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 3ovs_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 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 K N 0.598 120.992 120.400 -0.010 0.000 2.863 2 K HA 0.322 4.650 4.320 0.013 0.000 0.304 2 K C 1.275 177.854 176.600 -0.035 0.000 1.015 2 K CA 0.299 56.569 56.287 -0.028 0.000 1.093 2 K CB 0.549 33.034 32.500 -0.025 0.000 1.345 2 K HN 0.106 nan 8.250 nan 0.000 0.500 3 V N 0.963 120.850 119.914 -0.045 0.000 2.223 3 V HA -0.288 3.840 4.120 0.013 0.000 0.246 3 V C 1.337 177.426 176.094 -0.007 0.000 1.045 3 V CA 1.976 64.244 62.300 -0.053 0.000 1.004 3 V CB -0.510 31.284 31.823 -0.049 0.000 0.641 3 V HN 0.697 nan 8.190 nan 0.000 0.457 4 E N -0.853 119.354 120.200 0.012 0.000 2.451 4 E HA 0.040 4.398 4.350 0.013 0.000 0.194 4 E C 1.781 178.404 176.600 0.038 0.000 1.027 4 E CA -0.227 56.199 56.400 0.044 0.000 0.914 4 E CB 0.220 29.939 29.700 0.031 0.000 1.054 4 E HN 0.581 nan 8.360 nan 0.000 0.461 5 E N 0.607 120.826 120.200 0.030 0.000 2.107 5 E HA -0.122 4.236 4.350 0.013 0.000 0.191 5 E C 1.891 178.512 176.600 0.035 0.000 0.982 5 E CA 0.708 57.122 56.400 0.022 0.000 0.809 5 E CB 0.205 29.914 29.700 0.015 0.000 0.756 5 E HN 0.317 nan 8.360 nan 0.000 0.459 6 I N 1.205 121.823 120.570 0.080 0.000 2.286 6 I HA -0.178 4.000 4.170 0.013 0.000 0.245 6 I C 2.559 178.700 176.117 0.040 0.000 1.104 6 I CA 0.794 62.163 61.300 0.116 0.000 1.397 6 I CB -1.194 36.969 38.000 0.272 0.000 1.072 6 I HN 0.072 nan 8.210 nan 0.000 0.417 7 L N 0.663 121.922 121.223 0.061 0.000 2.187 7 L HA -0.198 4.150 4.340 0.013 0.000 0.213 7 L C 2.672 179.460 176.870 -0.136 0.000 1.100 7 L CA 1.167 55.974 54.840 -0.056 0.000 0.765 7 L CB -0.635 41.461 42.059 0.061 0.000 0.904 7 L HN 0.298 nan 8.230 nan 0.000 0.437 8 E N 1.148 121.305 120.200 -0.072 0.000 2.017 8 E HA -0.210 4.149 4.350 0.013 0.000 0.193 8 E C 2.008 178.544 176.600 -0.106 0.000 0.997 8 E CA 1.304 57.658 56.400 -0.077 0.000 0.804 8 E CB -0.306 29.370 29.700 -0.041 0.000 0.757 8 E HN 0.569 nan 8.360 nan 0.000 0.448 9 K N 0.915 121.261 120.400 -0.090 0.000 2.360 9 K HA 0.027 4.355 4.320 0.013 0.000 0.201 9 K C 2.052 178.564 176.600 -0.146 0.000 1.046 9 K CA 0.984 57.220 56.287 -0.085 0.000 0.945 9 K CB -0.056 32.422 32.500 -0.037 0.000 0.750 9 K HN 0.056 nan 8.250 nan 0.000 0.464 10 A N 1.434 124.088 122.820 -0.277 0.000 1.935 10 A HA 0.034 4.362 4.320 0.013 0.000 0.214 10 A C 1.992 179.364 177.584 -0.353 0.000 1.178 10 A CA 0.503 52.260 52.037 -0.467 0.000 0.640 10 A CB -0.391 17.882 19.000 -1.212 0.000 0.825 10 A HN 0.150 nan 8.150 nan 0.000 0.447 11 L N 0.090 121.137 121.223 -0.293 0.000 2.447 11 L HA -0.195 4.153 4.340 0.013 0.000 0.225 11 L C 2.220 178.998 176.870 -0.152 0.000 1.148 11 L CA 0.953 55.666 54.840 -0.213 0.000 0.808 11 L CB -0.428 41.529 42.059 -0.170 0.000 0.928 11 L HN 0.503 nan 8.230 nan 0.000 0.448 12 E N 0.061 120.182 120.200 -0.131 0.000 2.107 12 E HA -0.145 4.213 4.350 0.013 0.000 0.191 12 E C 2.037 178.589 176.600 -0.079 0.000 0.982 12 E CA 0.947 57.293 56.400 -0.090 0.000 0.809 12 E CB -0.010 29.649 29.700 -0.068 0.000 0.756 12 E HN 0.539 nan 8.360 nan 0.000 0.459 13 L N 0.619 121.791 121.223 -0.084 0.000 2.558 13 L HA 0.014 4.362 4.340 0.013 0.000 0.225 13 L C 2.263 179.097 176.870 -0.060 0.000 1.128 13 L CA 0.030 54.839 54.840 -0.052 0.000 0.868 13 L CB -0.049 41.995 42.059 -0.024 0.000 1.006 13 L HN 0.084 nan 8.230 nan 0.000 0.454 14 V N -2.966 116.888 119.914 -0.100 0.000 2.690 14 V HA 0.197 4.325 4.120 0.013 0.000 0.240 14 V C 1.187 177.183 176.094 -0.165 0.000 1.078 14 V CA -0.017 62.214 62.300 -0.116 0.000 1.102 14 V CB -0.045 31.701 31.823 -0.128 0.000 0.800 14 V HN 0.083 nan 8.190 nan 0.000 0.479 15 I N 3.471 123.936 120.570 -0.176 0.000 2.471 15 I HA 0.325 4.503 4.170 0.013 0.000 0.286 15 I C -2.348 173.653 176.117 -0.192 0.000 1.079 15 I CA -1.664 59.503 61.300 -0.222 0.000 1.398 15 I CB 0.642 38.533 38.000 -0.182 0.000 1.403 15 I HN 0.198 nan 8.210 nan 0.000 0.530 16 P HA 0.073 nan 4.420 nan 0.000 0.275 16 P C -0.996 176.264 177.300 -0.065 0.000 1.227 16 P CA -0.445 62.578 63.100 -0.129 0.000 0.781 16 P CB 0.388 32.011 31.700 -0.129 0.000 0.906 17 D N 1.713 122.108 120.400 -0.007 0.000 2.368 17 D HA -0.043 4.605 4.640 0.013 0.000 0.240 17 D C 0.795 177.119 176.300 0.040 0.000 1.169 17 D CA -0.123 53.882 54.000 0.008 0.000 0.906 17 D CB 0.674 41.484 40.800 0.017 0.000 1.187 17 D HN 0.410 nan 8.370 nan 0.000 0.435 18 E N -0.154 120.067 120.200 0.034 0.000 2.160 18 E HA -0.204 4.154 4.350 0.013 0.000 0.195 18 E C 1.629 178.275 176.600 0.076 0.000 0.991 18 E CA 1.254 57.686 56.400 0.054 0.000 0.810 18 E CB 0.107 29.829 29.700 0.036 0.000 0.742 18 E HN 0.608 nan 8.360 nan 0.000 0.466 19 E N 0.700 120.939 120.200 0.065 0.000 2.358 19 E HA -0.168 4.190 4.350 0.013 0.000 0.195 19 E C 1.614 178.267 176.600 0.088 0.000 1.010 19 E CA 0.662 57.102 56.400 0.067 0.000 0.856 19 E CB -0.065 29.664 29.700 0.048 0.000 0.795 19 E HN 0.366 nan 8.360 nan 0.000 0.504 20 E N 1.276 121.545 120.200 0.115 0.000 2.122 20 E HA -0.066 4.292 4.350 0.013 0.000 0.190 20 E C 2.078 178.815 176.600 0.229 0.000 0.977 20 E CA 0.602 57.098 56.400 0.159 0.000 0.820 20 E CB 0.323 30.135 29.700 0.186 0.000 0.770 20 E HN 0.083 nan 8.360 nan 0.000 0.462 21 V N 1.218 121.291 119.914 0.265 0.000 2.407 21 V HA -0.221 3.907 4.120 0.013 0.000 0.248 21 V C 2.525 178.755 176.094 0.226 0.000 1.055 21 V CA 1.930 64.437 62.300 0.346 0.000 1.049 21 V CB -0.521 31.470 31.823 0.279 0.000 0.662 21 V HN 0.217 nan 8.190 nan 0.000 0.455 22 R N -0.297 120.291 120.500 0.146 0.000 2.115 22 R HA -0.080 4.268 4.340 0.013 0.000 0.226 22 R C 2.399 178.746 176.300 0.079 0.000 1.100 22 R CA 1.052 57.212 56.100 0.100 0.000 0.980 22 R CB -0.089 30.255 30.300 0.073 0.000 0.875 22 R HN 0.458 nan 8.270 nan 0.000 0.445 23 K N -1.106 119.340 120.400 0.077 0.000 2.148 23 K HA -0.053 4.275 4.320 0.013 0.000 0.204 23 K C 1.874 178.485 176.600 0.017 0.000 1.050 23 K CA 1.294 57.608 56.287 0.044 0.000 0.942 23 K CB -0.010 32.517 32.500 0.044 0.000 0.724 23 K HN 0.275 nan 8.250 nan 0.000 0.446 24 G N 0.811 109.630 108.800 0.032 0.000 2.464 24 G HA2 -0.152 3.816 3.960 0.013 0.000 0.217 24 G HA3 -0.152 3.816 3.960 0.013 0.000 0.217 24 G C 1.528 176.412 174.900 -0.027 0.000 1.138 24 G CA 0.001 45.058 45.100 -0.073 0.000 0.793 24 G HN 0.063 nan 8.290 nan 0.000 0.539 25 R N 0.730 121.291 120.500 0.102 0.000 2.073 25 R HA 0.027 4.375 4.340 0.013 0.000 0.229 25 R C 2.209 178.539 176.300 0.051 0.000 1.120 25 R CA 0.881 57.054 56.100 0.121 0.000 0.967 25 R CB -0.509 29.865 30.300 0.123 0.000 0.862 25 R HN 0.472 nan 8.270 nan 0.000 0.436 26 E N 0.192 120.413 120.200 0.034 0.000 2.409 26 E HA -0.045 4.313 4.350 0.013 0.000 0.198 26 E C 1.523 178.123 176.600 -0.001 0.000 1.024 26 E CA 0.720 57.130 56.400 0.018 0.000 0.861 26 E CB 0.146 29.857 29.700 0.019 0.000 0.788 26 E HN 0.281 nan 8.360 nan 0.000 0.521 27 A N 0.918 123.724 122.820 -0.024 0.000 1.997 27 A HA -0.079 4.250 4.320 0.013 0.000 0.212 27 A C 1.989 179.550 177.584 -0.039 0.000 1.178 27 A CA 0.437 52.446 52.037 -0.047 0.000 0.698 27 A CB -0.010 18.934 19.000 -0.094 0.000 0.842 27 A HN 0.154 nan 8.150 nan 0.000 0.458 28 E N 0.002 120.176 120.200 -0.044 0.000 2.051 28 E HA -0.251 4.107 4.350 0.013 0.000 0.192 28 E C 1.877 178.495 176.600 0.029 0.000 0.991 28 E CA 1.509 57.904 56.400 -0.009 0.000 0.799 28 E CB -0.065 29.658 29.700 0.039 0.000 0.748 28 E HN 0.555 nan 8.360 nan 0.000 0.449 29 E N 0.851 121.064 120.200 0.022 0.000 2.017 29 E HA -0.239 4.119 4.350 0.013 0.000 0.193 29 E C 1.841 178.459 176.600 0.031 0.000 0.997 29 E CA 1.649 58.066 56.400 0.028 0.000 0.804 29 E CB -0.221 29.492 29.700 0.022 0.000 0.757 29 E HN 0.162 nan 8.360 nan 0.000 0.448 30 E N -0.231 119.980 120.200 0.018 0.000 2.187 30 E HA -0.209 4.149 4.350 0.013 0.000 0.199 30 E C 1.800 178.406 176.600 0.009 0.000 1.004 30 E CA 1.005 57.410 56.400 0.009 0.000 0.813 30 E CB -0.398 29.302 29.700 -0.000 0.000 0.736 30 E HN 0.282 nan 8.360 nan 0.000 0.468 31 L N 0.378 121.623 121.223 0.037 0.000 2.109 31 L HA 0.015 4.363 4.340 0.013 0.000 0.207 31 L C 2.135 179.019 176.870 0.024 0.000 1.086 31 L CA 1.523 56.392 54.840 0.048 0.000 0.760 31 L CB -0.294 41.848 42.059 0.139 0.000 0.910 31 L HN 0.064 nan 8.230 nan 0.000 0.437 32 R N -0.839 119.710 120.500 0.083 0.000 2.075 32 R HA -0.112 4.236 4.340 0.013 0.000 0.232 32 R C 2.227 178.493 176.300 -0.057 0.000 1.126 32 R CA 1.364 57.488 56.100 0.040 0.000 0.963 32 R CB -0.439 29.961 30.300 0.166 0.000 0.858 32 R HN 0.348 nan 8.270 nan 0.000 0.435 33 R N 0.510 120.999 120.500 -0.018 0.000 2.115 33 R HA -0.049 4.300 4.340 0.013 0.000 0.230 33 R C 2.319 178.587 176.300 -0.053 0.000 1.111 33 R CA 1.189 57.275 56.100 -0.024 0.000 0.976 33 R CB -0.148 30.148 30.300 -0.007 0.000 0.870 33 R HN 0.205 nan 8.270 nan 0.000 0.445 34 R N 0.203 120.661 120.500 -0.070 0.000 2.093 34 R HA 0.029 4.377 4.340 0.013 0.000 0.224 34 R C 2.221 178.445 176.300 -0.127 0.000 1.101 34 R CA 0.837 56.888 56.100 -0.081 0.000 0.979 34 R CB -0.177 30.082 30.300 -0.069 0.000 0.877 34 R HN 0.158 nan 8.270 nan 0.000 0.441 35 L N 0.657 121.755 121.223 -0.209 0.000 2.072 35 L HA -0.161 4.187 4.340 0.013 0.000 0.205 35 L C 1.618 178.332 176.870 -0.260 0.000 1.079 35 L CA 1.141 55.792 54.840 -0.316 0.000 0.752 35 L CB -0.230 41.448 42.059 -0.634 0.000 0.906 35 L HN 0.138 nan 8.230 nan 0.000 0.436 36 D N -0.512 119.759 120.400 -0.215 0.000 2.149 36 D HA -0.197 4.451 4.640 0.013 0.000 0.201 36 D C 1.957 178.224 176.300 -0.055 0.000 0.972 36 D CA 0.923 54.869 54.000 -0.091 0.000 0.835 36 D CB 0.027 40.814 40.800 -0.022 0.000 0.966 36 D HN 0.256 nan 8.370 nan 0.000 0.476 37 E N 0.996 121.160 120.200 -0.060 0.000 2.130 37 E HA -0.157 4.202 4.350 0.013 0.000 0.196 37 E C 1.762 178.335 176.600 -0.045 0.000 0.998 37 E CA 0.996 57.370 56.400 -0.043 0.000 0.806 37 E CB -0.348 29.327 29.700 -0.042 0.000 0.738 37 E HN 0.276 nan 8.360 nan 0.000 0.459 38 L N -1.109 120.073 121.223 -0.067 0.000 2.592 38 L HA 0.291 4.639 4.340 0.013 0.000 0.227 38 L C 1.572 178.407 176.870 -0.057 0.000 1.127 38 L CA 0.094 54.896 54.840 -0.064 0.000 0.884 38 L CB -0.321 41.688 42.059 -0.083 0.000 1.065 38 L HN 0.472 nan 8.230 nan 0.000 0.457 39 G N 0.155 108.925 108.800 -0.049 0.000 3.127 39 G HA2 -0.331 3.637 3.960 0.013 0.000 0.280 39 G HA3 -0.331 3.637 3.960 0.013 0.000 0.280 39 G C 0.288 175.169 174.900 -0.032 0.000 1.491 39 G CA -0.258 44.826 45.100 -0.027 0.000 1.029 39 G HN 0.086 nan 8.290 nan 0.000 0.582 40 V N 0.982 120.864 119.914 -0.054 0.000 3.825 40 V HA -0.166 3.962 4.120 0.013 0.000 0.521 40 V C 0.645 176.749 176.094 0.016 0.000 0.682 40 V CA 1.731 63.976 62.300 -0.091 0.000 2.054 40 V CB -0.610 31.119 31.823 -0.156 0.000 2.452 40 V HN 0.893 nan 8.190 nan 0.000 0.514 41 E N 4.588 124.777 120.200 -0.018 0.000 2.344 41 E HA 0.484 4.843 4.350 0.013 0.000 0.270 41 E C -0.365 176.290 176.600 0.092 0.000 1.021 41 E CA -0.109 56.326 56.400 0.057 0.000 0.887 41 E CB 0.881 30.561 29.700 -0.034 0.000 0.997 41 E HN 0.765 nan 8.360 nan 0.000 0.429 42 Y N -0.683 119.563 120.300 -0.091 0.000 2.362 42 Y HA 0.537 5.095 4.550 0.013 0.000 0.326 42 Y C -1.273 174.604 175.900 -0.039 0.000 1.083 42 Y CA -1.302 56.734 58.100 -0.106 0.000 1.073 42 Y CB 0.775 39.148 38.460 -0.145 0.000 1.211 42 Y HN 0.253 nan 8.280 nan 0.000 0.433 43 V N 5.777 125.640 119.914 -0.084 0.000 2.483 43 V HA 0.513 4.641 4.120 0.013 0.000 0.295 43 V C -1.144 174.910 176.094 -0.066 0.000 1.035 43 V CA -0.860 61.391 62.300 -0.082 0.000 0.896 43 V CB 1.073 32.878 31.823 -0.031 0.000 0.986 43 V HN 0.731 nan 8.190 nan 0.000 0.447 44 F N 6.370 126.290 119.950 -0.050 0.000 2.420 44 F HA 0.578 5.113 4.527 0.013 0.000 0.352 44 F C 0.527 176.165 175.800 -0.271 0.000 1.108 44 F CA 0.261 58.236 58.000 -0.040 0.000 1.162 44 F CB 1.541 40.548 39.000 0.012 0.000 1.118 44 F HN 0.538 nan 8.300 nan 0.000 0.510 45 V N 0.683 120.514 119.914 -0.139 0.000 3.119 45 V HA 1.055 5.183 4.120 0.013 0.000 0.309 45 V C 0.304 176.311 176.094 -0.145 0.000 1.304 45 V CA -0.386 61.665 62.300 -0.415 0.000 1.057 45 V CB 0.879 32.410 31.823 -0.487 0.000 1.150 45 V HN 1.204 nan 8.190 nan 0.000 0.474 46 G N 0.057 108.800 108.800 -0.095 0.000 2.632 46 G HA2 -0.156 3.812 3.960 0.013 0.000 0.224 46 G HA3 -0.156 3.812 3.960 0.013 0.000 0.224 46 G C 0.762 175.751 174.900 0.148 0.000 1.341 46 G CA 0.910 46.046 45.100 0.061 0.000 0.880 46 G HN 1.922 nan 8.290 nan 0.000 0.566 47 S N -1.659 114.168 115.700 0.211 0.000 2.371 47 S HA -0.060 4.418 4.470 0.013 0.000 0.224 47 S C 2.017 176.828 174.600 0.351 0.000 1.029 47 S CA 2.095 60.472 58.200 0.294 0.000 0.978 47 S CB -0.398 63.009 63.200 0.344 0.000 0.833 47 S HN 1.025 nan 8.310 nan 0.000 0.466 48 Y N 2.083 122.450 120.300 0.112 0.000 2.224 48 Y HA 0.111 4.669 4.550 0.013 0.000 0.289 48 Y C 2.130 178.083 175.900 0.088 0.000 1.146 48 Y CA 1.118 59.191 58.100 -0.046 0.000 1.182 48 Y CB -0.682 37.597 38.460 -0.303 0.000 0.983 48 Y HN 0.303 nan 8.280 nan 0.000 0.524 49 A N -0.021 122.845 122.820 0.076 0.000 2.239 49 A HA 0.061 4.389 4.320 0.013 0.000 0.209 49 A C 1.830 179.477 177.584 0.104 0.000 