000 0.217 405 G HA3 -0.241 3.727 3.960 0.014 0.000 0.217 405 G C 1.471 176.471 174.900 0.167 0.000 1.158 405 G CA 0.864 45.995 45.100 0.051 0.000 0.771 405 G HN 0.555 nan 8.290 nan 0.000 0.545 406 E N 0.103 120.386 120.200 0.138 0.000 2.085 406 E HA -0.123 4.235 4.350 0.014 0.000 0.194 406 E C 2.700 179.268 176.600 -0.054 0.000 0.994 406 E CA 1.117 57.536 56.400 0.033 0.000 0.801 406 E CB -0.126 29.602 29.700 0.046 0.000 0.743 406 E HN 0.410 nan 8.360 nan 0.000 0.453 407 S N 0.273 115.965 115.700 -0.013 0.000 2.368 407 S HA -0.113 4.366 4.470 0.014 0.000 0.224 407 S C 1.948 176.554 174.600 0.009 0.000 1.029 407 S CA 0.743 58.970 58.200 0.046 0.000 0.988 407 S CB -0.133 63.181 63.200 0.191 0.000 0.838 407 S HN 0.179 nan 8.310 nan 0.000 0.462 408 I N 1.097 121.559 120.570 -0.179 0.000 2.286 408 I HA -0.137 4.041 4.170 0.014 0.000 0.248 408 I C 2.818 178.928 176.117 -0.011 0.000 1.115 408 I CA 1.090 62.278 61.300 -0.187 0.000 1.392 408 I CB -0.347 37.368 38.000 -0.475 0.000 1.065 408 I HN 0.297 nan 8.210 nan 0.000 0.418 409 R N 1.304 121.704 120.500 -0.166 0.000 2.096 409 R HA -0.248 4.100 4.340 0.014 0.000 0.240 409 R C 2.235 178.391 176.300 -0.240 0.000 1.139 409 R CA 2.329 58.159 56.100 -0.450 0.000 0.952 409 R CB -0.231 29.417 30.300 -1.087 0.000 0.854 409 R HN 0.577 nan 8.270 nan 0.000 0.436 410 E N -1.459 118.665 120.200 -0.127 0.000 2.107 410 E HA -0.169 4.189 4.350 0.014 0.000 0.191 410 E C -0.027 176.645 176.600 0.120 0.000 0.982 410 E CA 0.774 57.158 56.400 -0.026 0.000 0.809 410 E CB -0.023 29.673 29.700 -0.006 0.000 0.756 410 E HN 0.398 nan 8.360 nan 0.000 0.459 411 Y N 0.010 120.326 120.300 0.027 0.000 2.521 411 Y HA 0.418 4.976 4.550 0.014 0.000 0.326 411 Y C -1.992 174.033 175.900 0.209 0.000 1.176 411 Y CA -1.795 56.327 58.100 0.038 0.000 1.079 411 Y CB 0.957 39.430 38.460 0.021 0.000 1.341 411 Y HN 0.050 nan 8.280 nan 0.000 0.456 412 F N 2.109 121.585 119.950 -0.790 0.000 2.686 412 F HA 0.847 5.382 4.527 0.014 0.000 0.311 412 F C -1.912 173.475 175.800 -0.689 0.000 1.128 412 F CA -1.054 56.457 58.000 -0.814 0.000 0.946 412 F CB 1.749 40.584 39.000 -0.274 0.000 1.336 412 F HN 0.580 nan 8.300 nan 0.000 0.457 413 E N 1.328 121.347 120.200 -0.301 0.000 2.343 413 E HA 0.648 5.006 4.350 0.014 0.000 0.270 413 E C -1.808 174.889 176.600 0.162 0.000 0.895 413 E CA -1.089 55.230 56.400 -0.134 0.000 0.767 413 E CB 3.050 32.690 29.700 -0.101 0.000 1.248 413 E HN 0.506 nan 8.360 nan 0.000 0.440 414 I N 2.367 123.016 120.570 0.133 0.000 2.331 414 I HA 0.289 4.468 4.170 0.014 0.000 0.292 414 I C -0.223 175.953 176.117 0.099 0.000 0.998 414 I CA -0.482 60.922 61.300 0.173 0.000 1.267 414 I CB 1.009 39.074 38.000 0.108 0.000 1.386 414 I HN 0.475 nan 8.210 nan 0.000 0.476 415 I N 3.701 124.357 120.570 0.143 0.000 2.545 415 I HA 0.891 5.069 4.170 0.014 0.000 0.292 415 I C -0.452 175.706 176.117 0.068 0.000 1.040 415 I CA -0.391 60.952 61.300 0.071 0.000 1.068 415 I CB 2.152 40.185 38.000 0.054 0.000 1.251 415 I HN 0.555 nan 8.210 nan 0.000 0.424 416 S N 3.090 118.773 115.700 -0.028 0.000 2.638 416 S HA 0.976 5.454 4.470 0.014 0.000 0.274 416 S C 0.068 174.510 174.600 -0.264 0.000 1.157 416 S CA -0.187 57.953 58.200 -0.100 0.000 0.826 416 S CB 1.232 64.435 63.200 0.005 0.000 1.139 416 S HN 2.195 nan 8.310 nan 0.000 0.474 417 G N 1.459 109.971 108.800 -0.481 0.000 2.562 417 G HA2 -0.222 3.746 3.960 0.014 0.000 0.250 417 G HA3 -0.222 3.746 3.960 0.014 0.000 0.250 417 G C 0.484 174.954 174.900 -0.717 0.000 1.269 417 G CA 0.385 45.186 45.100 -0.498 0.000 0.919 417 G HN 0.825 nan 8.290 nan 0.000 0.574 418 E N 0.180 120.279 120.200 -0.169 0.000 2.147 418 E HA -0.238 4.120 4.350 0.014 0.000 0.199 418 E C 2.349 178.909 176.600 -0.066 0.000 1.005 418 E CA 1.738 58.156 56.400 0.030 0.000 0.810 418 E CB -0.188 29.556 29.700 0.075 0.000 0.736 418 E HN 0.591 nan 8.360 nan 0.000 0.460 419 K N 0.698 121.020 120.400 -0.130 0.000 2.057 419 K HA -0.152 4.176 4.320 0.014 0.000 0.206 419 K C 2.296 178.825 176.600 -0.119 0.000 1.050 419 K CA 0.771 57.005 56.287 -0.089 0.000 0.935 419 K CB -0.123 32.335 32.500 -0.069 0.000 0.715 419 K HN 0.022 nan 8.250 nan 0.000 0.439 420 L N 0.764 121.835 121.223 -0.254 0.000 2.056 420 L HA -0.061 4.287 4.340 0.014 0.000 0.207 420 L C 1.685 178.470 176.870 -0.143 0.000 1.078 420 L CA 1.644 56.339 54.840 -0.241 0.000 0.749 420 L CB -0.459 41.391 42.059 -0.349 0.000 0.901 420 L HN 0.211 nan 8.230 nan 0.000 0.433 421 F N -0.449 119.493 119.950 -0.014 0.000 2.451 421 F HA -0.101 4.434 4.527 0.013 0.000 0.299 421 F C 2.182 177.962 175.800 -0.034 0.000 1.101 421 F CA 0.391 58.375 58.000 -0.027 0.000 1.436 421 F CB -0.336 38.657 39.000 -0.011 0.000 1.074 421 F HN 0.052 nan 8.300 nan 0.000 0.553 422 K N 0.152 120.614 120.400 0.104 0.000 2.228 422 K HA -0.043 4.285 4.320 0.014 0.000 0.202 422 K C 0.655 177.262 176.600 0.012 0.000 1.051 422 K CA 0.467 56.786 56.287 0.054 0.000 0.960 422 K CB -0.027 32.494 32.500 0.034 0.000 0.743 422 K HN 0.146 nan 8.250 nan 0.000 0.458 423 E N 1.483 121.662 120.200 -0.035 0.000 2.392 423 E HA 0.023 4.381 4.350 0.014 0.000 0.259 423 E C -2.157 174.345 176.600 -0.163 0.000 1.108 423 E CA -1.758 54.566 56.400 -0.128 0.000 0.916 423 E CB 0.201 29.734 29.700 -0.277 0.000 0.989 423 E HN 0.016 nan 8.360 nan 0.000 0.432 424 P HA 0.031 nan 4.420 nan 0.000 0.218 424 P C 0.486 177.667 177.300 -0.199 0.000 1.793 424 P CA 0.219 63.243 63.100 -0.126 0.000 0.941 424 P CB -0.346 31.336 31.700 -0.030 0.000 1.919 425 V N -2.484 117.295 119.914 -0.225 0.000 3.346 425 V HA 0.069 4.197 4.120 0.014 0.000 0.309 425 V C 1.871 177.911 176.094 -0.089 0.000 1.457 425 V CA 0.652 62.830 62.300 -0.204 0.000 1.069 425 V CB -0.715 30.921 31.823 -0.312 0.000 0.944 425 V HN 0.189 nan 8.190 nan 0.000 0.449 426 T N -0.912 113.610 114.554 -0.054 0.000 2.746 426 T HA -0.099 4.259 4.350 0.014 0.000 0.267 426 T C 2.061 176.740 174.700 -0.035 0.000 1.039 426 T CA 1.907 63.992 62.100 -0.025 0.000 1.142 426 T CB -0.583 68.273 68.868 -0.019 0.000 0.866 426 T HN 0.873 nan 8.240 nan 0.000 0.444 427 A N 2.132 124.931 122.820 -0.035 0.000 