1.171 49 A CA 0.748 52.785 52.037 0.000 0.000 0.768 49 A CB -0.369 18.606 19.000 -0.041 0.000 0.790 49 A HN 0.555 nan 8.150 nan 0.000 0.478 50 R N -1.446 119.143 120.500 0.149 0.000 2.541 50 R HA 0.125 4.473 4.340 0.013 0.000 0.332 50 R C -0.407 175.990 176.300 0.162 0.000 0.951 50 R CA -0.126 56.083 56.100 0.182 0.000 1.136 50 R CB 0.411 30.852 30.300 0.235 0.000 1.449 50 R HN 0.373 nan 8.270 nan 0.000 0.531 51 N N 1.438 120.279 118.700 0.234 0.000 2.758 51 N HA -0.118 4.630 4.740 0.013 0.000 0.248 51 N C -0.224 175.342 175.510 0.094 0.000 1.076 51 N CA 1.741 54.925 53.050 0.224 0.000 0.696 51 N CB -1.219 37.300 38.487 0.053 0.000 0.979 51 N HN 0.458 nan 8.380 nan 0.000 0.550 52 T N -3.946 110.766 114.554 0.262 0.000 3.339 52 T HA 0.327 4.685 4.350 0.013 0.000 0.292 52 T C 0.164 174.995 174.700 0.218 0.000 1.012 52 T CA -0.756 61.435 62.100 0.151 0.000 0.937 52 T CB -0.553 68.419 68.868 0.174 0.000 1.164 52 T HN 0.397 nan 8.240 nan 0.000 0.509 53 W N 0.963 122.316 121.300 0.088 0.000 2.448 53 W HA 0.806 5.474 4.660 0.014 0.000 0.339 53 W C -0.664 175.886 176.519 0.051 0.000 1.124 53 W CA -1.797 55.604 57.345 0.094 0.000 1.262 53 W CB 0.505 30.052 29.460 0.144 0.000 1.251 53 W HN -0.015 nan 8.180 nan 0.000 0.597 54 L N 3.282 124.588 121.223 0.138 0.000 2.464 54 L HA 0.184 4.532 4.340 0.013 0.000 0.264 54 L C 0.880 177.768 176.870 0.030 0.000 1.199 54 L CA -0.343 54.497 54.840 -0.000 0.000 0.818 54 L CB 0.581 42.647 42.059 0.012 0.000 1.102 54 L HN 0.634 nan 8.230 nan 0.000 0.473 55 K N 2.322 122.699 120.400 -0.038 0.000 2.163 55 K HA 0.283 4.611 4.320 0.013 0.000 0.267 55 K C 0.639 177.294 176.600 0.093 0.000 1.098 55 K CA 0.993 57.288 56.287 0.015 0.000 1.062 55 K CB -0.743 31.743 32.500 -0.024 0.000 1.033 55 K HN 0.844 nan 8.250 nan 0.000 0.396 56 G N 1.691 110.601 108.800 0.183 0.000 2.336 56 G HA2 -0.192 3.776 3.960 0.013 0.000 0.194 56 G HA3 -0.192 3.776 3.960 0.013 0.000 0.194 56 G C 0.239 175.256 174.900 0.195 0.000 0.999 56 G CA -0.167 45.032 45.100 0.164 0.000 0.669 56 G HN 0.469 nan 8.290 nan 0.000 0.482 57 S N 0.880 116.741 115.700 0.268 0.000 2.849 57 S HA 0.410 4.888 4.470 0.013 0.000 0.244 57 S C 0.222 174.993 174.600 0.285 0.000 1.297 57 S CA -0.264 58.094 58.200 0.264 0.000 1.241 57 S CB 0.326 63.680 63.200 0.256 0.000 0.958 57 S HN 0.588 nan 8.310 nan 0.000 0.489 58 L N 3.082 124.414 121.223 0.183 0.000 2.454 58 L HA 0.358 4.706 4.340 0.013 0.000 0.284 58 L C 0.106 176.908 176.870 -0.113 0.000 1.139 58 L CA 0.709 55.494 54.840 -0.091 0.000 0.911 58 L CB -0.181 41.862 42.059 -0.026 0.000 1.262 58 L HN 0.229 nan 8.230 nan 0.000 0.453 59 E N 4.689 124.796 120.200 -0.156 0.000 2.314 59 E HA 0.448 4.806 4.350 0.013 0.000 0.272 59 E C -1.391 175.132 176.600 -0.128 0.000 0.884 59 E CA -0.730 55.628 56.400 -0.070 0.000 0.753 59 E CB 1.783 31.524 29.700 0.070 0.000 1.213 59 E HN 0.552 nan 8.360 nan 0.000 0.432 60 I N 3.166 123.670 120.570 -0.109 0.000 2.362 60 I HA 0.276 4.454 4.170 0.013 0.000 0.289 60 I C -0.620 175.544 176.117 0.079 0.000 0.994 60 I CA -0.725 60.532 61.300 -0.072 0.000 1.158 60 I CB 1.404 39.297 38.000 -0.178 0.000 1.315 60 I HN 0.235 nan 8.210 nan 0.000 0.451 61 D N 6.935 127.430 120.400 0.158 0.000 2.280 61 D HA 0.387 5.035 4.640 0.013 0.000 0.236 61 D C -0.608 175.766 176.300 0.123 0.000 1.082 61 D CA -0.149 53.950 54.000 0.166 0.000 0.834 61 D CB 2.769 43.680 40.800 0.185 0.000 1.100 61 D HN 0.085 nan 8.370 nan 0.000 0.486 62 V N 2.902 122.837 119.914 0.034 0.000 2.487 62 V HA 0.403 4.531 4.120 0.013 0.000 0.298 62 V C -0.578 175.556 176.094 0.066 0.000 1.028 62 V CA -0.836 61.353 62.300 -0.186 0.000 0.860 62 V CB 1.439 33.040 31.823 -0.371 0.000 0.991 62 V HN 0.316 nan 8.190 nan 0.000 0.427 63 F N 4.278 124.110 119.950 -0.196 0.000 2.458 63 F HA 0.637 5.172 4.527 0.014 0.000 0.336 63 F C 0.019 175.765 175.800 -0.090 0.000 1.114 63 F CA -0.906 57.037 58.000 -0.096 0.000 0.987 63 F CB 1.773 40.736 39.000 -0.063 0.000 1.130 63 F HN 0.247 nan 8.300 nan 0.000 0.458 64 L N 5.350 126.553 121.223 -0.034 0.000 2.275 64 L HA 0.422 4.770 4.340 0.013 0.000 0.288 64 L C -0.710 176.083 176.870 -0.127 0.000 1.046 64 L CA -0.596 54.166 54.840 -0.130 0.000 0.805 64 L CB 0.946 42.893 42.059 -0.187 0.000 1.193 64 L HN 0.426 nan 8.230 nan 0.000 0.426 65 L N 4.347 125.454 121.223 -0.193 0.000 2.259 65 L HA 0.402 4.750 4.340 0.013 0.000 0.288 65 L C -0.593 176.142 176.870 -0.226 0.000 1.051 65 L CA -0.066 54.720 54.840 -0.089 0.000 0.824 65 L CB 0.258 42.313 42.059 -0.007 0.000 1.206 65 L HN 0.374 nan 8.230 nan 0.000 0.429 66 F N 3.825 123.753 119.950 -0.036 0.000 2.404 66 F HA 0.448 4.982 4.527 0.013 0.000 0.339 66 F C -1.748 174.144 175.800 0.154 0.000 1.105 66 F CA -2.380 55.607 58.000 -0.021 0.000 1.087 66 F CB 0.817 39.710 39.000 -0.179 0.000 1.143 66 F HN 0.280 nan 8.300 nan 0.000 0.491 67 P HA 0.013 nan 4.420 nan 0.000 0.266 67 P C 0.510 178.092 177.300 0.470 0.000 1.195 67 P CA 0.124 63.443 63.100 0.365 0.000 0.768 67 P CB 0.610 32.501 31.700 0.317 0.000 0.838 68 E N 1.335 121.752 120.200 0.361 0.000 2.267 68 E HA -0.239 4.119 4.350 0.013 0.000 0.197 68 E C 1.313 178.035 176.600 0.204 0.000 0.998 68 E CA 1.163 57.725 56.400 0.271 0.000 0.830 68 E CB 0.055 29.796 29.700 0.067 0.000 0.751 68 E HN 0.543 nan 8.360 nan 0.000 0.491 69 E N 0.113 120.408 120.200 0.159 0.000 2.086 69 E HA -0.177 4.181 4.350 0.013 0.000 0.205 69 E C 0.104 176.695 176.600 -0.016 0.000 1.027 69 E CA 1.040 57.450 56.400 0.016 0.000 0.830 69 E CB -0.207 29.446 29.700 -0.078 0.000 0.751 69 E HN 0.117 nan 8.360 nan 0.000 0.456 70 F N 1.279 121.319 119.950 0.150 0.000 2.543 70 F HA -0.002 4.533 4.527 0.013 0.000 0.375 70 F C 1.162 177.058 175.800 0.159 0.000 1.075 70 F CA -0.355 57.714 58.000 0.114 0.000 1.225 70 F CB 0.452 39.494 39.000 0.069 0.000 1.099 70 F HN -0.088 nan 8.300 nan 0.000 0.561 71 S N 3.311 119.153 115.700 0.238 0.000 2.634 71 S HA 0.160 4.638 4.470 0.013 0.000 0.261 71 S C 1.386 176.105 174.600 0.198 0.000 1.271 71 S CA -0.851 57.457 58.200 0.179 0.000 0.985 71 S CB 1.000 64.251 63.200 0.086 0.000 0.968 71 S HN 0.655 nan 8.310 nan 0.000 0.568 72 K N 0.813 121.313 120.400 0.167 0.000 2.103 72 K HA -0.158 4.170 4.320 0.013 0.000 0.207 72 K C 1.802 178.414 176.600 0.019 0.000 1.048 72 K CA 2.082 58.450 56.287 0.135 0.000 0.930 72 K CB -0.619 31.946 32.500 0.108 0.000 0.716 72 K HN 0.781 nan 8.250 nan 0.000 0.444 73 E N 0.186 120.396 120.200 0.018 0.000 2.112 73 E HA -0.074 4.284 4.350 0.013 0.000 0.190 73 E C 1.876 178.449 176.600 -0.045 0.000 0.979 73 E CA 0.693 57.083 56.400 -0.017 0.000 0.814 73 E CB -0.029 29.674 29.700 0.005 0.000 0.762 73 E HN 0.285 nan 8.360 nan 0.000 0.460 74 E N 0.711 120.912 120.200 0.002 0.000 2.106 74 E HA -0.165 4.193 4.350 0.013 0.000 0.192 74 E C 2.180 178.647 176.600 -0.221 0.000 0.984 74 E CA 0.620 57.028 56.400 0.013 0.000 0.806 74 E CB -0.242 29.628 29.700 0.284 0.000 0.750 74 E HN 0.195 nan 8.360 nan 0.000 0.458 75 L N 2.218 123.267 121.223 -0.290 0.000 1.971 75 L HA -0.266 4.082 4.340 0.013 0.000 0.215 75 L C 2.567 179.013 176.870 -0.707 0.000 1.072 75 L CA 2.380 56.808 54.840 -0.687 0.000 0.758 75 L CB -0.329 41.424 42.059 -0.510 0.000 0.889 75 L HN 0.017 nan 8.230 nan 0.000 0.433 76 R N -1.154 119.095 120.500 -0.417 0.000 2.090 76 R HA -0.066 4.282 4.340 0.013 0.000 0.228 76 R C 1.976 178.113 176.300 -0.272 0.000 1.110 76 R CA 1.330 57.220 56.100 -0.350 0.000 0.973 76 R CB -0.986 29.147 30.300 -0.279 0.000 0.869 76 R HN 0.423 nan 8.270 nan 0.000 0.440 77 E N 0.824 120.890 120.200 -0.224 0.000 2.077 77 E HA -0.108 4.250 4.350 0.013 0.000 0.193 77 E C 2.070 178.564 176.600 -0.177 0.000 0.989 77 E CA 0.958 57.263 56.400 -0.160 0.000 0.800 77 E CB -0.019 29.616 29.700 -0.108 0.000 0.746 77 E HN 0.340 nan 8.360 nan 0.000 0.452 78 R N -0.141 120.205 120.500 -0.258 0.000 2.119 78 R HA -0.009 4.339 4.340 0.013 0.000 0.222 78 R C 2.364 178.628 176.300 -0.059 0.000 1.088 78 R CA 0.990 56.980 56.100 -0.183 0.000 0.984 78 R CB -0.966 29.182 30.300 -0.254 0.000 0.884 78 R HN 0.209 nan 8.270 nan 0.000 0.447 79 G N 1.057 109.760 108.800 -0.161 0.000 2.422 79 G HA2 -0.188 3.780 3.960 0.013 0.000 0.218 79 G HA3 -0.188 3.780 3.960 0.013 0.000 0.218 79 G C 1.398 176.247 174.900 -0.086 0.000 1.140 79 G CA 0.188 45.282 45.100 -0.010 0.000 0.775 79 G HN 0.115 nan 8.290 nan 0.000 0.545 80 L N 0.335 121.472 121.223 -0.143 0.000 2.068 80 L HA 0.128 4.476 4.340 0.013 0.000 0.204 80 L C 2.626 179.392 176.870 -0.173 0.000 1.076 80 L CA 1.658 56.404 54.840 -0.156 0.000 0.753 80 L CB -0.501 41.473 42.059 -0.141 0.000 0.910 80 L HN 0.334 nan 8.230 nan 0.000 0.439 81 E N -0.310 119.807 120.200 -0.139 0.000 2.110 81 E HA -0.235 4.123 4.350 0.013 0.000 0.193 81 E C 2.300 178.825 176.600 -0.125 0.000 0.988 81 E CA 1.390 57.712 56.400 -0.131 0.000 0.804 81 E CB -0.065 29.579 29.700 -0.093 0.000 0.745 81 E HN 0.499 nan 8.360 nan 0.000 0.458 82 I N 0.334 120.848 120.570 -0.094 0.000 2.163 82 I HA -0.172 4.006 4.170 0.013 0.000 0.240 82 I C 2.581 178.626 176.117 -0.119 0.000 1.081 82 I CA 1.185 62.431 61.300 -0.090 0.000 1.353 82 I CB -0.526 37.439 38.000 -0.059 0.000 1.054 82 I HN 0.205 nan 8.210 nan 0.000 0.407 83 G N 0.664 109.386 108.800 -0.129 0.000 2.442 83 G HA2 -0.246 3.722 3.960 0.013 0.000 0.219 83 G HA3 -0.246 3.722 3.960 0.013 0.000 0.219 83 G C 1.733 176.509 174.900 -0.207 0.000 1.141 83 G CA 0.702 45.716 45.100 -0.144 0.000 0.763 83 G HN 0.309 nan 8.290 nan 0.000 0.554 84 K N 0.283 120.489 120.400 -0.324 0.000 2.155 84 K HA 0.206 4.534 4.320 0.013 0.000 0.203 84 K C 1.868 178.327 176.600 -0.235 0.000 1.052 84 K CA 0.779 56.744 56.287 -0.536 0.000 0.948 84 K CB 0.083 32.141 32.500 -0.738 0.000 0.728 84 K HN 0.240 nan 8.250 nan 0.000 0.448 85 A N 0.667 123.395 122.820 -0.154 0.000 3.012 85 A HA 0.278 4.606 4.320 0.013 0.000 0.295 85 A C 0.578 178.119 177.584 -0.071 0.000 1.338 85 A CA -0.162 51.826 52.037 -0.083 0.000 0.981 85 A CB 0.310 19.266 19.000 -0.075 0.000 1.091 85 A HN 0.076 nan 8.150 nan 0.000 0.602 86 V N -1.208 118.666 119.914 -0.067 0.000 3.331 86 V HA 0.190 4.318 4.120 0.013 0.000 0.259 86 V C -0.301 175.769 176.094 -0.040 0.000 1.735 86 V CA 0.293 62.555 62.300 -0.064 0.000 1.032 86 V CB 0.129 31.895 31.823 -0.093 0.000 0.892 86 V HN 0.497 nan 8.190 nan 0.000 0.384 87 L N 0.572 121.784 121.223 -0.018 0.000 2.334 87 L HA 0.560 4.908 4.340 0.013 0.000 0.276 87 L C 0.906 177.810 176.870 0.055 0.000 1.014 87 L CA -0.720 54.127 54.840 0.011 0.000 0.815 87 L CB 1.389 43.459 42.059 0.019 0.000 1.268 87 L HN 0.031 nan 8.230 nan 0.000 0.428 88 D N 0.884 121.298 120.400 0.023 0.000 2.106 88 D HA -0.107 4.541 4.640 0.013 0.000 0.194 88 D C 0.940 177.258 176.300 0.031 0.000 0.988 88 D CA 1.589 55.601 54.000 0.019 0.000 0.845 88 D CB -0.007 40.789 40.800 -0.007 0.000 0.990 88 D HN 0.614 nan 8.370 nan 0.000 0.448 89 S N -0.804 114.893 115.700 -0.004 0.000 2.681 89 S HA 0.587 5.065 4.470 0.013 0.000 0.299 89 S C -0.659 173.946 174.600 0.007 0.000 1.113 89 S CA -0.879 57.282 58.200 -0.065 0.000 1.013 89 S CB 1.748 64.882 63.200 -0.111 0.000 1.076 89 S HN 0.336 nan 8.310 nan 0.000 0.534 90 Y N -1.527 118.746 120.300 -0.046 0.000 2.588 90 Y HA 0.794 5.352 4.550 0.013 0.000 0.343 90 Y C -0.913 174.973 175.900 -0.023 0.000 1.065 90 Y CA -1.100 56.970 58.100 -0.050 0.000 1.038 90 Y CB 1.289 39.719 38.460 -0.050 0.000 1.297 90 Y HN 0.867 nan 8.280 nan 0.000 0.467 91 E N 2.446 122.769 120.200 0.205 0.000 2.241 91 E HA 0.578 4.936 4.350 0.013 0.000 0.263 91 E C -2.105 174.564 176.600 0.115 0.000 0.882 91 E CA -0.755 55.731 56.400 0.142 0.000 0.769 91 E CB 1.488 31.274 29.700 0.143 0.000 1.185 91 E HN 0.755 nan 8.360 nan 0.000 0.415 92 I N 4.342 124.970 120.570 0.096 0.000 2.330 92 I HA 0.454 4.633 4.170 0.013 0.000 0.289 92 I C -0.370 175.728 176.117 -0.031 0.000 1.001 92 I CA -0.241 61.070 61.300 0.019 0.000 1.193 92 I CB 1.383 39.425 38.000 0.069 0.000 1.345 92 I HN 0.447 nan 8.210 nan 0.000 0.461 93 R N 6.170 126.624 120.500 -0.077 0.000 2.792 93 R HA 0.436 4.784 4.340 0.013 0.000 0.285 93 R C -1.922 174.375 176.300 -0.004 0.000 1.207 93 R CA -0.603 55.435 56.100 -0.104 0.000 1.091 93 R CB 0.874 31.144 30.300 -0.051 0.000 1.263 93 R HN 0.588 nan 8.270 nan 0.000 0.403 94 Y N 0.579 120.876 120.300 -0.005 0.000 2.655 94 Y HA 0.793 5.351 4.550 0.013 0.000 0.336 94 Y C -0.208 175.762 175.900 0.116 0.000 1.154 94 Y CA -0.540 57.638 58.100 0.129 0.000 1.055 94 Y CB 1.096 39.676 38.460 0.200 0.000 1.295 94 Y HN 0.300 nan 8.280 nan 0.000 0.465 95 A N 0.335 123.377 122.820 0.369 0.000 1.942 95 A HA 0.207 4.535 4.320 0.013 0.000 0.209 95 A C 1.365 179.100 177.584 0.252 0.000 1.214 95 A CA 1.482 53.654 52.037 0.226 0.000 0.686 95 A CB -0.391 18.738 19.000 0.214 0.000 0.871 95 A HN 0.937 nan 8.150 nan 0.000 0.460 96 E N -2.701 117.719 120.200 0.366 0.000 2.783 96 E HA 0.082 4.440 4.350 0.013 0.000 0.205 96 E C 0.470 177.259 176.600 0.315 0.000 0.955 96 E CA -0.147 56.438 56.400 0.309 0.000 1.594 96 E CB -0.194 29.629 29.700 0.205 0.000 1.686 96 E HN 0.355 nan 8.360 nan 0.000 0.902 97 H N 2.921 122.085 119.070 0.158 0.000 2.556 97 H HA 0.344 4.908 4.556 0.014 0.000 0.310 97 H C -2.251 172.823 175.328 -0.423 0.000 1.057 97 H CA -2.338 53.669 56.048 -0.069 0.000 1.264 97 H CB 1.353 31.093 29.762 -0.037 0.000 1.404 97 H HN 0.102 nan 8.280 nan 0.000 0.462 98 P HA 0.008 nan 4.420 nan 0.000 0.264 98 P C -1.250 175.700 177.300 -0.583 0.000 1.193 98 P CA 0.512 62.691 63.100 -1.536 0.000 0.763 98 P CB 0.083 31.230 31.700 -0.923 0.000 0.810 99 Y N 0.350 120.325 120.300 -0.540 0.000 2.604 99 Y HA 0.534 5.092 4.550 0.014 0.000 0.331 99 Y C -1.647 174.233 175.900 -0.034 0.000 1.158 99 Y CA -1.453 56.525 58.100 -0.202 0.000 1.056 99 Y CB 0.610 39.002 38.460 -0.114 0.000 1.330 99 Y HN 0.077 nan 8.280 nan 0.000 0.457 100 V N 2.986 122.862 119.914 -0.063 0.000 2.439 100 V HA 0.339 4.467 4.120 0.013 0.000 0.282 100 V C -0.631 175.508 176.094 0.076 0.000 1.039 100 V CA -0.367 61.888 62.300 -0.075 0.000 0.913 100 V CB 0.839 32.615 31.823 -0.079 0.000 0.983 100 V HN 0.942 nan 8.190 nan 0.000 0.460 101 H N 2.533 121.582 119.070 -0.036 0.000 2.457 101 H HA 0.812 5.376 4.556 0.014 0.000 0.335 101 H C 0.057 175.435 175.328 0.083 0.000 1.115 101 H CA 0.518 56.617 56.048 0.086 0.000 1.219 101 H CB 1.685 31.517 29.762 0.117 0.000 1.471 101 H HN 0.914 nan 8.280 nan 0.000 0.491 102 G N 1.885 110.355 108.800 -0.551 0.000 2.561 102 G HA2 0.449 4.417 3.960 0.013 0.000 0.310 102 G HA3 0.449 4.417 3.960 0.013 0.000 0.310 102 G C -1.571 173.139 174.900 -0.317 0.000 1.292 102 G CA -0.295 44.602 45.100 -0.338 0.000 0.811 102 G HN 0.938 nan 8.290 nan 0.000 0.482 103 V N -2.013 117.810 119.914 -0.152 0.000 2.588 103 V HA 0.837 4.965 4.120 0.013 0.000 0.304 103 V C -0.647 175.409 176.094 -0.064 0.000 1.042 103 V CA -1.030 61.208 62.300 -0.104 0.000 0.877 103 V CB 1.264 33.045 31.823 -0.071 0.000 0.996 103 V HN 0.732 nan 8.190 nan 0.000 0.425 104 V N 5.221 125.098 119.914 -0.062 0.000 2.444 104 V HA 0.532 4.660 4.120 0.013 0.000 0.294 104 V C 0.599 176.669 176.094 -0.040 0.000 1.022 104 V CA -0.909 61.365 62.300 -0.044 0.000 0.850 104 V CB 1.324 33.122 31.823 -0.042 0.000 0.992 104 V HN 0.988 nan 8.190 nan 0.000 0.426 105 K N 3.338 123.722 120.400 -0.027 0.000 2.960 105 K HA -0.262 4.066 4.320 0.013 0.000 0.259 105 K C 0.973 177.562 176.600 -0.019 0.000 1.025 105 K CA 0.875 57.150 56.287 -0.019 0.000 0.756 105 K CB -1.565 30.925 32.500 -0.016 0.000 1.221 105 K HN 1.717 nan 8.250 nan 0.000 0.483 106 G N -1.201 107.586 108.800 -0.023 0.000 2.140 106 G HA2 -0.216 3.753 3.960 0.013 0.000 0.211 106 G HA3 -0.216 3.753 3.960 0.013 0.000 0.211 106 G C -0.154 174.732 174.900 -0.024 0.000 1.013 106 G CA -0.102 44.988 45.100 -0.017 0.000 0.705 106 G HN 0.226 nan 8.290 nan 0.000 0.508 107 V N 0.758 120.644 119.914 -0.047 0.000 2.577 107 V HA 0.420 4.548 4.120 0.013 0.000 0.303 107 V C 0.196 176.242 176.094 -0.081 0.000 1.042 107 V CA -1.425 60.834 62.300 -0.069 0.000 0.872 107 V CB 1.928 33.683 31.823 -0.113 0.000 0.998 107 V HN 0.318 nan 8.190 nan 0.000 0.423 108 E N 3.158 123.326 120.200 -0.053 0.000 2.558 108 E HA 0.182 4.540 4.350 0.013 0.000 0.255 108 E C -0.665 175.901 176.600 -0.057 0.000 0.968 108 E CA 0.309 56.693 56.400 -0.026 0.000 0.939 108 E CB 1.303 31.064 29.700 0.103 0.000 0.921 108 E HN 0.398 nan 8.360 nan 0.000 0.477 109 V N 3.264 123.112 119.914 -0.109 0.000 2.789 109 V HA 0.260 4.388 4.120 0.013 0.000 0.311 109 V C -0.637 175.479 176.094 0.036 0.000 1.073 109 V CA -0.958 61.315 62.300 -0.046 0.000 0.921 109 V CB 2.519 34.303 31.823 -0.065 0.000 1.009 109 V HN 0.490 nan 8.190 nan 0.000 0.426 110 D N 1.720 122.189 120.400 0.116 0.000 2.502 110 D HA 0.630 5.278 4.640 0.013 0.000 0.249 110 D C -0.846 175.507 176.300 0.089 0.000 1.092 110 D CA -0.082 54.036 54.000 0.196 0.000 0.839 110 D CB 2.204 43.137 40.800 0.222 0.000 1.264 110 D HN 0.319 nan 8.370 nan 0.000 0.511 111 V N 2.206 122.169 119.914 0.082 0.000 2.384 111 V HA 0.548 4.676 4.120 0.013 0.000 0.287 111 V C -0.238 175.828 176.094 -0.047 0.000 1.020 111 V CA -0.829 61.457 62.300 -0.024 0.000 0.850 111 V CB 1.590 33.381 31.823 -0.052 0.000 0.987 111 V HN 0.298 nan 8.190 nan 0.000 0.436 112 V N 6.773 126.543 119.914 -0.241 0.000 2.380 112 V HA 0.397 4.525 4.120 0.013 0.000 0.286 112 V C -2.384 173.435 176.094 -0.458 0.000 1.015 112 V CA -1.773 60.278 62.300 -0.415 0.000 0.834 112 V CB 2.024 33.356 31.823 -0.818 0.000 1.009 112 V HN 0.701 nan 8.190 nan 0.000 0.428 113 P HA 0.309 nan 4.420 nan 0.000 0.271 113 P C -0.327 176.960 177.300 -0.021 0.000 1.216 113 P CA 0.197 63.297 63.100 0.002 0.000 0.771 113 P CB 1.237 32.914 31.700 -0.039 0.000 0.864 114 C N 2.727 122.057 119.300 0.051 0.000 3.292 114 C HA 0.623 5.091 4.460 0.013 0.000 0.369 114 C C -1.130 173.848 174.990 -0.019 0.000 1.664 114 C CA -0.926 58.118 59.018 0.043 0.000 1.204 114 C CB 0.465 28.328 27.740 0.207 0.000 1.978 114 C HN 0.461 nan 8.230 nan 0.000 0.435 115 Y N 0.887 121.329 120.300 0.237 0.000 2.420 115 Y HA 0.595 5.153 4.550 0.013 0.000 0.334 115 Y C 0.496 176.518 175.900 0.203 0.000 1.094 115 Y CA -0.347 57.884 58.100 0.218 0.000 1.126 115 Y CB 1.126 39.687 38.460 0.169 0.000 1.217 115 Y HN 0.714 nan 8.280 nan 0.000 0.462 116 K N 3.908 124.520 120.400 0.353 0.000 2.201 116 K HA 0.628 4.956 4.320 0.013 0.000 0.278 116 K C -1.751 175.003 176.600 0.256 0.000 1.027 116 K CA -0.220 56.216 56.287 0.249 0.000 0.909 116 K CB 0.435 33.032 32.500 0.162 0.000 1.062 116 K HN 0.702 nan 8.250 nan 0.000 0.465 117 L N 3.147 124.536 121.223 0.278 0.000 2.409 117 L HA 0.463 4.811 4.340 0.013 0.000 0.262 117 L C -0.946 176.098 176.870 0.290 0.000 0.992 117 L CA -1.265 53.739 54.840 0.274 0.000 0.817 117 L CB 2.197 44.429 42.059 0.289 0.000 1.350 117 L HN 0.501 nan 8.230 nan 0.000 0.411 118 K N 1.734 122.257 120.400 0.205 0.000 2.172 118 K HA 0.495 4.823 4.320 0.013 0.000 0.276 118 K C -1.024 175.708 176.600 0.219 0.000 1.013 118 K CA -0.537 55.871 56.287 0.203 0.000 0.913 118 K CB 0.756 33.323 32.500 0.112 0.000 1.055 118 K HN 0.391 nan 8.250 nan 0.000 0.461 119 E N 1.025 121.391 120.200 0.276 0.000 7.597 119 E HA -0.128 4.230 4.350 0.013 0.000 0.453 119 E C -2.300 174.229 176.600 -0.119 0.000 0.390 119 E CA 0.073 56.550 56.400 0.129 0.000 0.710 119 E CB -0.526 29.201 29.700 0.045 0.000 0.966 119 E HN 0.462 nan 8.360 nan 0.000 0.263 120 P HA -0.023 nan 4.420 nan 0.000 0.218 120 P C 0.476 177.549 177.300 -0.378 0.000 1.151 120 P CA 0.592 63.218 63.100 -0.790 0.000 0.850 120 P CB 0.254 31.466 31.700 -0.813 0.000 0.801 121 K N 1.527 121.798 120.400 -0.215 0.000 2.484 121 K HA -0.035 4.293 4.320 0.013 0.000 0.280 121 K C -0.349 176.186 176.600 -0.109 0.000 1.013 121 K CA 0.438 56.645 56.287 -0.133 0.000 1.029 121 K CB -0.780 31.673 32.500 -0.080 0.000 0.902 121 K HN 0.011 nan 8.250 nan 0.000 0.481 122 N N 2.125 120.769 118.700 -0.092 0.000 2.744 122 N HA -0.197 4.551 4.740 0.013 0.000 0.263 122 N C -0.437 175.019 175.510 -0.091 0.000 1.150 122 N CA 0.366 53.371 53.050 -0.076 0.000 0.668 122 N CB -1.235 37.218 38.487 -0.058 0.000 0.908 122 N HN 0.612 nan 8.380 nan 0.000 0.562 123 I N 0.316 120.831 120.570 -0.091 0.000 2.938 123 I HA 0.008 4.186 4.170 0.013 0.000 0.285 123 I C 1.406 177.485 176.117 -0.064 0.000 1.182 123 I CA 0.318 61.568 61.300 -0.083 0.000 1.388 123 I CB 0.768 38.725 38.000 -0.072 0.000 1.390 123 I HN 0.455 nan 8.210 nan 0.000 0.600 124 K N 2.948 123.313 120.400 -0.058 0.000 2.218 124 K HA 0.038 4.366 4.320 0.013 0.000 0.214 124 K C 1.328 177.946 176.600 0.030 0.000 1.033 124 K CA 0.723 56.955 56.287 -0.093 0.000 0.949 124 K CB -0.005 32.284 32.500 -0.350 0.000 0.993 124 K HN 0.829 nan 8.250 nan 0.000 0.464 125 S N -0.402 115.398 115.700 0.166 0.000 2.354 125 S HA 0.362 4.840 4.470 0.013 0.000 0.209 125 S C 1.433 176.094 174.600 0.102 0.000 1.248 125 S CA 0.044 58.375 58.200 0.219 0.000 1.211 125 S CB 0.416 63.851 63.200 0.391 0.000 0.896 125 S HN 0.333 nan 8.310 nan 0.000 0.447 126 A N -0.229 122.610 122.820 0.032 0.000 1.977 126 A HA 0.434 4.762 4.320 0.013 0.000 0.197 126 A C 1.854 179.379 177.584 -0.098 0.000 1.554 126 A CA 0.622 52.632 52.037 -0.046 0.000 1.037 126 A CB -0.477 18.497 19.000 -0.043 0.000 1.083 126 A HN 1.283 nan 8.150 nan 0.000 0.471 127 V N -2.239 117.568 119.914 -0.178 0.000 3.647 127 V HA 0.106 4.234 4.120 0.013 0.000 0.279 127 V C 0.826 176.970 176.094 0.084 0.000 1.314 127 V CA 0.976 63.245 62.300 -0.052 0.000 1.125 127 V CB -0.452 31.332 31.823 -0.064 0.000 0.907 127 V HN 0.249 nan 8.190 nan 0.000 0.434 128 D N 1.545 121.987 120.400 0.070 0.000 2.271 128 D HA -0.201 4.447 4.640 0.013 0.000 0.207 128 D C 2.070 178.382 176.300 0.020 0.000 0.983 128 D CA 1.381 55.453 54.000 0.121 0.000 0.878 128 D CB -0.177 40.693 40.800 0.116 0.000 0.920 128 D HN 0.515 nan 8.370 nan 0.000 0.479 129 R N 0.151 120.564 120.500 -0.145 0.000 2.193 129 R HA -0.034 4.314 4.340 0.013 0.000 0.213 129 R C 1.714 177.716 176.300 -0.497 0.000 1.055 129 R CA 0.835 56.700 56.100 -0.391 0.000 0.995 129 R CB 0.111 30.124 30.300 -0.478 0.000 0.893 129 R HN 0.049 nan 8.270 nan 0.000 0.459 130 T N 1.006 115.402 114.554 -0.263 0.000 2.777 130 T HA -0.029 4.329 4.350 0.013 0.000 0.266 130 T C -1.291 173.286 174.700 -0.205 0.000 1.040 130 T CA 0.916 62.877 62.100 -0.232 0.000 1.141 130 T CB -0.674 68.004 68.868 -0.317 0.000 0.868 130 T HN 0.279 nan 8.240 nan 0.000 0.444 131 P HA -0.012 nan 4.420 nan 0.000 0.215 131 P C 1.040 178.362 177.300 0.036 0.000 1.157 131 P CA 0.885 63.939 63.100 -0.076 0.000 0.863 131 P CB -0.197 31.489 31.700 -0.024 0.000 0.787 132 F N -0.702 119.201 119.950 -0.078 0.000 2.063 132 F HA -0.261 4.274 4.527 0.013 0.000 0.298 132 F C 2.534 178.362 175.800 0.046 0.000 1.109 132 F CA 1.835 59.813 58.000 -0.038 0.000 1.212 132 F CB -1.621 37.309 39.000 -0.115 0.000 0.973 132 F HN 0.118 nan 8.300 nan 0.000 0.480 133 H N -2.566 116.595 119.070 0.153 0.000 2.292 133 H HA -0.311 4.254 4.556 0.014 0.000 0.292 133 H C 2.170 177.614 175.328 0.192 0.000 1.100 133 H CA 1.817 57.889 56.048 0.041 0.000 1.238 133 H CB -0.351 29.200 29.762 -0.352 0.000 1.355 133 H HN 0.293 nan 8.280 nan 0.000 0.484 134 H N 0.880 120.048 119.070 0.164 0.000 2.389 134 H HA -0.026 4.538 4.556 0.013 0.000 0.299 134 H C 1.726 177.132 175.328 0.131 0.000 1.081 134 H CA 1.244 57.365 56.048 0.122 0.000 1.345 134 H CB 0.206 29.980 29.762 0.020 0.000 1.393 134 H HN 0.044 nan 8.280 nan 0.000 0.520 135 K N -0.872 119.526 120.400 -0.003 0.000 2.486 135 K HA -0.109 4.219 4.320 0.013 0.000 0.194 135 K C 1.383 178.008 176.600 0.042 0.000 1.033 135 K CA 0.463 56.699 56.287 -0.084 0.000 1.004 135 K CB -0.166 32.287 32.500 -0.078 0.000 0.798 135 K HN 0.455 nan 8.250 nan 0.000 0.495 136 W N 0.247 121.551 121.300 0.007 0.000 2.737 136 W HA 0.018 4.686 4.660 0.013 0.000 0.262 136 W C 1.133 177.681 176.519 0.047 0.000 1.282 136 W CA 0.331 57.712 57.345 0.060 0.000 1.386 136 W CB 0.315 29.866 29.460 0.153 0.000 1.099 136 W HN -0.106 nan 8.180 nan 0.000 0.621 137 L N 0.127 121.463 121.223 0.190 0.000 2.463 137 L HA 0.092 4.440 4.340 0.013 0.000 0.219 137 L C 2.133 178.962 176.870 -0.067 0.000 1.088 137 L CA 1.085 55.988 54.840 0.105 0.000 0.849 137 L CB -0.843 41.389 42.059 0.288 0.000 1.012 137 L HN -0.083 nan 8.230 nan 0.000 0.468 138 E N -0.034 120.045 120.200 -0.201 0.000 2.114 138 E HA -0.221 4.137 4.350 0.013 0.000 0.199 138 E C 1.729 178.247 176.600 -0.136 0.000 1.008 138 E CA 1.450 57.716 56.400 -0.224 0.000 0.810 138 E CB -0.143 29.373 29.700 -0.307 0.000 0.739 138 E HN 0.532 nan 8.360 nan 0.000 0.456 139 G N -0.720 107.983 108.800 -0.163 0.000 3.159 139 G HA2 0.013 3.981 3.960 0.013 0.000 0.232 139 G HA3 0.013 3.981 3.960 0.013 0.000 0.232 139 G C 1.293 176.094 174.900 -0.165 0.000 1.116 139 G CA -0.340 44.672 45.100 -0.146 0.000 0.767 139 G HN 0.015 nan 8.290 nan 0.000 0.547 140 R N -0.740 119.638 120.500 -0.203 0.000 2.195 140 R HA 0.282 4.630 4.340 0.013 0.000 0.197 140 R C 1.596 177.839 176.300 -0.095 0.000 0.990 140 R CA 0.008 55.980 56.100 -0.213 0.000 1.048 140 R CB 0.049 30.097 30.300 -0.419 0.000 0.997 140 R HN 0.278 nan 8.270 nan 0.000 0.502 141 I N 1.304 121.848 120.570 -0.043 0.000 3.578 141 I HA 0.019 4.197 4.170 0.013 0.000 0.295 141 I C 0.034 176.155 176.117 0.006 0.000 1.280 141 I CA 0.241 61.551 61.300 0.016 0.000 1.347 141 I CB -0.054 37.990 38.000 0.072 0.000 1.051 141 I HN -0.235 nan 8.210 nan 0.000 0.460 142 K N 0.998 121.385 120.400 -0.020 0.000 2.484 142 K HA 0.415 4.743 4.320 0.013 0.000 0.280 142 K C 0.688 177.278 176.600 -0.017 0.000 1.013 142 K CA 1.214 57.488 56.287 -0.021 0.000 1.029 142 K CB -0.128 32.349 32.500 -0.038 0.000 0.902 142 K HN 0.419 nan 8.250 nan 0.000 0.481 143 G N 2.821 111.614 108.800 -0.013 0.000 2.541 143 G HA2 -0.206 3.762 3.960 0.013 0.000 0.208 143 G HA3 -0.206 3.762 3.960 0.013 0.000 0.208 143 G C -0.741 174.153 174.900 -0.010 0.000 1.191 143 G CA -0.220 44.873 45.100 -0.013 0.000 1.217 143 G HN 0.558 nan 8.290 nan 0.000 0.566 144 K N 2.579 122.976 120.400 -0.004 0.000 3.000 144 K HA 0.181 4.509 4.320 0.013 0.000 0.265 144 K C 1.565 178.169 176.600 0.007 0.000 1.260 144 K CA 0.725 57.011 56.287 -0.003 0.000 1.209 144 K CB -0.282 32.220 32.500 0.004 0.000 1.484 144 K HN 0.527 nan 8.250 nan 0.000 0.283 145 E N 0.045 120.247 120.200 0.003 0.000 2.526 145 E HA -0.153 4.205 4.350 0.013 0.000 0.198 145 E C -0.118 176.481 176.600 -0.002 0.000 1.091 145 E CA 0.596 57.007 56.400 0.017 0.000 0.880 145 E CB -0.139 29.578 29.700 0.027 0.000 0.873 145 E HN 0.470 nan 8.360 nan 0.000 0.527 146 N N 1.023 119.708 118.700 -0.026 0.000 2.463 146 N HA -0.056 4.692 4.740 0.013 0.000 0.181 146 N C 1.248 176.729 175.510 -0.049 0.000 1.078 146 N CA 0.308 53.323 53.050 -0.058 0.000 0.902 146 N CB 0.197 38.638 38.487 -0.078 0.000 0.970 146 N HN 0.121 nan 8.380 nan 0.000 0.451 147 E N 0.220 120.423 120.200 0.005 0.000 2.338 147 E HA -0.058 4.300 4.350 0.013 0.000 0.197 147 E C 1.635 178.272 176.600 0.061 0.000 1.007 147 E CA 0.446 56.880 56.400 0.057 0.000 0.849 147 E CB 0.104 29.872 29.700 0.113 0.000 0.774 147 E HN 0.256 nan 8.360 nan 0.000 0.506 148 V N 1.051 120.990 119.914 0.042 0.000 2.331 148 V HA -0.163 3.965 4.120 0.013 0.000 0.242 148 V C 2.214 178.300 176.094 -0.012 0.000 1.034 148 V CA 1.336 63.668 62.300 0.054 0.000 1.027 148 V CB -0.335 31.538 31.823 0.084 0.000 0.667 148 V HN 0.174 nan 8.190 nan 0.000 0.457 149 R N -0.015 120.455 120.500 -0.049 0.000 2.193 149 R HA -0.075 4.273 4.340 0.013 0.000 0.229 149 R C 2.156 178.378 176.300 -0.129 0.000 1.110 149 R CA 1.128 57.173 56.100 -0.093 0.000 0.988 149 R CB -0.433 29.794 30.300 -0.122 0.000 0.871 149 R HN 0.414 nan 8.270 nan 0.000 0.458 150 L N 0.078 121.184 121.223 -0.195 0.000 2.068 150 L HA -0.130 4.218 4.340 0.013 0.000 0.204 150 L C 2.286 178.927 176.870 -0.382 0.000 1.076 150 L CA 0.509 55.168 54.840 -0.302 0.000 0.753 150 L CB -0.388 41.308 42.059 -0.605 0.000 0.910 150 L HN 0.138 nan 8.230 nan 0.000 0.439 151 L N 0.144 121.138 121.223 -0.382 0.000 2.012 151 L HA -0.235 4.113 4.340 0.013 0.000 0.210 151 L C 2.493 179.345 176.870 -0.029 0.000 1.073 151 L CA 1.873 56.648 54.840 -0.108 0.000 0.748 151 L CB -0.564 41.574 42.059 0.132 0.000 0.891 151 L HN 0.106 nan 8.230 nan 0.000 0.431 152 K N -0.715 119.637 120.400 -0.081 0.000 2.009 152 K HA -0.137 4.191 4.320 0.013 0.000 0.210 152 K C 2.011 178.443 176.600 -0.280 0.000 1.049 152 K CA 1.417 57.552 56.287 -0.253 0.000 0.929 152 K CB -0.910 31.404 32.500 -0.310 0.000 0.714 152 K HN 0.556 nan 8.250 nan 0.000 0.440 153 G N 0.998 109.716 108.800 -0.137 0.000 2.440 153 G HA2 -0.285 3.683 3.960 0.013 0.000 0.218 153 G HA3 -0.285 3.683 3.960 0.013 0.000 0.218 153 G C 1.358 176.220 174.900 -0.062 0.000 1.154 153 G CA 0.622 45.703 45.100 -0.031 0.000 0.767 153 G HN 0.190 nan 8.290 nan 0.000 0.552 154 F N 1.198 120.945 119.950 -0.338 0.000 2.046 154 F HA -0.072 4.462 4.527 0.012 0.000 0.297 154 F C 2.587 178.228 175.800 -0.265 0.000 1.123 154 F CA 1.584 59.244 58.000 -0.566 0.000 1.199 154 F CB -0.317 38.398 39.000 -0.475 0.000 0.972 154 F HN 0.055 nan 8.300 nan 0.000 0.474 155 L N -0.257 120.964 121.223 -0.003 0.000 2.141 155 L HA -0.197 4.152 4.340 0.013 0.000 0.209 155 L C 2.407 179.279 176.870 0.003 0.000 1.094 155 L CA 1.505 56.339 54.840 -0.010 0.000 0.763 155 L CB -0.694 41.385 42.059 0.032 0.000 0.908 155 L HN 0.096 nan 8.230 nan 0.000 0.437 156 K N 0.408 120.765 120.400 -0.070 0.000 2.057 156 K HA -0.106 4.222 4.320 0.013 0.000 0.206 156 K C 2.209 178.779 176.600 -0.050 0.000 1.050 156 K CA 1.137 57.404 56.287 -0.033 0.000 0.935 156 K CB -0.113 32.298 32.500 -0.148 0.000 0.715 156 K HN 0.235 nan 8.250 nan 0.000 0.439 157 A N 1.174 123.923 122.820 -0.118 0.000 1.978 157 A HA -0.134 4.194 4.320 0.013 0.000 0.220 157 A C 1.417 178.916 177.584 -0.142 0.000 1.170 157 A CA 1.589 53.544 52.037 -0.136 0.000 0.636 157 A CB -0.340 18.547 19.000 -0.189 0.000 0.810 157 A HN 0.346 nan 8.150 nan 0.000 0.448 158 N N -0.953 117.652 118.700 -0.157 0.000 2.268 158 N HA 0.181 4.929 4.740 0.013 0.000 0.204 158 N C 1.042 176.534 175.510 -0.029 0.000 1.124 158 N CA 0.868 53.846 53.050 -0.120 0.000 0.838 158 N CB 0.509 38.889 38.487 -0.178 0.000 0.994 158 N HN 0.593 nan 8.380 nan 0.000 0.489 159 G N 1.736 110.533 108.800 -0.004 0.000 2.155 159 G HA2 -0.276 3.692 3.960 0.013 0.000 0.257 159 G HA3 -0.276 3.692 3.960 0.013 0.000 0.257 159 G C 0.569 175.509 174.900 0.067 0.000 0.983 159 G CA 0.640 45.756 45.100 0.026 0.000 0.676 159 G HN 0.536 nan 8.290 nan 0.000 0.528 160 I N -3.620 117.018 120.570 0.113 0.000 3.762 160 I HA 0.535 4.713 4.170 0.013 0.000 0.333 160 I C 1.430 177.713 176.117 0.276 0.000 1.566 160 I CA -1.074 60.339 61.300 0.188 0.000 1.129 160 I CB -0.207 37.951 38.000 0.263 0.000 1.218 160 I HN 0.023 nan 8.210 nan 0.000 0.456 161 Y N 2.979 123.328 120.300 0.081 0.000 2.806 161 Y HA 0.385 4.943 4.550 0.013 0.000 0.216 161 Y C 1.923 177.887 175.900 0.106 0.000 0.928 161 Y CA 0.794 58.948 58.100 0.090 0.000 0.941 161 Y CB -0.921 37.571 38.460 0.054 0.000 1.058 161 Y HN 0.200 nan 8.280 nan 0.000 0.498 162 G N -0.246 108.315 108.800 -0.398 0.000 2.765 162 G HA2 0.177 4.145 3.960 0.013 0.000 0.230 162 G HA3 0.177 4.145 3.960 0.013 0.000 0.230 162 G C 0.357 175.105 174.900 -0.254 0.000 1.238 162 G CA 0.161 44.983 45.100 -0.464 0.000 0.854 162 G HN 0.935 nan 8.290 nan 0.000 0.579 163 A N 0.684 123.351 122.820 -0.254 0.000 2.387 163 A HA 0.277 4.606 4.320 0.013 0.000 0.234 163 A C 1.225 178.653 177.584 -0.260 0.000 1.253 163 A CA 0.390 52.292 52.037 -0.226 0.000 0.894 163 A CB -0.180 18.693 19.000 -0.212 0.000 0.963 163 A HN 0.790 nan 8.150 nan 0.000 0.508 164 E N -0.504 119.569 120.200 -0.213 0.000 2.392 164 E HA 0.032 4.390 4.350 0.013 0.000 0.256 164 E C -0.002 176.479 176.600 -0.197 0.000 1.145 164 E CA -0.330 55.943 56.400 -0.212 0.000 0.929 164 E CB 0.217 29.868 29.700 -0.081 0.000 0.998 164 E HN 0.440 nan 8.360 nan 0.000 0.442 165 Y N 0.758 121.062 120.300 0.007 0.000 2.207 165 Y HA -0.214 4.344 4.550 0.013 0.000 0.287 165 Y C 2.683 178.556 175.900 -0.044 0.000 1.156 165 Y CA 1.924 60.040 58.100 0.027 0.000 1.182 165 Y CB -0.196 38.327 38.460 0.105 0.000 0.979 165 Y HN 0.540 nan 8.280 nan 0.000 0.521 166 K N -0.135 120.227 120.400 -0.064 0.000 2.286 166 K HA -0.178 4.150 4.320 0.013 0.000 0.203 166 K C 1.291 177.764 176.600 -0.212 0.000 1.045 166 K CA 1.544 57.548 56.287 -0.471 0.000 0.935 166 K CB -0.012 32.138 32.500 -0.584 0.000 0.737 166 K HN 0.213 nan 8.250 nan 0.000 0.460 167 V N -0.835 119.020 119.914 -0.098 0.000 2.996 167 V HA 0.078 4.207 4.120 0.013 0.000 0.235 167 V C 0.333 176.407 176.094 -0.033 0.000 1.205 167 V CA -0.200 62.064 62.300 -0.060 0.000 1.225 167 V CB 0.036 31.827 31.823 -0.053 0.000 0.995 167 V HN 0.231 nan 8.190 nan 0.000 0.484 168 R N 0.672 121.136 120.500 -0.060 0.000 3.422 168 R HA -0.153 4.195 4.340 0.013 0.000 0.267 168 R C 0.382 176.618 176.300 -0.108 0.000 1.074 168 R CA 0.723 56.779 56.100 -0.073 0.000 0.718 168 R CB -2.060 28.250 30.300 0.016 0.000 1.157 168 R HN 0.675 nan 8.270 nan 0.000 0.440 169 G N -0.369 108.359 108.800 -0.120 0.000 3.234 169 G HA2 0.612 4.580 3.960 0.013 0.000 0.159 169 G HA3 0.612 4.580 3.960 0.013 0.000 0.159 169 G C -0.757 174.012 174.900 -0.218 0.000 1.175 169 G CA -0.741 44.294 45.100 -0.109 0.000 0.900 169 G HN 0.033 nan 8.290 nan 0.000 0.621 170 F N 1.538 121.412 119.950 -0.126 0.000 2.421 170 F HA 0.504 5.037 4.527 0.012 0.000 0.358 170 F C 1.157 176.832 175.800 -0.208 0.000 1.115 170 F CA -0.436 57.487 58.000 -0.128 0.000 1.160 170 F CB 1.590 40.547 39.000 -0.072 0.000 1.123 170 F HN 0.213 nan 8.300 nan 0.000 0.508 171 S N 2.572 118.239 115.700 -0.055 0.000 2.568 171 S HA 0.211 4.689 4.470 0.013 0.000 0.282 171 S C 1.542 176.145 174.600 0.004 0.000 1.338 171 S CA -0.042 58.102 58.200 -0.094 0.000 1.045 171 S CB 0.926 64.099 63.200 -0.044 0.000 0.873 171 S HN 0.886 nan 8.310 nan 0.000 0.516 172 G N 3.095 111.883 108.800 -0.020 0.000 2.476 172 G HA2 -0.260 3.708 3.960 0.013 0.000 0.218 172 G HA3 -0.260 3.708 3.960 0.013 0.000 0.218 172 G C 1.157 176.203 174.900 0.244 0.000 1.164 172 G CA 1.260 46.495 45.100 0.225 0.000 0.768 172 G HN 0.905 nan 8.290 nan 0.000 0.560 173 Y N 1.025 121.354 120.300 0.048 0.000 2.165 173 Y HA -0.100 4.459 4.550 0.014 0.000 0.286 173 Y C 2.437 178.353 175.900 0.027 0.000 1.155 173 Y CA 1.477 59.582 58.100 0.008 0.000 1.164 173 Y CB -0.516 37.868 38.460 -0.127 0.000 0.978 173 Y HN 0.136 nan 8.280 nan 0.000 0.513 174 L N -0.196 120.981 121.223 -0.077 0.000 2.129 174 L HA -0.237 4.111 4.340 0.013 0.000 0.212 174 L C 2.242 179.128 176.870 0.027 0.000 1.087 174 L CA 1.843 56.618 54.840 -0.107 0.000 0.757 174 L CB -1.200 40.862 42.059 0.004 0.000 0.896 174 L HN 0.452 nan 8.230 nan 0.000 0.434 175 C N -0.422 118.952 119.300 0.122 0.000 2.476 175 C HA -0.089 4.379 4.460 0.013 0.000 0.278 175 C C 2.513 177.585 174.990 0.137 0.000 1.274 175 C CA 0.805 59.926 59.018 0.172 0.000 1.713 175 C CB -0.856 27.017 27.740 0.223 0.000 2.039 175 C HN 0.581 nan 8.230 nan 0.000 0.484 176 E N 0.599 120.861 120.200 0.104 0.000 2.204 176 E HA -0.125 4.233 4.350 0.013 0.000 0.194 176 E C 1.994 178.648 176.600 0.090 0.000 0.989 176 E CA 0.789 57.258 56.400 0.116 0.000 0.824 176 E CB -0.125 29.675 29.700 0.166 0.000 0.756 176 E HN 0.617 nan 8.360 nan 0.000 0.477 177 L N 0.260 121.461 121.223 -0.037 0.000 2.109 177 L HA -0.128 4.220 4.340 0.013 0.000 0.207 177 L C 2.193 179.136 176.870 0.122 0.000 1.086 177 L CA 0.711 55.539 54.840 -0.020 0.000 0.760 177 L CB -0.127 41.758 42.059 -0.290 0.000 0.910 177 L HN 0.188 nan 8.230 nan 0.000 0.437 178 L N -0.741 120.580 121.223 0.164 0.000 2.093 178 L HA -0.209 4.139 4.340 0.013 0.000 0.208 178 L C 2.389 179.477 176.870 0.364 0.000 1.085 178 L CA 0.651 55.685 54.840 0.323 0.000 0.755 178 L CB -0.365 41.958 42.059 0.439 0.000 0.904 178 L HN 0.222 nan 8.230 nan 0.000 0.435 179 I N -0.707 120.025 120.570 0.271 0.000 2.394 179 I HA -0.178 4.001 4.170 0.013 0.000 0.251 179 I C 2.454 178.686 176.117 0.192 0.000 1.136 179 I CA 1.159 62.599 61.300 0.234 0.000 1.425 179 I CB -0.891 37.219 38.000 0.184 0.000 1.079 179 I HN 0.048 nan 8.210 nan 0.000 0.425 180 V N 0.043 120.070 119.914 0.189 0.000 2.453 180 V HA -0.235 3.893 4.120 0.013 0.000 0.247 180 V C 2.302 178.485 176.094 0.148 0.000 1.048 180 V CA 1.403 63.799 62.300 0.160 0.000 1.049 180 V CB -0.660 31.292 31.823 0.216 0.000 0.672 180 V HN 0.237 nan 8.190 nan 0.000 0.457 181 F N -0.771 119.185 119.950 0.011 0.000 2.259 181 F HA -0.091 4.443 4.527 0.012 0.000 0.298 181 F C 1.986 177.624 175.800 -0.269 0.000 1.088 181 F CA 1.513 59.417 58.000 -0.160 0.000 1.358 181 F CB 0.046 38.867 39.000 -0.298 0.000 1.040 181 F HN 0.166 nan 8.300 nan 0.000 0.505 182 Y N -1.222 119.202 120.300 0.207 0.000 2.558 182 Y HA 0.357 4.916 4.550 0.014 0.000 0.273 182 Y C 2.086 178.007 175.900 0.035 0.000 1.100 182 Y CA 0.455 58.619 58.100 0.107 0.000 1.276 182 Y CB 0.195 38.759 38.460 0.173 0.000 1.196 182 Y HN 0.076 nan 8.280 nan 0.000 0.527 183 G N -0.428 108.485 108.800 0.189 0.000 2.436 183 G HA2 -0.156 3.812 3.960 0.013 0.000 0.204 183 G HA3 -0.156 3.812 3.960 0.013 0.000 0.204 183 G C 0.177 175.145 174.900 0.112 0.000 1.026 183 G CA 0.081 45.245 45.100 0.108 0.000 0.658 183 G HN 0.687 nan 8.290 nan 0.000 0.499 184 S N -0.976 114.806 115.700 0.136 0.000 2.565 184 S HA 0.605 5.083 4.470 0.013 0.000 0.269 184 S C 0.449 175.131 174.600 0.137 0.000 1.153 184 S CA 0.384 58.661 58.200 0.129 0.000 0.835 184 S CB 1.202 64.454 63.200 0.086 0.000 1.122 184 S HN 1.457 nan 8.310 nan 0.000 0.462 185 F N 1.895 121.854 119.950 0.016 0.000 2.091 185 F HA -0.113 4.424 4.527 0.016 0.000 0.299 185 F C 1.764 177.503 175.800 -0.102 0.000 1.103 185 F CA 2.134 60.111 58.000 -0.038 0.000 1.228 185 F CB -0.283 38.684 39.000 -0.055 0.000 0.984 185 F HN 0.611 nan 8.300 nan 0.000 0.477 186 L N 0.980 121.997 121.223 -0.342 0.000 2.012 186 L HA -0.210 4.138 4.340 0.013 0.000 0.210 186 L C 2.381 179.040 176.870 -0.353 0.000 1.073 186 L CA 1.969 56.553 54.840 -0.427 0.000 0.748 186 L CB -0.885 41.109 42.059 -0.109 0.000 0.891 186 L HN 0.159 nan 8.230 nan 0.000 0.431 187 E N -0.907 119.175 120.200 -0.197 0.000 2.150 187 E HA -0.157 4.201 4.350 0.013 0.000 0.193 187 E C 2.052 178.467 176.600 -0.309 0.000 0.985 187 E CA 1.635 57.932 56.400 -0.172 0.000 0.814 187 E CB -0.358 29.322 29.700 -0.034 0.000 0.752 187 E HN 0.582 nan 8.360 nan 0.000 0.466 188 T N 0.971 115.353 114.554 -0.287 0.000 2.812 188 T HA -0.067 4.291 4.350 0.013 0.000 0.264 188 T C 2.192 176.548 174.700 -0.574 0.000 1.042 188 T CA 0.823 62.689 62.100 -0.391 0.000 1.140 188 T CB -0.174 68.695 68.868 0.001 0.000 0.870 188 T HN -0.032 nan 8.240 nan 0.000 0.445 189 V N 1.601 121.130 119.914 -0.641 0.000 2.343 189 V HA -0.160 3.968 4.120 0.013 0.000 0.247 189 V C 2.581 178.327 176.094 -0.579 0.000 1.051 189 V CA 1.461 63.326 62.300 -0.725 0.000 1.036 189 V CB -0.443 30.818 31.823 -0.937 0.000 0.654 189 V HN 0.441 nan 8.190 nan 0.000 0.451 190 K N 0.018 120.136 120.400 -0.471 0.000 2.044 190 K HA -0.206 4.123 4.320 0.013 0.000 0.210 190 K C 1.989 178.352 176.600 -0.394 0.000 1.049 190 K CA 1.791 57.861 56.287 -0.362 0.000 0.927 190 K CB -0.378 31.961 32.500 -0.268 0.000 0.713 190 K HN 0.550 nan 8.250 nan 0.000 0.443 191 N N 0.355 118.739 118.700 -0.526 0.000 2.207 191 N HA -0.080 4.668 4.740 0.013 0.000 0.182 191 N C 1.822 176.921 175.510 -0.685 0.000 1.020 191 N CA 0.710 53.446 53.050 -0.523 0.000 0.858 191 N CB -0.009 38.039 38.487 -0.732 0.000 0.991 191 N HN 0.137 nan 8.380 nan 0.000 0.427 192 A N 1.864 124.049 122.820 -1.058 0.000 2.084 192 A HA -0.167 4.161 4.320 0.013 0.000 0.221 192 A C 2.113 179.263 177.584 -0.722 0.000 1.161 192 A CA 1.152 52.248 52.037 -1.567 0.000 0.653 192 A CB -0.398 17.828 19.000 -1.290 0.000 0.802 192 A HN 0.284 nan 8.150 nan 0.000 0.457 193 R N -0.870 119.347 120.500 -0.472 0.000 2.096 193 R HA -0.044 4.304 4.340 0.013 0.000 0.235 193 R C 2.269 178.523 176.300 -0.076 0.000 1.127 193 R CA 1.517 57.477 56.100 -0.234 0.000 0.968 193 R CB -0.240 29.929 30.300 -0.218 0.000 0.861 193 R HN 0.459 nan 8.270 nan 0.000 0.440 194 R N -0.690 119.774 120.500 -0.059 0.000 2.236 194 R HA -0.030 4.318 4.340 0.013 0.000 0.208 194 R C -0.154 176.307 176.300 0.270 0.000 1.036 194 R CA -0.019 56.133 56.100 0.087 0.000 1.001 194 R CB 0.105 30.455 30.300 0.083 0.000 0.896 194 R HN 0.086 nan 8.270 nan 0.000 0.464 195 W N 2.373 123.760 121.300 0.146 0.000 2.409 195 W HA -0.079 4.587 4.660 0.010 0.000 0.338 195 W C 1.172 177.812 176.519 0.202 0.000 1.273 195 W CA 0.111 57.597 57.345 0.236 0.000 1.299 195 W CB -0.302 29.369 29.460 0.351 0.000 1.192 195 W HN 0.071 nan 8.180 nan 0.000 0.565 196 T N 0.190 114.991 114.554 0.411 0.000 2.876 196 T HA 0.485 4.843 4.350 0.013 0.000 0.277 196 T C 1.159 176.043 174.700 0.308 0.000 0.997 196 T CA -0.801 61.467 62.100 0.280 0.000 0.966 196 T CB 1.281 70.262 68.868 0.189 0.000 1.312 196 T HN 0.506 nan 8.240 nan 0.000 0.598 197 R N -0.281 120.348 120.500 0.214 0.000 2.310 197 R HA 0.202 4.550 4.340 0.013 0.000 0.202 197 R C 0.993 177.417 176.300 0.206 0.000 0.933 197 R CA -0.326 55.902 56.100 0.213 0.000 1.054 197 R CB 0.046 30.416 30.300 0.117 0.000 0.985 197 R HN 0.305 nan 8.270 nan 0.000 0.489 198 R N 0.517 121.113 120.500 0.160 0.000 2.334 198 R HA 0.147 4.495 4.340 0.013 0.000 0.212 198 R C -0.048 176.266 176.300 0.023 0.000 0.897 198 R CA 0.143 56.294 56.100 0.084 0.000 1.056 198 R CB 0.053 30.392 30.300 0.065 0.000 1.046 198 R HN 0.042 nan 8.270 nan 0.000 0.513 199 T N 1.801 116.371 114.554 0.027 0.000 2.902 199 T HA 0.182 4.540 4.350 0.013 0.000 0.301 199 T C 0.134 174.560 174.700 -0.457 0.000 1.012 199 T CA 0.241 62.240 62.100 -0.169 0.000 1.151 199 T CB 1.360 70.126 68.868 -0.170 0.000 0.946 199 T HN -0.208 nan 8.240 nan 0.000 0.542 200 V N 5.329 125.040 119.914 -0.338 0.000 2.443 200 V HA 0.407 4.535 4.120 0.013 0.000 0.293 200 V C -0.080 175.807 176.094 -0.344 0.000 1.021 200 V CA -0.746 61.350 62.300 -0.339 0.000 0.848 200 V CB 1.425 33.130 31.823 -0.196 0.000 0.998 200 V HN 0.784 nan 8.190 nan 0.000 0.424 201 I N 4.031 124.309 120.570 -0.486 0.000 2.328 201 I HA 0.359 4.537 4.170 0.013 0.000 0.287 201 I C -0.236 175.580 176.117 -0.502 0.000 1.012 201 I CA -0.108 60.825 61.300 -0.613 0.000 1.195 201 I CB 1.311 38.804 38.000 -0.846 0.000 1.350 201 I HN 0.506 nan 8.210 nan 0.000 0.464 202 D N 6.802 126.997 120.400 -0.342 0.000 2.493 202 D HA 0.161 4.809 4.640 0.013 0.000 0.235 202 D C 1.115 177.449 176.300 0.057 0.000 1.117 202 D CA -0.240 53.689 54.000 -0.119 0.000 0.930 202 D CB 1.356 42.147 40.800 -0.016 0.000 1.010 202 D HN 0.266 nan 8.370 nan 0.000 0.514 203 V N 3.261 123.157 119.914 -0.029 0.000 2.324 203 V HA -0.316 3.812 4.120 0.013 0.000 0.250 203 V C 2.594 178.872 176.094 0.307 0.000 1.060 203 V CA 2.215 64.694 62.300 0.298 0.000 1.042 203 V CB -0.848 31.049 31.823 0.124 0.000 0.650 203 V HN 0.575 nan 8.190 nan 0.000 0.450 204 A N -0.545 122.361 122.820 0.145 0.000 1.851 204 A HA -0.258 4.070 4.320 0.013 0.000 0.216 204 A C 2.352 180.036 177.584 0.166 0.000 1.195 204 A CA 2.228 54.363 52.037 0.164 0.000 0.622 204 A CB -0.453 18.584 19.000 0.061 0.000 0.831 204 A HN 0.485 nan 8.150 nan 0.000 0.444 205 K N -1.891 118.589 120.400 0.133 0.000 2.400 205 K HA 0.168 4.496 4.320 0.013 0.000 0.194 205 K C 0.837 177.513 176.600 0.127 0.000 1.033 205 K CA 0.608 56.960 56.287 0.109 0.000 1.021 205 K CB -0.003 32.539 32.500 0.070 0.000 0.808 205 K HN 0.744 nan 8.250 nan 0.000 0.505 206 G N 2.495 111.431 108.800 0.227 0.000 2.225 206 G HA2 -0.272 3.696 3.960 0.013 0.000 0.264 206 G HA3 -0.272 3.696 3.960 0.013 0.000 0.264 206 G C -0.401 174.646 174.900 0.245 0.000 1.060 206 G CA 0.312 45.518 45.100 0.177 0.000 0.833 206 G HN 0.404 nan 8.290 nan 0.000 0.498 207 E N -0.354 120.035 120.200 0.315 0.000 2.129 207 E HA 0.505 4.863 4.350 0.013 0.000 0.268 207 E C 0.435 177.139 176.600 0.173 0.000 0.900 207 E CA -0.756 55.754 56.400 0.183 0.000 0.755 207 E CB 1.246 30.996 29.700 0.082 0.000 1.117 207 E HN 0.130 nan 8.360 nan 0.000 0.410 208 V N 6.507 126.537 119.914 0.194 0.000 2.525 208 V HA 0.160 4.288 4.120 0.013 0.000 0.326 208 V C 0.555 176.689 176.094 0.066 0.000 1.477 208 V CA -0.355 62.032 62.300 0.144 0.000 1.579 208 V CB -1.132 30.857 31.823 0.277 0.000 1.489 208 V HN 0.540 nan 8.190 nan 0.000 0.541 209 R N 0.538 121.042 120.500 0.007 0.000 2.574 209 R HA 0.513 4.861 4.340 0.013 0.000 0.266 209 R C -0.068 176.212 176.300 -0.034 0.000 1.157 209 R CA -0.832 55.263 56.100 -0.009 0.000 1.187 209 R CB 1.148 31.433 30.300 -0.026 0.000 1.179 209 R HN 0.181 nan 8.270 nan 0.000 0.600 210 K N 0.429 120.814 120.400 -0.025 0.000 2.540 210 K HA 0.253 4.581 4.320 0.013 0.000 0.218 210 K C -0.579 176.001 176.600 -0.034 0.000 1.017 210 K CA -0.345 55.931 56.287 -0.018 0.000 1.029 210 K CB 1.235 33.744 32.500 0.015 0.000 1.348 210 K HN 0.806 nan 8.250 nan 0.000 0.508 211 G N 1.184 109.948 108.800 -0.061 0.000 2.574 211 G HA2 0.078 4.046 3.960 0.013 0.000 0.248 211 G HA3 0.078 4.046 3.960 0.013 0.000 0.248 211 G C 0.215 175.095 174.900 -0.033 0.000 1.422 211 G CA -0.296 44.762 45.100 -0.071 0.000 1.051 211 G HN 0.603 nan 8.290 nan 0.000 0.560 212 E N -0.481 119.699 120.200 -0.034 0.000 2.489 212 E HA 0.114 4.472 4.350 0.013 0.000 0.193 212 E C 0.375 176.996 176.600 0.034 0.000 1.057 212 E CA 0.319 56.719 56.400 -0.000 0.000 0.866 212 E CB 0.454 30.149 29.700 -0.008 0.000 0.916 212 E HN 0.515 nan 8.360 nan 0.000 0.500 213 E N -0.138 120.091 120.200 0.048 0.000 2.392 213 E HA 0.081 4.439 4.350 0.013 0.000 0.281 213 E C -1.576 175.102 176.600 0.129 0.000 1.088 213 E CA -0.647 55.816 56.400 0.105 0.000 0.850 213 E CB 0.833 30.606 29.700 0.122 0.000 1.267 213 E HN -0.092 nan 8.360 nan 0.000 0.438 214 F N 3.346 123.295 119.950 -0.001 0.000 2.502 214 F HA 0.374 4.908 4.527 0.011 0.000 0.371 214 F C -0.957 174.826 175.800 -0.028 0.000 1.083 214 F CA 0.445 58.407 58.000 -0.063 0.000 1.174 214 F CB 0.230 39.151 39.000 -0.132 0.000 1.096 214 F HN 0.348 nan 8.300 nan 0.000 0.545 215 F N 6.737 126.385 119.950 -0.503 0.000 2.902 215 F HA 0.379 4.913 4.527 0.012 0.000 0.368 215 F C -1.384 174.145 175.800 -0.452 0.000 1.202 215 F CA -0.872 56.927 58.000 -0.335 0.000 1.109 215 F CB 0.809 39.675 39.000 -0.223 0.000 1.418 215 F HN 0.038 nan 8.300 nan 0.000 0.527 216 V N 6.603 126.256 119.914 -0.436 0.000 2.370 216 V HA 0.108 4.236 4.120 0.013 0.000 0.257 216 V C 0.212 176.139 176.094 -0.277 0.000 1.064 216 V CA -0.475 61.602 62.300 -0.372 0.000 0.975 216 V CB 0.815 32.431 31.823 -0.345 0.000 1.067 216 V HN 0.513 nan 8.190 nan 0.000 0.485 217 V N 4.353 124.231 119.914 -0.059 0.000 2.479 217 V HA 0.254 4.382 4.120 0.013 0.000 0.281 217 V C 0.279 176.326 176.094 -0.079 0.000 1.031 217 V CA -0.224 62.121 62.300 0.074 0.000 1.038 217 V CB 1.206 33.135 31.823 0.177 0.000 0.981 217 V HN 0.908 nan 8.190 nan 0.000 0.478 218 D N 7.310 127.673 120.400 -0.062 0.000 2.383 218 D HA 0.327 4.975 4.640 0.013 0.000 0.252 218 D C -1.654 174.555 176.300 -0.152 0.000 1.166 218 D CA -1.571 52.383 54.000 -0.076 0.000 0.879 218 D CB 1.834 42.659 40.800 0.043 0.000 1.164 218 D HN 0.455 nan 8.370 nan 0.000 0.462 219 P HA -0.112 nan 4.420 nan 0.000 0.225 219 P C 0.761 177.844 177.300 -0.361 0.000 1.148 219 P CA 0.595 63.365 63.100 -0.550 0.000 0.779 219 P CB 0.289 31.041 31.700 -1.579 0.000 0.780 220 V N -2.373 117.412 119.914 -0.216 0.000 3.431 220 V HA 0.163 4.291 4.120 0.013 0.000 0.253 220 V C 0.630 176.662 176.094 -0.104 0.000 1.184 220 V CA 0.622 62.857 62.300 -0.108 0.000 1.104 220 V CB -0.248 31.538 31.823 -0.063 0.000 0.799 220 V HN 0.060 nan 8.190 nan 0.000 0.462 221 D N -0.064 120.291 120.400 -0.076 0.000 2.613 221 D HA 0.203 4.851 4.640 0.013 0.000 0.230 221 D C 0.403 176.700 176.300 -0.006 0.000 1.365 221 D CA -0.188 53.779 54.000 -0.055 0.000 0.976 221 D CB 1.950 42.706 40.800 -0.072 0.000 1.415 221 D HN 0.150 nan 8.370 nan 0.000 0.589 222 E N 1.497 121.699 120.200 0.004 0.000 2.427 222 E HA -0.024 4.334 4.350 0.013 0.000 0.196 222 E C 1.136 177.801 176.600 0.108 0.000 1.028 222 E CA 0.335 56.761 56.400 0.043 0.000 0.864 222 E CB 0.640 30.341 29.700 0.002 0.000 0.813 222 E HN 0.303 nan 8.360 nan 0.000 0.514 223 K N 0.620 121.072 120.400 0.086 0.000 2.366 223 K HA 0.016 4.344 4.320 0.013 0.000 0.198 223 K C 1.112 177.874 176.600 0.269 0.000 1.044 223 K CA 0.215 56.578 56.287 0.128 0.000 0.973 223 K CB 0.252 32.782 32.500 0.051 0.000 0.767 223 K HN -0.069 nan 8.250 nan 0.000 0.475 224 R N 2.295 122.899 120.500 0.174 0.000 2.338 224 R HA 0.121 4.469 4.340 0.013 0.000 0.317 224 R C -0.902 175.272 176.300 -0.210 0.000 0.968 224 R CA -0.369 55.746 56.100 0.026 0.000 0.849 224 R CB 0.809 31.104 30.300 -0.009 0.000 1.128 224 R HN -0.092 nan 8.270 nan 0.000 0.448 225 N N 3.200 121.557 118.700 -0.572 0.000 2.419 225 N HA 0.051 4.799 4.740 0.013 0.000 0.264 225 N C 0.656 175.897 175.510 -0.449 0.000 1.031 225 N CA -0.195 52.260 53.050 -0.992 0.000 0.951 225 N CB 1.544 39.243 38.487 -1.313 0.000 1.101 225 N HN 0.344 nan 8.380 nan 0.000 0.488 226 V N 2.690 122.392 119.914 -0.353 0.000 2.871 226 V HA -0.006 4.122 4.120 0.013 0.000 0.256 226 V C 1.599 177.576 176.094 -0.195 0.000 1.082 226 V CA 1.751 63.939 62.300 -0.186 0.000 1.105 226 V CB -0.589 31.135 31.823 -0.164 0.000 0.713 226 V HN 0.794 nan 8.190 nan 0.000 0.473 227 A N -0.428 122.242 122.820 -0.250 0.000 2.423 227 A HA 0.568 4.896 4.320 0.013 0.000 0.246 227 A C 2.077 179.542 177.584 -0.199 0.000 1.278 227 A CA 0.663 52.581 52.037 -0.200 0.000 0.903 227 A CB -0.185 18.768 19.000 -0.079 0.000 0.997 227 A HN 0.419 nan 8.150 nan 0.000 0.510 228 A N 0.475 123.161 122.820 -0.224 0.000 2.084 228 A HA -0.193 4.135 4.320 0.013 0.000 0.221 228 A C 1.698 179.206 177.584 -0.126 0.000 1.161 228 A CA 1.915 53.845 52.037 -0.177 0.000 0.653 228 A CB -0.359 18.535 19.000 -0.177 0.000 0.802 228 A HN 0.492 nan 8.150 nan 0.000 0.457 229 N N -1.266 117.336 118.700 -0.162 0.000 2.184 229 N HA 0.138 4.886 4.740 0.013 0.000 0.206 229 N C 0.045 175.444 175.510 -0.186 0.000 1.151 229 N CA -0.286 52.662 53.050 -0.170 0.000 0.878 229 N CB -0.122 38.205 38.487 -0.267 0.000 1.014 229 N HN 0.472 nan 8.380 nan 0.000 0.512 230 L N 1.815 122.899 121.223 -0.232 0.000 2.361 230 L HA 0.304 4.653 4.340 0.013 0.000 0.278 230 L C 0.331 177.074 176.870 -0.213 0.000 1.113 230 L CA -0.374 54.285 54.840 -0.302 0.000 0.849 230 L CB 0.427 42.167 42.059 -0.532 0.000 1.155 230 L HN 0.144 nan 8.230 nan 0.000 0.452 231 S N 4.159 119.772 115.700 -0.146 0.000 2.614 231 S HA 0.083 4.561 4.470 0.013 0.000 0.265 231 S C 0.932 175.474 174.600 -0.098 0.000 1.303 231 S CA -0.570 57.584 58.200 -0.077 0.000 1.000 231 S CB 1.356 64.544 63.200 -0.020 0.000 0.935 231 S HN 0.795 nan 8.310 nan 0.000 0.551 232 L N 0.818 122.008 121.223 -0.055 0.000 2.012 232 L HA -0.085 4.263 4.340 0.013 0.000 0.210 232 L C 1.734 178.586 176.870 -0.029 0.000 1.073 232 L CA 2.146 56.958 54.840 -0.048 0.000 0.748 232 L CB -1.123 40.930 42.059 -0.009 0.000 0.891 232 L HN 0.764 nan 8.230 nan 0.000 0.431 233 D N -0.596 119.798 120.400 -0.010 0.000 2.117 233 D HA -0.164 4.484 4.640 0.013 0.000 0.198 233 D C 2.022 178.339 176.300 0.029 0.000 0.982 233 D CA 1.442 55.447 54.000 0.009 0.000 0.828 233 D CB -0.286 40.517 40.800 0.005 0.000 0.967 233 D HN 0.543 nan 8.370 nan 0.000 0.464 234 N N -0.089 118.620 118.700 0.015 0.000 2.166 234 N HA -0.131 4.617 4.740 0.013 0.000 0.186 234 N C 1.786 177.366 175.510 0.118 0.000 1.019 234 N CA 0.201 53.286 53.050 0.059 0.000 0.856 234 N CB 0.040 38.535 38.487 0.013 0.000 0.993 234 N HN 0.018 nan 8.380 nan 0.000 0.426 235 L N 1.391 122.611 121.223 -0.005 0.000 1.994 235 L HA -0.108 4.240 4.340 0.013 0.000 0.208 235 L C 2.208 179.194 176.870 0.193 0.000 1.071 235 L CA 1.632 56.485 54.840 0.023 0.000 0.745 235 L CB -0.820 41.083 42.059 -0.260 0.000 0.892 235 L HN 0.066 nan 8.230 nan 0.000 0.431 236 A N -0.300 122.589 122.820 0.114 0.000 1.903 236 A HA -0.309 4.019 4.320 0.013 0.000 0.219 236 A C 2.459 180.153 177.584 0.183 0.000 1.191 236 A CA 2.312 54.427 52.037 0.130 0.000 0.638 236 A CB -0.701 18.338 19.000 0.066 0.000 0.823 236 A HN 0.549 nan 8.150 nan 0.000 0.451 237 R N -2.235 118.380 120.500 0.192 0.000 2.073 237 R HA -0.115 4.233 4.340 0.013 0.000 0.234 237 R C 2.030 178.504 176.300 0.291 0.000 1.134 237 R CA 1.663 57.891 56.100 0.213 0.000 0.952 237 R CB -0.485 29.922 30.300 0.178 0.000 0.850 237 R HN 0.609 nan 8.270 nan 0.000 0.433 238 F N 1.007 121.088 119.950 0.218 0.000 2.051 238 F HA -0.218 4.319 4.527 0.015 0.000 0.296 238 F C 2.051 177.949 175.800 0.163 0.000 1.122 238 F CA 1.426 59.555 58.000 0.215 0.000 1.201 238 F CB -0.610 38.610 39.000 