1.892 427 A HA -0.175 4.153 4.320 0.014 0.000 0.218 427 A C 2.297 179.853 177.584 -0.046 0.000 1.188 427 A CA 2.095 54.111 52.037 -0.034 0.000 0.631 427 A CB -0.894 18.091 19.000 -0.025 0.000 0.822 427 A HN 0.561 nan 8.150 nan 0.000 0.447 428 E N -0.113 120.051 120.200 -0.059 0.000 2.106 428 E HA -0.045 4.313 4.350 0.014 0.000 0.192 428 E C 1.948 178.505 176.600 -0.071 0.000 0.984 428 E CA 0.828 57.179 56.400 -0.081 0.000 0.806 428 E CB -0.295 29.345 29.700 -0.099 0.000 0.750 428 E HN 0.638 nan 8.360 nan 0.000 0.458 429 L N -0.212 120.982 121.223 -0.048 0.000 2.056 429 L HA -0.209 4.139 4.340 0.014 0.000 0.207 429 L C 2.265 179.118 176.870 -0.028 0.000 1.078 429 L CA 0.811 55.637 54.840 -0.024 0.000 0.749 429 L CB -0.409 41.663 42.059 0.021 0.000 0.901 429 L HN 0.297 nan 8.230 nan 0.000 0.433 430 C N -0.223 119.056 119.300 -0.035 0.000 2.432 430 C HA -0.163 4.305 4.460 0.014 0.000 0.277 430 C C 2.788 177.757 174.990 -0.035 0.000 1.249 430 C CA 1.010 60.006 59.018 -0.037 0.000 1.725 430 C CB -0.570 27.146 27.740 -0.039 0.000 2.028 430 C HN 0.539 nan 8.230 nan 0.000 0.477 431 E N 0.805 120.979 120.200 -0.042 0.000 2.051 431 E HA -0.210 4.148 4.350 0.014 0.000 0.192 431 E C 2.127 178.701 176.600 -0.043 0.000 0.991 431 E CA 1.473 57.846 56.400 -0.045 0.000 0.799 431 E CB -0.501 29.163 29.700 -0.059 0.000 0.748 431 E HN 0.562 nan 8.360 nan 0.000 0.449 432 M N -0.676 118.895 119.600 -0.049 0.000 2.080 432 M HA -0.149 4.339 4.480 0.014 0.000 0.260 432 M C 1.803 178.094 176.300 -0.015 0.000 1.068 432 M CA 1.685 56.961 55.300 -0.040 0.000 1.109 432 M CB -0.014 32.557 32.600 -0.048 0.000 1.342 432 M HN 0.230 nan 8.290 nan 0.000 0.405 433 M N -1.098 118.495 119.600 -0.012 0.000 2.561 433 M HA 0.151 4.639 4.480 0.014 0.000 0.238 433 M C 0.976 177.273 176.300 -0.005 0.000 1.131 433 M CA 0.643 55.943 55.300 -0.000 0.000 1.046 433 M CB 0.039 32.640 32.600 0.001 0.000 1.532 433 M HN 0.535 nan 8.290 nan 0.000 0.497 434 G N 1.908 110.700 108.800 -0.012 0.000 2.273 434 G HA2 -0.200 3.768 3.960 0.014 0.000 0.280 434 G HA3 -0.200 3.768 3.960 0.014 0.000 0.280 434 G C -0.056 174.836 174.900 -0.014 0.000 1.047 434 G CA -0.262 44.831 45.100 -0.013 0.000 0.869 434 G HN 0.330 nan 8.290 nan 0.000 0.502 435 V N 0.283 120.185 119.914 -0.020 0.000 2.585 435 V HA 0.259 4.387 4.120 0.014 0.000 0.296 435 V C 1.058 177.137 176.094 -0.024 0.000 1.035 435 V CA 0.369 62.654 62.300 -0.025 0.000 1.084 435 V CB 1.153 32.955 31.823 -0.036 0.000 0.953 435 V HN 0.435 nan 8.190 nan 0.000 0.483 436 K N 3.037 123.424 120.400 -0.022 0.000 2.210 436 K HA 0.547 4.875 4.320 0.014 0.000 0.236 436 K C -0.661 175.924 176.600 -0.025 0.000 1.016 436 K CA -0.631 55.644 56.287 -0.020 0.000 0.913 436 K CB 0.999 33.490 32.500 -0.016 0.000 1.141 436 K HN 0.841 nan 8.250 nan 0.000 0.462 437 D N 0.000 120.386 120.400 -0.023 0.000 6.856 437 D HA 0.000 4.648 4.640 0.014 0.000 0.175 437 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 437 D CB 0.000 40.781 40.800 -0.031 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683