0.367 0.000 0.978 238 F HN -0.276 nan 8.300 nan 0.000 0.472 239 V N 0.692 120.716 119.914 0.182 0.000 2.370 239 V HA -0.397 3.731 4.120 0.013 0.000 0.252 239 V C 2.596 178.667 176.094 -0.039 0.000 1.068 239 V CA 2.476 64.782 62.300 0.010 0.000 1.061 239 V CB -1.161 30.782 31.823 0.199 0.000 0.656 239 V HN 0.575 nan 8.190 nan 0.000 0.455 240 H N -0.894 118.159 119.070 -0.028 0.000 2.333 240 H HA -0.036 4.525 4.556 0.010 0.000 0.302 240 H C 2.376 177.674 175.328 -0.050 0.000 1.075 240 H CA 1.318 57.351 56.048 -0.024 0.000 1.348 240 H CB 0.145 29.922 29.762 0.026 0.000 1.393 240 H HN 0.240 nan 8.280 nan 0.000 0.509 241 L N 0.606 121.804 121.223 -0.042 0.000 2.042 241 L HA -0.234 4.114 4.340 0.013 0.000 0.210 241 L C 2.975 179.729 176.870 -0.194 0.000 1.076 241 L CA 1.235 56.035 54.840 -0.067 0.000 0.749 241 L CB -1.184 40.883 42.059 0.014 0.000 0.893 241 L HN 0.465 nan 8.230 nan 0.000 0.432 242 C N -0.561 118.534 119.300 -0.342 0.000 2.413 242 C HA -0.184 4.284 4.460 0.013 0.000 0.276 242 C C 2.867 177.678 174.990 -0.298 0.000 1.236 242 C CA 0.564 59.333 59.018 -0.415 0.000 1.735 242 C CB -0.885 26.428 27.740 -0.711 0.000 2.031 242 C HN 0.470 nan 8.230 nan 0.000 0.474 243 R N 0.595 120.917 120.500 -0.295 0.000 2.083 243 R HA -0.154 4.194 4.340 0.013 0.000 0.237 243 R C 2.141 178.295 176.300 -0.243 0.000 1.137 243 R CA 1.542 57.491 56.100 -0.251 0.000 0.951 243 R CB -0.361 29.804 30.300 -0.225 0.000 0.851 243 R HN 0.660 nan 8.270 nan 0.000 0.434 244 E N -0.302 119.731 120.200 -0.278 0.000 2.106 244 E HA -0.197 4.161 4.350 0.013 0.000 0.192 244 E C 1.691 178.218 176.600 -0.120 0.000 0.984 244 E CA 1.061 57.370 56.400 -0.153 0.000 0.806 244 E CB -0.104 29.565 29.700 -0.051 0.000 0.750 244 E HN 0.226 nan 8.360 nan 0.000 0.458 245 F N 1.238 120.864 119.950 -0.540 0.000 2.084 245 F HA -0.180 4.355 4.527 0.013 0.000 0.296 245 F C 2.212 177.817 175.800 -0.325 0.000 1.111 245 F CA 1.302 58.864 58.000 -0.730 0.000 1.224 245 F CB -0.177 38.268 39.000 -0.925 0.000 0.991 245 F HN -0.090 nan 8.300 nan 0.000 0.471 246 M N 0.419 119.767 119.600 -0.421 0.000 2.088 246 M HA -0.271 4.217 4.480 0.013 0.000 0.256 246 M C 2.096 178.175 176.300 -0.369 0.000 1.071 246 M CA 2.153 57.194 55.300 -0.432 0.000 1.097 246 M CB -1.093 31.346 32.600 -0.269 0.000 1.315 246 M HN 0.325 nan 8.290 nan 0.000 0.406 247 E N -0.201 119.845 120.200 -0.256 0.000 2.006 247 E HA -0.019 4.339 4.350 0.013 0.000 0.192 247 E C 0.473 176.976 176.600 -0.161 0.000 0.993 247 E CA 0.997 57.293 56.400 -0.174 0.000 0.808 247 E CB 0.007 29.637 29.700 -0.117 0.000 0.764 247 E HN 0.406 nan 8.360 nan 0.000 0.449 248 A N 2.197 124.943 122.820 -0.123 0.000 2.399 248 A HA 0.397 4.725 4.320 0.013 0.000 0.327 248 A C -2.565 175.008 177.584 -0.019 0.000 1.367 248 A CA -1.569 50.435 52.037 -0.056 0.000 0.842 248 A CB 0.480 19.492 19.000 0.019 0.000 1.142 248 A HN -0.066 nan 8.150 nan 0.000 0.495 249 P HA 0.482 nan 4.420 nan 0.000 0.274 249 P C -0.087 177.368 177.300 0.258 0.000 1.237 249 P CA -0.146 62.865 63.100 -0.149 0.000 0.793 249 P CB 1.415 32.852 31.700 -0.439 0.000 0.977 250 S N 0.729 116.787 115.700 0.596 0.000 2.567 250 S HA 0.272 4.750 4.470 0.013 0.000 0.270 250 S C 0.074 175.000 174.600 0.542 0.000 1.152 250 S CA -0.535 57.923 58.200 0.430 0.000 0.835 250 S CB 0.465 63.804 63.200 0.232 0.000 1.115 250 S HN 0.195 nan 8.310 nan 0.000 0.459 251 L N 3.590 125.004 121.223 0.318 0.000 2.376 251 L HA 0.320 4.668 4.340 0.013 0.000 0.219 251 L C 2.312 179.335 176.870 0.255 0.000 1.133 251 L CA 2.200 57.229 54.840 0.314 0.000 0.816 251 L CB -0.833 41.320 42.059 0.156 0.000 0.933 251 L HN 0.953 nan 8.230 nan 0.000 0.449 252 G N -0.928 107.923 108.800 0.084 0.000 2.485 252 G HA2 -0.318 3.650 3.960 0.013 0.000 0.221 252 G HA3 -0.318 3.650 3.960 0.013 0.000 0.221 252 G C 1.344 176.128 174.900 -0.193 0.000 1.115 252 G CA 0.757 45.790 45.100 -0.111 0.000 0.751 252 G HN 0.444 nan 8.290 nan 0.000 0.567 253 F N -0.952 119.006 119.950 0.013 0.000 2.722 253 F HA 0.233 4.768 4.527 0.014 0.000 0.298 253 F C 1.505 176.968 175.800 -0.562 0.000 1.175 253 F CA 0.383 58.209 58.000 -0.290 0.000 1.462 253 F CB 0.055 38.912 39.000 -0.237 0.000 1.111 253 F HN 0.107 nan 8.300 nan 0.000 0.592 254 F N -0.817 119.143 119.950 0.017 0.000 2.784 254 F HA 0.211 4.746 4.527 0.014 0.000 0.323 254 F C 0.736 176.495 175.800 -0.068 0.000 1.085 254 F CA -0.343 57.640 58.000 -0.028 0.000 1.196 254 F CB 0.188 39.193 39.000 0.009 0.000 1.053 254 F HN -0.431 nan 8.300 nan 0.000 0.578 255 K N 2.324 122.760 120.400 0.060 0.000 2.201 255 K HA 0.324 4.653 4.320 0.013 0.000 0.278 255 K C -2.612 173.923 176.600 -0.107 0.000 1.027 255 K CA -1.743 54.526 56.287 -0.029 0.000 0.909 255 K CB 0.711 33.181 32.500 -0.051 0.000 1.062 255 K HN -0.216 nan 8.250 nan 0.000 0.465 256 P HA 0.059 nan 4.420 nan 0.000 0.276 256 P C -0.596 176.578 177.300 -0.210 0.000 1.243 256 P CA -0.398 62.624 63.100 -0.130 0.000 0.768 256 P CB 0.545 32.197 31.700 -0.081 0.000 0.856 257 K N 3.374 123.663 120.400 -0.185 0.000 2.448 257 K HA 0.024 4.352 4.320 0.013 0.000 0.278 257 K C -0.165 176.337 176.600 -0.164 0.000 1.009 257 K CA -0.023 56.144 56.287 -0.201 0.000 0.995 257 K CB 0.005 32.431 32.500 -0.123 0.000 0.917 257 K HN 0.592 nan 8.250 nan 0.000 0.481 258 H N 4.346 123.400 119.070 -0.027 0.000 3.004 258 H HA 0.006 4.571 4.556 0.014 0.000 0.316 258 H C -1.416 173.900 175.328 -0.019 0.000 1.014 258 H CA -1.262 54.775 56.048 -0.018 0.000 1.454 258 H CB 0.488 30.241 29.762 -0.015 0.000 1.472 258 H HN 0.432 nan 8.280 nan 0.000 0.571 259 P HA -0.126 nan 4.420 nan 0.000 0.227 259 P C -0.496 176.822 177.300 0.029 0.000 1.145 259 P CA 0.522 63.648 63.100 0.043 0.000 0.769 259 P CB 0.179 31.901 31.700 0.038 0.000 0.769 260 L N -0.507 120.742 121.223 0.044 0.000 2.827 260 L HA -0.173 4.175 4.340 0.013 0.000 0.637 260 L C -0.450 176.424 176.870 0.007 0.000 1.007 260 L CA 0.585 55.438 54.840 0.022 0.000 1.336 260 L CB -0.993 41.072 42.059 0.010 0.000 1.826 260 L HN 0.144 nan 8.230 nan 0.000 0.871 261 E N 4.947 125.148 120.200 0.002 0.000 2.089 261 E HA 0.530 4.888 4.350 0.013 0.000 0.284 261 E C -0.181 176.412 176.600 -0.011 0.000 1.023 261 E CA -0.609 55.787 56.400 -0.005 0.000 0.819 261 E CB 1.332 31.027 29.700 -0.008 0.000 1.076 261 E HN 0.353 nan 8.360 nan 0.000 0.396 262 I N 3.346 123.908 120.570 -0.015 0.000 2.460 262 I HA 0.037 4.215 4.170 0.013 0.000 0.298 262 I C 0.247 176.348 176.117 -0.027 0.000 0.989 262 I CA -0.704 60.581 61.300 -0.024 0.000 1.173 262 I CB 1.216 39.197 38.000 -0.032 0.000 1.338 262 I HN 0.424 nan 8.210 nan 0.000 0.456 263 E N 7.504 127.684 120.200 -0.034 0.000 2.366 263 E HA 0.178 4.536 4.350 0.013 0.000 0.266 263 E C -2.340 174.224 176.600 -0.061 0.000 1.051 263 E CA -1.473 54.907 56.400 -0.033 0.000 0.884 263 E CB 0.351 30.033 29.700 -0.030 0.000 1.006 263 E HN 0.317 nan 8.360 nan 0.000 0.417 264 P HA -0.244 nan 4.420 nan 0.000 0.218 264 P C 1.235 178.411 177.300 -0.208 0.000 1.154 264 P CA 2.032 65.092 63.100 -0.066 0.000 0.872 264 P CB 0.210 31.941 31.700 0.052 0.000 0.790 265 E N -0.646 119.481 120.200 -0.121 0.000 2.085 265 E HA -0.212 4.146 4.350 0.013 0.000 0.194 265 E C 2.206 178.709 176.600 -0.161 0.000 0.994 265 E CA 1.291 57.616 56.400 -0.125 0.000 0.801 265 E CB -0.472 29.190 29.700 -0.063 0.000 0.743 265 E HN 0.015 nan 8.360 nan 0.000 0.453 266 R N -0.691 119.725 120.500 -0.140 0.000 2.092 266 R HA -0.087 4.262 4.340 0.013 0.000 0.231 266 R C 2.107 178.296 176.300 -0.184 0.000 1.119 266 R CA 0.963 56.986 56.100 -0.128 0.000 0.970 266 R CB -0.268 29.980 30.300 -0.086 0.000 0.864 266 R HN 0.213 nan 8.270 nan 0.000 0.440 267 L N 1.221 122.281 121.223 -0.272 0.000 2.005 267 L HA -0.109 4.239 4.340 0.013 0.000 0.207 267 L C 2.512 179.053 176.870 -0.548 0.000 1.072 267 L CA 1.781 56.403 54.840 -0.363 0.000 0.744 267 L CB -0.709 41.110 42.059 -0.400 0.000 0.895 267 L HN 0.147 nan 8.230 nan 0.000 0.433 268 R N -0.668 119.303 120.500 -0.882 0.000 2.119 268 R HA -0.222 4.126 4.340 0.013 0.000 0.246 268 R C 2.337 178.489 176.300 -0.248 0.000 1.146 268 R CA 1.552 57.250 56.100 -0.670 0.000 0.962 268 R CB -0.132 29.877 30.300 -0.487 0.000 0.863 268 R HN 0.191 nan 8.270 nan 0.000 0.442 269 K N 0.614 120.896 120.400 -0.196 0.000 2.032 269 K HA -0.134 4.194 4.320 0.013 0.000 0.209 269 K C 2.108 178.664 176.600 -0.074 0.000 1.048 269 K CA 1.213 57.439 56.287 -0.101 0.000 0.927 269 K CB -0.316 32.133 32.500 -0.084 0.000 0.712 269 K HN 0.238 nan 8.250 nan 0.000 0.441 270 I N 0.902 121.418 120.570 -0.090 0.000 2.127 270 I HA -0.251 3.927 4.170 0.013 0.000 0.241 270 I C 2.459 178.563 176.117 -0.022 0.000 1.075 270 I CA 1.090 62.359 61.300 -0.051 0.000 1.334 270 I CB -1.109 36.859 38.000 -0.054 0.000 1.040 270 I HN -0.110 nan 8.210 nan 0.000 0.405 271 V N 1.810 121.708 119.914 -0.026 0.000 2.343 271 V HA -0.247 3.881 4.120 0.013 0.000 0.247 271 V C 2.639 178.765 176.094 0.054 0.000 1.051 271 V CA 2.093 64.421 62.300 0.046 0.000 1.036 271 V CB -0.819 31.083 31.823 0.131 0.000 0.654 271 V HN 0.572 nan 8.190 nan 0.000 0.451 272 E N 0.337 120.555 120.200 0.030 0.000 2.106 272 E HA -0.278 4.081 4.350 0.013 0.000 0.192 272 E C 1.938 178.555 176.600 0.029 0.000 0.984 272 E CA 1.652 58.075 56.400 0.038 0.000 0.806 272 E CB -0.310 29.406 29.700 0.027 0.000 0.750 272 E HN 0.695 nan 8.360 nan 0.000 0.458 273 E N 0.589 120.797 120.200 0.014 0.000 2.106 273 E HA -0.091 4.268 4.350 0.013 0.000 0.192 273 E C 2.278 178.892 176.600 0.023 0.000 0.984 273 E CA 0.770 57.178 56.400 0.013 0.000 0.806 273 E CB 0.046 29.747 29.700 0.002 0.000 0.750 273 E HN 0.212 nan 8.360 nan 0.000 0.458 274 R N -0.799 119.718 120.500 0.029 0.000 2.148 274 R HA -0.051 4.297 4.340 0.013 0.000 0.227 274 R C 1.410 177.740 176.300 0.049 0.000 1.103 274 R CA 0.791 56.914 56.100 0.039 0.000 0.983 274 R CB -0.013 30.314 30.300 0.045 0.000 0.874 274 R HN 0.313 nan 8.270 nan 0.000 0.451 275 G N 0.979 109.812 108.800 0.055 0.000 2.155 275 G HA2 -0.315 3.654 3.960 0.013 0.000 0.257 275 G HA3 -0.315 3.654 3.960 0.013 0.000 0.257 275 G C 0.331 175.276 174.900 0.076 0.000 0.983 275 G CA 0.730 45.867 45.100 0.061 0.000 0.676 275 G HN 0.493 nan 8.290 nan 0.000 0.528 276 T N -2.004 112.602 114.554 0.087 0.000 2.824 276 T HA 0.761 5.119 4.350 0.013 0.000 0.277 276 T C 0.387 175.164 174.700 0.128 0.000 0.975 276 T CA 0.209 62.372 62.100 0.105 0.000 0.966 276 T CB 2.136 71.067 68.868 0.105 0.000 1.054 276 T HN 1.648 nan 8.240 nan 0.000 0.533 277 A N 1.019 123.931 122.820 0.154 0.000 2.249 277 A HA 0.635 4.963 4.320 0.013 0.000 0.314 277 A C -0.497 177.240 177.584 0.254 0.000 1.290 277 A CA -0.734 51.424 52.037 0.201 0.000 0.893 277 A CB 0.133 19.252 19.000 0.198 0.000 1.165 277 A HN 0.745 nan 8.150 nan 0.000 0.530 278 V N 4.055 124.111 119.914 0.235 0.000 2.444 278 V HA 0.740 4.868 4.120 0.013 0.000 0.294 278 V C -0.654 175.559 176.094 0.198 0.000 1.022 278 V CA -0.318 62.073 62.300 0.151 0.000 0.850 278 V CB 0.490 32.393 31.823 0.135 0.000 0.992 278 V HN 0.889 nan 8.190 nan 0.000 0.426 279 F N 2.494 122.490 119.950 0.078 0.000 2.713 279 F HA 0.988 5.523 4.527 0.014 0.000 0.311 279 F C -0.479 175.407 175.800 0.142 0.000 1.141 279 F CA -1.129 56.907 58.000 0.060 0.000 0.939 279 F CB 1.427 40.456 39.000 0.049 0.000 1.325 279 F HN 0.610 nan 8.300 nan 0.000 0.453 280 A N 1.006 123.993 122.820 0.279 0.000 2.423 280 A HA 0.816 5.144 4.320 0.013 0.000 0.304 280 A C -1.720 176.110 177.584 0.410 0.000 1.104 280 A CA -1.002 51.192 52.037 0.263 0.000 0.757 280 A CB 1.775 20.897 19.000 0.204 0.000 1.313 280 A HN 0.868 nan 8.150 nan 0.000 0.423 281 V N 2.433 122.597 119.914 0.417 0.000 2.350 281 V HA 0.377 4.505 4.120 0.013 0.000 0.276 281 V C 0.208 176.513 176.094 0.352 0.000 1.028 281 V CA -0.408 62.132 62.300 0.400 0.000 0.860 281 V CB 1.071 33.116 31.823 0.371 0.000 0.990 281 V HN 0.823 nan 8.190 nan 0.000 0.453 282 K N 6.426 126.972 120.400 0.244 0.000 2.244 282 K HA 0.697 5.025 4.320 0.013 0.000 0.260 282 K C -1.373 175.300 176.600 0.122 0.000 0.951 282 K CA -0.367 55.878 56.287 -0.071 0.000 0.826 282 K CB 1.559 33.945 32.500 -0.190 0.000 1.108 282 K HN 0.586 nan 8.250 nan 0.000 0.433 283 F N -0.332 119.594 119.950 -0.041 0.000 2.711 283 F HA 0.494 5.029 4.527 0.013 0.000 0.313 283 F C -0.801 175.143 175.800 0.240 0.000 1.141 283 F CA -1.447 56.629 58.000 0.126 0.000 0.941 283 F CB 0.846 39.901 39.000 0.091 0.000 1.349 283 F HN 0.343 nan 8.300 nan 0.000 0.464 284 R N 1.927 122.675 120.500 0.413 0.000 2.442 284 R HA 0.173 4.521 4.340 0.013 0.000 0.291 284 R C -0.286 176.051 176.300 0.061 0.000 1.069 284 R CA -0.468 55.732 56.100 0.167 0.000 1.022 284 R CB 0.685 31.069 30.300 0.140 0.000 0.976 284 R HN 0.750 nan 8.270 nan 0.000 0.443 285 K N 6.164 126.490 120.400 -0.123 0.000 2.412 285 K HA 0.112 4.440 4.320 0.013 0.000 0.284 285 K C -1.980 174.599 176.600 -0.034 0.000 1.046 285 K CA -1.337 54.886 56.287 -0.106 0.000 0.999 285 K CB 0.594 33.001 32.500 -0.154 0.000 0.941 285 K HN 0.365 nan 8.250 nan 0.000 0.474 286 P HA 0.015 nan 4.420 nan 0.000 0.275 286 P C -0.829 176.459 177.300 -0.020 0.000 1.227 286 P CA -0.244 62.863 63.100 0.013 0.000 0.781 286 P CB 0.704 32.427 31.700 0.037 0.000 0.906 287 D N 3.021 123.405 120.400 -0.025 0.000 2.541 287 D HA 0.165 4.813 4.640 0.013 0.000 0.231 287 D C 0.077 176.360 176.300 -0.028 0.000 1.163 287 D CA 0.029 54.009 54.000 -0.033 0.000 1.077 287 D CB -1.151 39.628 40.800 -0.036 0.000 1.110 287 D HN 0.308 nan 8.370 nan 0.000 0.499 288 I N -1.220 119.335 120.570 -0.025 0.000 2.969 288 I HA 0.528 4.706 4.170 0.013 0.000 0.307 288 I C 0.222 176.338 176.117 -0.000 0.000 1.149 288 I CA -1.440 59.849 61.300 -0.018 0.000 1.008 288 I CB 1.616 39.607 38.000 -0.015 0.000 1.232 288 I HN -0.124 nan 8.210 nan 0.000 0.435 289 V N -0.160 119.766 119.914 0.019 0.000 3.237 289 V HA 0.158 4.286 4.120 0.013 0.000 0.305 289 V C 0.776 176.931 176.094 0.101 0.000 1.096 289 V CA 0.276 62.616 62.300 0.065 0.000 1.130 289 V CB 0.455 32.333 31.823 0.090 0.000 1.048 289 V HN 0.893 nan 8.190 nan 0.000 0.484 290 D N 1.339 121.842 120.400 0.172 0.000 2.123 290 D HA -0.146 4.502 4.640 0.013 0.000 0.196 290 D C 1.636 178.145 176.300 0.347 0.000 0.992 290 D CA 2.297 56.484 54.000 0.311 0.000 0.833 290 D CB -0.262 40.758 40.800 0.367 0.000 0.954 290 D HN 0.932 nan 8.370 nan 0.000 0.455 291 D N -0.366 120.203 120.400 0.281 0.000 2.348 291 D HA -0.047 4.601 4.640 0.013 0.000 0.216 291 D C 1.295 177.708 176.300 0.189 0.000 0.970 291 D CA 0.464 54.663 54.000 0.330 0.000 0.889 291 D CB -0.018 40.975 40.800 0.322 0.000 0.912 291 D HN 0.116 nan 8.370 nan 0.000 0.524 292 N N -0.174 118.593 118.700 0.111 0.000 2.388 292 N HA 0.045 4.793 4.740 0.013 0.000 0.176 292 N C 1.322 176.818 175.510 -0.023 0.000 1.062 292 N CA 0.079 53.146 53.050 0.029 0.000 0.895 292 N CB 0.278 38.781 38.487 0.027 0.000 1.018 292 N HN 0.155 nan 8.380 nan 0.000 0.456 293 L N -0.211 120.996 121.223 -0.026 0.000 2.121 293 L HA 0.140 4.488 4.340 0.013 0.000 0.200 293 L C 1.676 178.410 176.870 -0.227 0.000 1.077 293 L CA 1.431 56.178 54.840 -0.154 0.000 0.766 293 L CB -0.989 40.916 42.059 -0.257 0.000 0.931 293 L HN -0.018 nan 8.230 nan 0.000 0.452 294 Y N 0.475 120.760 120.300 -0.025 0.000 2.165 294 Y HA -0.166 4.393 4.550 0.014 0.000 0.286 294 Y C -0.346 175.436 175.900 -0.195 0.000 1.155 294 Y CA 2.134 60.196 58.100 -0.062 0.000 1.164 294 Y CB -2.017 36.526 38.460 0.137 0.000 0.978 294 Y HN 0.312 nan 8.280 nan 0.000 0.513 295 P HA -0.158 nan 4.420 nan 0.000 0.218 295 P C 1.077 178.267 177.300 -0.184 0.000 1.149 295 P CA 1.663 64.630 63.100 -0.222 0.000 0.817 295 P CB -0.007 31.440 31.700 -0.421 0.000 0.785 296 Q N -0.774 118.924 119.800 -0.169 0.000 2.123 296 Q HA -0.031 4.317 4.340 0.013 0.000 0.199 296 Q C 2.147 178.039 176.000 -0.179 0.000 0.966 296 Q CA 0.936 56.657 55.803 -0.137 0.000 0.845 296 Q CB -0.593 28.088 28.738 -0.096 0.000 0.907 296 Q HN 0.268 nan 8.270 nan 0.000 0.439 297 L N 0.514 121.553 121.223 -0.307 0.000 2.265 297 L HA -0.197 4.152 4.340 0.013 0.000 0.215 297 L C 2.137 178.640 176.870 -0.611 0.000 1.117 297 L CA 0.987 55.541 54.840 -0.478 0.000 0.782 297 L CB -0.166 41.396 42.059 -0.829 0.000 0.914 297 L HN 0.302 nan 8.230 nan 0.000 0.441 298 E N -0.420 119.482 120.200 -0.496 0.000 2.216 298 E HA -0.165 4.193 4.350 0.013 0.000 0.192 298 E C 2.247 178.813 176.600 -0.057 0.000 0.988 298 E CA 0.215 56.475 56.400 -0.234 0.000 0.834 298 E CB 0.248 29.896 29.700 -0.087 0.000 0.772 298 E HN 0.260 nan 8.360 nan 0.000 0.479 299 R N -0.189 120.270 120.500 -0.067 0.000 2.092 299 R HA -0.195 4.153 4.340 0.013 0.000 0.226 299 R C 1.407 177.743 176.300 0.060 0.000 1.140 299 R CA 1.795 57.892 56.100 -0.004 0.000 0.910 299 R CB -0.172 30.114 30.300 -0.023 0.000 0.822 299 R HN 0.175 nan 8.270 nan 0.000 0.433 300 A N -1.316 121.552 122.820 0.080 0.000 3.436 300 A HA -0.323 4.005 4.320 0.013 0.000 0.280 300 A C 1.696 179.384 177.584 0.174 0.000 2.214 300 A CA 1.559 53.633 52.037 0.061 0.000 0.911 300 A CB -2.422 16.568 19.000 -0.017 0.000 1.300 300 A HN 0.507 nan 8.150 nan 0.000 0.567 301 S N 0.058 115.859 115.700 0.168 0.000 2.383 301 S HA -0.169 4.309 4.470 0.013 0.000 0.227 301 S C 2.042 176.870 174.600 0.380 0.000 1.026 301 S CA 1.982 60.368 58.200 0.310 0.000 0.981 301 S CB -0.335 63.003 63.200 0.231 0.000 0.818 301 S HN 0.750 nan 8.310 nan 0.000 0.472 302 R N 0.231 120.871 120.500 0.234 0.000 2.075 302 R HA 0.054 4.403 4.340 0.013 0.000 0.226 302 R C 2.071 178.523 176.300 0.253 0.000 1.114 302 R CA 0.960 57.194 56.100 0.223 0.000 0.972 302 R CB -0.106 30.268 30.300 0.123 0.000 0.869 302 R HN 0.210 nan 8.270 nan 0.000 0.437 303 K N 0.624 121.142 120.400 0.198 0.000 2.097 303 K HA -0.072 4.256 4.320 0.013 0.000 0.205 303 K C 2.054 178.697 176.600 0.071 0.000 1.050 303 K CA 1.068 57.455 56.287 0.166 0.000 0.938 303 K CB -0.150 32.473 32.500 0.204 0.000 0.718 303 K HN 0.308 nan 8.250 nan 0.000 0.442 304 I N 0.041 120.680 120.570 0.115 0.000 2.439 304 I HA -0.220 3.958 4.170 0.013 0.000 0.251 304 I C 2.221 178.286 176.117 -0.086 0.000 1.139 304 I CA 0.719 61.953 61.300 -0.110 0.000 1.438 304 I CB -0.224 37.728 38.000 -0.080 0.000 1.085 304 I HN -0.050 nan 8.210 nan 0.000 0.427 305 F N 2.001 121.975 119.950 0.040 0.000 2.134 305 F HA -0.215 4.320 4.527 0.013 0.000 0.299 305 F C 2.371 178.180 175.800 0.015 0.000 1.097 305 F CA 1.785 59.841 58.000 0.094 0.000 1.264 305 F CB -0.081 39.058 39.000 0.232 0.000 1.001 305 F HN 0.019 nan 8.300 nan 0.000 0.479 306 E N -0.578 119.717 120.200 0.158 0.000 2.150 306 E HA -0.206 4.152 4.350 0.013 0.000 0.193 306 E C 2.002 178.523 176.600 -0.132 0.000 0.985 306 E CA 1.254 57.673 56.400 0.030 0.000 0.814 306 E CB -0.461 29.291 29.700 0.087 0.000 0.752 306 E HN 0.543 nan 8.360 nan 0.000 0.466 307 F N 1.495 121.214 119.950 -0.385 0.000 2.095 307 F HA -0.207 4.328 4.527 0.013 0.000 0.298 307 F C 1.826 177.428 175.800 -0.329 0.000 1.104 307 F CA 1.343 59.026 58.000 -0.529 0.000 1.232 307 F CB -0.170 38.151 39.000 -1.132 0.000 0.987 307 F HN -0.087 nan 8.300 nan 0.000 0.475 308 L N 0.528 121.562 121.223 -0.316 0.000 2.042 308 L HA -0.234 4.114 4.340 0.013 0.000 0.210 308 L C 2.625 179.309 176.870 -0.309 0.000 1.076 308 L CA 2.081 56.755 54.840 -0.278 0.000 0.749 308 L CB -0.888 41.029 42.059 -0.237 0.000 0.893 308 L HN 0.365 nan 8.230 nan 0.000 0.432 309 E N 0.702 120.683 120.200 -0.365 0.000 2.072 309 E HA -0.267 4.091 4.350 0.013 0.000 0.190 309 E C 2.085 178.535 176.600 -0.249 0.000 0.982 309 E CA 1.059 57.289 56.400 -0.284 0.000 0.803 309 E CB -0.449 29.107 29.700 -0.240 0.000 0.755 309 E HN 0.513 nan 8.360 nan 0.000 0.453 310 R N 0.886 121.227 120.500 -0.266 0.000 2.316 310 R HA -0.023 4.325 4.340 0.013 0.000 0.202 310 R C 1.121 177.222 176.300 -0.332 0.000 1.029 310 R CA 1.154 57.111 56.100 -0.237 0.000 1.018 310 R CB 0.090 30.283 30.300 -0.177 0.000 0.888 310 R HN 0.052 nan 8.270 nan 0.000 0.471 311 E N 1.013 120.934 120.200 -0.465 0.000 2.476 311 E HA 0.086 4.444 4.350 0.013 0.000 0.196 311 E C -0.716 175.487 176.600 -0.663 0.000 1.029 311 E CA -0.052 56.017 56.400 -0.552 0.000 0.896 311 E CB -0.011 29.257 29.700 -0.721 0.000 1.012 311 E HN 0.480 nan 8.360 nan 0.000 0.475 312 N N -0.947 117.476 118.700 -0.461 0.000 2.747 312 N HA -0.222 4.526 4.740 0.013 0.000 0.249 312 N C -0.327 174.913 175.510 -0.450 0.000 1.107 312 N CA 0.553 53.364 53.050 -0.398 0.000 0.707 312 N CB -1.355 36.925 38.487 -0.345 0.000 1.054 312 N HN 0.138 nan 8.380 nan 0.000 0.555 313 F N 0.090 119.949 119.950 -0.153 0.000 2.765 313 F HA 0.335 4.870 4.527 0.013 0.000 0.302 313 F C 1.030 176.781 175.800 -0.083 0.000 1.111 313 F CA -0.016 57.924 58.000 -0.100 0.000 1.359 313 F CB 0.021 38.956 39.000 -0.108 0.000 1.097 313 F HN 0.075 nan 8.300 nan 0.000 0.577 314 M N 1.142 120.745 119.600 0.004 0.000 2.852 314 M HA -0.168 4.320 4.480 0.013 0.000 0.176 314 M C -2.512 173.790 176.300 0.004 0.000 1.160 314 M CA -0.282 55.011 55.300 -0.013 0.000 0.702 314 M CB -1.511 31.098 32.600 0.016 0.000 1.193 314 M HN -0.139 nan 8.290 nan 0.000 0.775 315 P HA 0.123 nan 4.420 nan 0.000 0.272 315 P C 0.217 177.581 177.300 0.106 0.000 1.223 315 P CA -0.033 63.022 63.100 -0.075 0.000 0.784 315 P CB 1.008 32.402 31.700 -0.509 0.000 0.923 316 L N 0.988 122.348 121.223 0.229 0.000 2.262 316 L HA 0.242 4.590 4.340 0.013 0.000 0.197 316 L C 1.522 178.584 176.870 0.320 0.000 1.073 316 L CA 0.884 55.866 54.840 0.237 0.000 0.800 316 L CB -0.068 42.081 42.059 0.150 0.000 0.987 316 L HN 0.395 nan 8.230 nan 0.000 0.470 317 R N -1.442 119.258 120.500 0.332 0.000 2.766 317 R HA 0.470 4.818 4.340 0.013 0.000 0.270 317 R C -1.326 175.111 176.300 0.229 0.000 1.035 317 R CA -0.372 55.851 56.100 0.205 0.000 0.911 317 R CB 2.304 32.636 30.300 0.053 0.000 1.243 317 R HN 0.120 nan 8.270 nan 0.000 0.460 318 S N -0.218 115.493 115.700 0.018 0.000 2.627 318 S HA 0.954 5.432 4.470 0.013 0.000 0.283 318 S C -1.272 173.220 174.600 -0.179 0.000 1.127 318 S CA -0.558 57.583 58.200 -0.098 0.000 0.863 318 S CB 2.560 65.761 63.200 0.002 0.000 1.121 318 S HN 0.817 nan 8.310 nan 0.000 0.479 319 A N 0.621 123.286 122.820 -0.259 0.000 2.599 319 A HA 0.896 5.224 4.320 0.013 0.000 0.290 319 A C -1.615 175.883 177.584 -0.143 0.000 1.101 319 A CA -0.910 50.977 52.037 -0.251 0.000 0.674 319 A CB 0.846 19.698 19.000 -0.247 0.000 1.277 319 A HN 1.861 nan 8.150 nan 0.000 0.419 320 F N -1.207 118.713 119.950 -0.050 0.000 2.631 320 F HA 0.887 5.422 4.527 0.013 0.000 0.308 320 F C -0.797 175.054 175.800 0.085 0.000 1.097 320 F CA -0.950 57.059 58.000 0.015 0.000 0.952 320 F CB 1.782 40.810 39.000 0.047 0.000 1.307 320 F HN 0.503 nan 8.300 nan 0.000 0.450 321 K N 1.920 122.525 120.400 0.342 0.000 2.468 321 K HA 0.794 5.122 4.320 0.013 0.000 0.252 321 K C -1.736 175.055 176.600 0.319 0.000 0.932 321 K CA -0.700 55.758 56.287 0.285 0.000 0.794 321 K CB 2.188 34.780 32.500 0.153 0.000 1.241 321 K HN 1.092 nan 8.250 nan 0.000 0.428 322 A N 2.522 125.507 122.820 0.276 0.000 2.288 322 A HA 0.631 4.959 4.320 0.013 0.000 0.320 322 A C -0.425 177.263 177.584 0.173 0.000 1.217 322 A CA -0.394 51.736 52.037 0.155 0.000 0.840 322 A CB 1.051 20.076 19.000 0.040 0.000 1.179 322 A HN 0.641 nan 8.150 nan 0.000 0.504 323 S N 0.137 115.928 115.700 0.152 0.000 2.768 323 S HA 0.309 4.787 4.470 0.013 0.000 0.300 323 S C 1.094 175.732 174.600 0.064 0.000 1.122 323 S CA -0.628 57.661 58.200 0.149 0.000 0.995 323 S CB 0.746 64.099 63.200 0.255 0.000 1.195 323 S HN 0.778 nan 8.310 nan 0.000 0.547 324 E N 1.696 121.927 120.200 0.052 0.000 2.026 324 E HA -0.209 4.149 4.350 0.013 0.000 0.206 324 E C 1.588 178.135 176.600 -0.088 0.000 1.028 324 E CA 1.734 58.131 56.400 -0.006 0.000 0.845 324 E CB -0.130 29.570 29.700 -0.000 0.000 0.772 324 E HN 0.731 nan 8.360 nan 0.000 0.462 325 E N -0.837 119.259 120.200 -0.173 0.000 2.473 325 E HA 0.085 4.443 4.350 0.013 0.000 0.204 325 E C 0.242 176.400 176.600 -0.737 0.000 0.994 325 E CA 0.025 56.146 56.400 -0.464 0.000 0.945 325 E CB 0.268 29.606 29.700 -0.604 0.000 0.990 325 E HN 0.077 nan 8.360 nan 0.000 0.493 326 F N 0.106 119.986 119.950 -0.116 0.000 2.620 326 F HA 0.489 5.024 4.527 0.013 0.000 0.320 326 F C -0.328 175.191 175.800 -0.468 0.000 1.069 326 F CA -1.050 56.755 58.000 -0.325 0.000 0.953 326 F CB 1.874 40.631 39.000 -0.405 0.000 1.322 326 F HN -0.138 nan 8.300 nan 0.000 0.479 327 C N 0.789 119.704 119.300 -0.641 0.000 2.614 327 C HA 0.698 5.167 4.460 0.013 0.000 0.320 327 C C -1.414 172.999 174.990 -0.962 0.000 1.200 327 C CA -1.190 57.386 59.018 -0.736 0.000 1.700 327 C CB 1.256 28.428 27.740 -0.947 0.000 2.275 327 C HN 0.645 nan 8.230 nan 0.000 0.492 328 Y N 1.475 121.671 120.300 -0.174 0.000 2.346 328 Y HA 0.584 5.142 4.550 0.013 0.000 0.332 328 Y C -0.216 175.726 175.900 0.070 0.000 0.985 328 Y CA -0.673 57.408 58.100 -0.032 0.000 1.112 328 Y CB 0.815 39.264 38.460 -0.018 0.000 1.170 328 Y HN 0.383 nan 8.280 nan 0.000 0.447 329 L N 5.426 126.810 121.223 0.269 0.000 2.257 329 L HA 0.502 4.850 4.340 0.013 0.000 0.290 329 L C -0.787 175.981 176.870 -0.169 0.000 1.044 329 L CA -0.508 54.400 54.840 0.114 0.000 0.810 329 L CB 0.760 43.005 42.059 0.309 0.000 1.193 329 L HN 0.503 nan 8.230 nan 0.000 0.425 330 L N 4.200 125.152 121.223 -0.451 0.000 2.295 330 L HA 0.567 4.915 4.340 0.013 0.000 0.285 330 L C -0.764 175.582 176.870 -0.873 0.000 1.035 330 L CA -0.110 54.452 54.840 -0.464 0.000 0.806 330 L CB 1.086 43.001 42.059 -0.240 0.000 1.214 330 L HN 0.336 nan 8.230 nan 0.000 0.426 331 F N 0.922 120.642 119.950 -0.383 0.000 2.588 331 F HA 0.520 5.054 4.527 0.013 0.000 0.310 331 F C -0.144 175.409 175.800 -0.412 0.000 1.082 331 F CA -0.748 56.997 58.000 -0.425 0.000 0.929 331 F CB 2.026 40.624 39.000 -0.669 0.000 1.254 331 F HN 0.344 nan 8.300 nan 0.000 0.455 332 E N 1.858 122.090 120.200 0.053 0.000 2.246 332 E HA 0.645 5.003 4.350 0.013 0.000 0.266 332 E C -1.849 174.839 176.600 0.147 0.000 0.880 332 E CA -0.422 56.027 56.400 0.081 0.000 0.762 332 E CB 1.547 31.295 29.700 0.079 0.000 1.180 332 E HN 0.760 nan 8.360 nan 0.000 0.416 333 C N 3.098 122.498 119.300 0.166 0.000 2.614 333 C HA 0.302 4.770 4.460 0.013 0.000 0.320 333 C C 1.224 176.300 174.990 0.143 0.000 1.200 333 C CA -0.562 58.552 59.018 0.160 0.000 1.700 333 C CB 1.757 29.613 27.740 0.194 0.000 2.275 333 C HN 0.866 nan 8.230 nan 0.000 0.492 334 Q N 0.503 120.377 119.800 0.124 0.000 2.331 334 Q HA 0.132 4.480 4.340 0.013 0.000 0.203 334 Q C -0.003 176.066 176.000 0.116 0.000 0.944 334 Q CA 0.873 56.739 55.803 0.104 0.000 0.892 334 Q CB 0.210 28.996 28.738 0.080 0.000 0.983 334 Q HN 0.573 nan 8.270 nan 0.000 0.482 335 I N 1.300 121.965 120.570 0.159 0.000 2.330 335 I HA 0.123 4.301 4.170 0.013 0.000 0.289 335 I C 0.697 176.938 176.117 0.208 0.000 1.001 335 I CA 0.005 61.418 61.300 0.188 0.000 1.193 335 I CB 1.460 39.598 38.000 0.230 0.000 1.345 335 I HN 0.036 nan 8.210 nan 0.000 0.461 336 K N 3.489 123.977 120.400 0.146 0.000 2.186 336 K HA 0.093 4.422 4.320 0.013 0.000 0.202 336 K C 0.476 177.144 176.600 0.112 0.000 1.052 336 K CA 0.725 57.076 56.287 0.106 0.000 0.965 336 K CB 0.632 33.184 32.500 0.087 0.000 0.746 336 K HN 0.540 nan 8.250 nan 0.000 0.457 337 E N 0.580 120.871 120.200 0.153 0.000 2.304 337 E HA 0.309 4.667 4.350 0.013 0.000 0.277 337 E C -1.788 174.920 176.600 0.180 0.000 0.898 337 E CA -0.384 56.119 56.400 0.172 0.000 0.764 337 E CB 1.815 31.581 29.700 0.111 0.000 1.216 337 E HN -0.012 nan 8.360 nan 0.000 0.419 338 I N 2.051 122.754 120.570 0.221 0.000 2.947 338 I HA 0.399 4.577 4.170 0.013 0.000 0.314 338 I C 0.128 176.309 176.117 0.105 0.000 1.028 338 I CA -0.466 60.906 61.300 0.121 0.000 1.077 338 I CB 1.667 39.680 38.000 0.020 0.000 1.274 338 I HN 0.666 nan 8.210 nan 0.000 0.485 339 S N 3.866 119.609 115.700 0.070 0.000 2.600 339 S HA 0.238 4.716 4.470 0.013 0.000 0.265 339 S C 0.894 175.556 174.600 0.102 0.000 1.325 339 S CA -0.317 57.925 58.200 0.071 0.000 1.002 339 S CB 1.450 64.677 63.200 0.045 0.000 0.921 339 S HN 0.757 nan 8.310 nan 0.000 0.554 340 R N 0.531 121.089 120.500 0.097 0.000 2.062 340 R HA 0.038 4.386 4.340 0.013 0.000 0.229 340 R C 0.838 177.244 176.300 0.177 0.000 1.128 340 R CA 1.301 57.476 56.100 0.124 0.000 0.960 340 R CB -0.784 29.578 30.300 0.103 0.000 0.855 340 R HN 0.774 nan 8.270 nan 0.000 0.432 341 V N -0.495 119.489 119.914 0.116 0.000 2.881 341 V HA 0.452 4.580 4.120 0.013 0.000 0.303 341 V C -0.235 176.019 176.094 0.267 0.000 1.070 341 V CA -0.686 61.682 62.300 0.113 0.000 1.074 341 V CB 0.798 32.568 31.823 -0.090 0.000 1.012 341 V HN 0.253 nan 8.190 nan 0.000 0.482 342 F N 0.840 120.890 119.950 0.166 0.000 2.711 342 F HA 0.825 5.360 4.527 0.014 0.000 0.313 342 F C -0.517 175.438 175.800 0.259 0.000 1.141 342 F CA -1.602 56.497 58.000 0.165 0.000 0.941 342 F CB 1.507 40.554 39.000 0.077 0.000 1.349 342 F HN 0.588 nan 8.300 nan 0.000 0.464 343 R N 1.569 122.274 120.500 0.342 0.000 2.368 343 R HA 0.612 4.960 4.340 0.013 0.000 0.302 343 R C -1.002 175.513 176.300 0.359 0.000 1.002 343 R CA -0.902 55.338 56.100 0.234 0.000 0.929 343 R CB 1.931 32.374 30.300 0.239 0.000 1.073 343 R HN 0.829 nan 8.270 nan 0.000 0.464 344 R N 2.722 123.371 120.500 0.249 0.000 2.494 344 R HA 0.287 4.635 4.340 0.013 0.000 0.305 344 R C -0.532 175.905 176.300 0.228 0.000 0.959 344 R CA -0.532 55.744 56.100 0.293 0.000 0.864 344 R CB 1.516 31.942 30.300 0.210 0.000 1.159 344 R HN 0.626 nan 8.270 nan 0.000 0.446 345 M N 4.351 123.927 119.600 -0.041 0.000 2.184 345 M HA 0.268 4.756 4.480 0.013 0.000 0.351 345 M C -0.101 175.804 176.300 -0.658 0.000 1.395 345 M CA 0.124 54.960 55.300 -0.772 0.000 1.117 345 M CB 0.850 32.975 32.600 -0.792 0.000 1.708 345 M HN 0.909 nan 8.290 nan 0.000 0.468 346 G N 5.395 113.555 108.800 -1.067 0.000 2.606 346 G HA2 0.668 4.636 3.960 0.013 0.000 0.262 346 G HA3 0.668 4.636 3.960 0.013 0.000 0.262 346 G C -2.917 171.440 174.900 -0.905 0.000 1.394 346 G CA -0.957 43.209 45.100 -1.557 0.000 1.044 346 G HN 0.494 nan 8.290 nan 0.000 0.553 347 P HA 0.219 nan 4.420 nan 0.000 0.278 347 P C -0.734 176.462 177.300 -0.174 0.000 1.258 347 P CA -0.416 62.474 63.100 -0.349 0.000 0.811 347 P CB 1.078 32.628 31.700 -0.250 0.000 1.063 348 Q N -0.042 119.681 119.800 -0.128 0.000 2.392 348 Q HA 0.064 4.412 4.340 0.013 0.000 0.262 348 Q C 1.116 177.131 176.000 0.025 0.000 1.003 348 Q CA -0.020 55.747 55.803 -0.060 0.000 0.888 348 Q CB 0.045 28.700 28.738 -0.139 0.000 1.260 348 Q HN 0.484 nan 8.270 nan 0.000 0.435 349 F N 1.184 121.169 119.950 0.059 0.000 2.250 349 F HA -0.178 4.357 4.527 0.013 0.000 0.301 349 F C 1.289 177.163 175.800 0.123 0.000 1.077 349 F CA 1.191 59.287 58.000 0.160 0.000 1.348 349 F CB -0.171 38.839 39.000 0.016 0.000 1.040 349 F HN 0.530 nan 8.300 nan 0.000 0.509 350 E N 0.304 120.076 120.200 -0.714 0.000 2.150 350 E HA -0.200 4.158 4.350 0.013 0.000 0.193 350 E C 0.334 176.828 176.600 -0.176 0.000 0.985 350 E CA 1.028 57.123 56.400 -0.507 0.000 0.814 350 E CB -0.835 28.525 29.700 -0.567 0.000 0.752 350 E HN 0.435 nan 8.360 nan 0.000 0.466 351 D N 2.274 122.592 120.400 -0.138 0.000 2.541 351 D HA -0.051 4.597 4.640 0.013 0.000 0.231 351 D C 1.237 177.516 176.300 -0.035 0.000 1.163 351 D CA 0.014 53.964 54.000 -0.082 0.000 1.077 351 D CB 0.032 40.777 40.800 -0.092 0.000 1.110 351 D HN 0.301 nan 8.370 nan 0.000 0.499 352 E N 2.403 122.594 120.200 -0.015 0.000 2.160 352 E HA -0.261 4.097 4.350 0.013 0.000 0.195 352 E C 1.718 178.310 176.600 -0.013 0.000 0.991 352 E CA 0.709 57.115 56.400 0.010 0.000 0.810 352 E CB 0.103 29.819 29.700 0.027 0.000 0.742 352 E HN 0.295 nan 8.360 nan 0.000 0.466 353 R N 0.288 120.774 120.500 -0.023 0.000 2.066 353 R HA -0.021 4.328 4.340 0.013 0.000 0.232 353 R C 2.136 178.415 176.300 -0.034 0.000 1.131 353 R CA 1.650 57.734 56.100 -0.026 0.000 0.955 353 R CB -0.042 30.243 30.300 -0.025 0.000 0.851 353 R HN 0.273 nan 8.270 nan 0.000 0.432 354 N N -0.062 118.613 118.700 -0.041 0.000 2.396 354 N HA -0.105 4.644 4.740 0.013 0.000 0.180 354 N C 1.658 177.136 175.510 -0.053 0.000 1.028 354 N CA 0.885 53.909 53.050 -0.044 0.000 0.893 354 N CB 0.198 38.648 38.487 -0.062 0.000 0.967 354 N HN 0.078 nan 8.380 nan 0.000 0.440 355 V N 1.804 121.670 119.914 -0.080 0.000 2.358 355 V HA -0.182 3.946 4.120 0.013 0.000 0.246 355 V C 2.358 178.362 176.094 -0.150 0.000 1.047 355 V CA 1.411 63.613 62.300 -0.162 0.000 1.035 355 V CB -0.307 31.429 31.823 -0.146 0.000 0.658 355 V HN 0.236 nan 8.190 nan 0.000 0.452 356 K N 0.104 120.449 120.400 -0.092 0.000 2.026 356 K HA -0.215 4.114 4.320 0.013 0.000 0.208 356 K C 2.300 178.857 176.600 -0.072 0.000 1.048 356 K CA 1.613 57.850 56.287 -0.083 0.000 0.929 356 K CB -0.222 32.248 32.500 -0.051 0.000 0.713 356 K HN 0.399 nan 8.250 nan 0.000 0.439 357 K N -0.019 120.357 120.400 -0.040 0.000 2.026 357 K HA -0.165 4.163 4.320 0.013 0.000 0.208 357 K C 1.992 178.578 176.600 -0.024 0.000 1.048 357 K CA 1.506 57.777 56.287 -0.027 0.000 0.929 357 K CB -0.259 32.237 32.500 -0.006 0.000 0.713 357 K HN 0.057 nan 8.250 nan 0.000 0.439 358 F N 1.425 121.274 119.950 -0.168 0.000 2.134 358 F HA -0.111 4.424 4.527 0.014 0.000 0.299 358 F C 1.574 177.245 175.800 -0.215 0.000 1.097 358 F CA 1.323 59.211 58.000 -0.187 0.000 1.264 358 F CB -0.024 38.837 39.000 -0.231 0.000 1.001 358 F HN -0.102 nan 8.300 nan 0.000 0.479 359 L N -0.036 121.064 121.223 -0.204 0.000 2.552 359 L HA -0.061 4.287 4.340 0.013 0.000 0.227 359 L C 2.184 178.921 176.870 -0.222 0.000 1.146 359 L CA 0.932 55.593 54.840 -0.300 0.000 0.858 359 L CB -0.720 41.132 42.059 -0.346 0.000 0.969 359 L HN 0.281 nan 8.230 nan 0.000 0.451 360 S N -1.452 114.143 115.700 -0.175 0.000 2.593 360 S HA 0.103 4.581 4.470 0.013 0.000 0.217 360 S C 0.949 175.470 174.600 -0.131 0.000 0.966 360 S CA -0.443 57.681 58.200 -0.127 0.000 0.914 360 S CB 0.004 63.150 63.200 -0.089 0.000 0.776 360 S HN 0.186 nan 8.310 nan 0.000 0.523 361 R N 2.632 123.021 120.500 -0.184 0.000 2.390 361 R HA 0.308 4.656 4.340 0.013 0.000 0.291 361 R C -0.842 175.367 176.300 -0.151 0.000 1.070 361 R CA -0.131 55.870 56.100 -0.165 0.000 1.014 361 R CB -0.111 30.062 30.300 -0.211 0.000 1.007 361 R HN 0.442 nan 8.270 nan 0.000 0.466 362 N N 2.497 121.133 118.700 -0.106 0.000 2.442 362 N HA 0.151 4.900 4.740 0.013 0.000 0.265 362 N C -0.305 175.152 175.510 -0.088 0.000 1.138 362 N CA 0.015 53.012 53.050 -0.089 0.000 0.956 362 N CB 0.794 39.240 38.487 -0.068 0.000 1.067 362 N HN 0.177 nan 8.380 nan 0.000 0.474 363 R N 0.985 121.435 120.500 -0.084 0.000 2.888 363 R HA 0.556 4.904 4.340 0.013 0.000 0.266 363 R C 0.189 176.435 176.300 -0.089 0.000 1.020 363 R CA -0.889 55.175 56.100 -0.060 0.000 0.963 363 R CB 1.109 31.391 30.300 -0.030 0.000 1.197 363 R HN 0.503 nan 8.270 nan 0.000 0.481 364 A N 0.806 123.543 122.820 -0.138 0.000 2.123 364 A HA 0.212 4.540 4.320 0.013 0.000 0.214 364 A C -0.094 177.083 177.584 -0.679 0.000 1.152 364 A CA 0.909 52.680 52.037 -0.443 0.000 0.728 364 A CB -0.014 18.614 19.000 -0.619 0.000 0.814 364 A HN 0.428 nan 8.150 nan 0.000 0.464 365 F N -1.688 118.298 119.950 0.060 0.000 2.588 365 F HA 0.559 5.094 4.527 0.014 0.000 0.310 365 F C 0.094 176.004 175.800 0.183 0.000 1.082 365 F CA -1.212 56.859 58.000 0.119 0.000 0.929 365 F CB 1.337 40.423 39.000 0.144 0.000 1.254 365 F HN -0.067 nan 8.300 nan 0.000 0.455 366 R N 3.206 123.941 120.500 0.392 0.000 2.449 366 R HA 0.370 4.718 4.340 0.013 0.000 0.296 366 R C -2.708 173.854 176.300 0.437 0.000 1.047 366 R CA -1.292 54.998 56.100 0.316 0.000 1.018 366 R CB 0.101 30.559 30.300 0.263 0.000 0.962 366 R HN 0.227 nan 8.270 nan 0.000 0.428 367 P HA 0.163 nan 4.420 nan 0.000 0.272 367 P C -1.143 176.540 177.300 0.638 0.000 1.254 367 P CA 0.003 63.358 63.100 0.425 0.000 0.795 367 P CB 0.259 32.140 31.700 0.302 0.000 1.022 368 F N -2.473 117.756 119.950 0.466 0.000 2.662 368 F HA 0.690 5.225 4.527 0.013 0.000 0.312 368 F C -1.395 174.423 175.800 0.029 0.000 1.113 368 F CA -1.350 56.779 58.000 0.214 0.000 0.951 368 F CB 0.675 39.731 39.000 0.093 0.000 1.344 368 F HN 0.004 nan 8.300 nan 0.000 0.462 369 I N 1.281 121.767 120.570 -0.140 0.000 2.460 369 I HA 0.500 4.678 4.170 0.013 0.000 0.298 369 I C -0.915 175.234 176.117 0.054 0.000 0.989 369 I CA -0.518 60.588 61.300 -0.323 0.000 1.173 369 I CB 1.966 39.567 38.000 -0.665 0.000 1.338 369 I HN 0.782 nan 8.210 nan 0.000 0.456 370 E N 6.015 126.286 120.200 0.118 0.000 2.313 370 E HA 0.205 4.563 4.350 0.013 0.000 0.280 370 E C -1.006 175.693 176.600 0.165 0.000 0.898 370 E CA -0.524 55.947 56.400 0.118 0.000 0.803 370 E CB 0.787 30.506 29.700 0.031 0.000 1.286 370 E HN 0.686 nan 8.360 nan 0.000 0.401 371 N N 3.122 121.866 118.700 0.074 0.000 2.721 371 N HA -0.265 4.483 4.740 0.013 0.000 0.249 371 N C 0.633 176.211 175.510 0.114 0.000 1.072 371 N CA 1.465 54.567 53.050 0.087 0.000 0.710 371 N CB -1.248 37.304 38.487 0.108 0.000 0.993 371 N HN 1.001 nan 8.380 nan 0.000 0.547 372 G N -0.980 107.867 108.800 0.079 0.000 2.175 372 G HA2 -0.334 3.634 3.960 0.013 0.000 0.244 372 G HA3 -0.334 3.634 3.960 0.013 0.000 0.244 372 G C 0.010 174.996 174.900 0.143 0.000 0.982 372 G CA 0.510 45.716 45.100 0.178 0.000 0.641 372 G HN 0.608 nan 8.290 nan 0.000 0.527 373 R N -1.395 119.132 120.500 0.045 0.000 2.637 373 R HA 0.503 4.851 4.340 0.013 0.000 0.291 373 R C -0.226 176.015 176.300 -0.100 0.000 0.963 373 R CA -0.826 55.210 56.100 -0.107 0.000 0.901 373 R CB 0.843 30.902 30.300 -0.401 0.000 1.160 373 R HN 0.382 nan 8.270 nan 0.000 0.457 374 W N 1.460 122.721 121.300 -0.064 0.000 3.725 374 W HA -0.221 4.447 4.660 0.013 0.000 0.438 374 W C -1.125 175.003 176.519 -0.651 0.000 1.815 374 W CA 0.021 57.184 57.345 -0.305 0.000 0.580 374 W CB -0.852 28.408 29.460 -0.335 0.000 2.873 374 W HN 0.514 nan 8.180 nan 0.000 0.641 375 W N 1.789 122.921 121.300 -0.280 0.000 2.950 375 W HA 0.773 5.441 4.660 0.013 0.000 0.340 375 W C -0.178 176.133 176.519 -0.347 0.000 1.139 375 W CA -0.878 56.195 57.345 -0.454 0.000 1.188 375 W CB 1.357 30.256 29.460 -0.934 0.000 1.426 375 W HN 0.298 nan 8.180 nan 0.000 0.531 376 A N 1.783 124.693 122.820 0.151 0.000 2.401 376 A HA 0.830 5.158 4.320 0.013 0.000 0.310 376 A C -1.626 175.922 177.584 -0.059 0.000 1.075 376 A CA -0.827 51.229 52.037 0.031 0.000 0.746 376 A CB 0.605 19.565 19.000 -0.066 0.000 1.277 376 A HN 0.515 nan 8.150 nan 0.000 0.425 377 F N 1.102 121.157 119.950 0.175 0.000 2.467 377 F HA 0.442 4.977 4.527 0.013 0.000 0.362 377 F C 0.850 176.582 175.800 -0.113 0.000 1.090 377 F CA 0.494 58.513 58.000 0.031 0.000 1.202 377 F CB 1.052 40.097 39.000 0.075 0.000 1.113 377 F HN 0.680 nan 8.300 nan 0.000 0.541 378 E N 2.353 122.389 120.200 -0.273 0.000 2.320 378 E HA 0.544 4.902 4.350 0.013 0.000 0.264 378 E C -0.953 175.474 176.600 -0.288 0.000 0.923 378 E CA -0.768 55.377 56.400 -0.424 0.000 0.796 378 E CB 1.252 30.407 29.700 -0.909 0.000 1.262 378 E HN 0.304 nan 8.360 nan 0.000 0.428 379 M N 1.649 121.245 119.600 -0.006 0.000 2.364 379 M HA 0.468 4.956 4.480 0.013 0.000 0.334 379 M C -0.243 176.210 176.300 0.254 0.000 1.107 379 M CA -0.459 54.930 55.300 0.149 0.000 0.988 379 M CB 1.541 34.213 32.600 0.120 0.000 1.673 379 M HN 0.394 nan 8.290 nan 0.000 0.441 380 R N 1.235 121.878 120.500 0.238 0.000 2.531 380 R HA 0.258 4.606 4.340 0.013 0.000 0.273 380 R C 1.010 177.249 176.300 -0.102 0.000 1.070 380 R CA -0.585 55.525 56.100 0.018 0.000 1.112 380 R CB 1.237 31.488 30.300 -0.082 0.000 1.049 380 R HN 0.469 nan 8.270 nan 0.000 0.508 381 K N 1.430 121.637 120.400 -0.323 0.000 2.228 381 K HA 0.027 4.355 4.320 0.013 0.000 0.202 381 K C 0.354 176.921 176.600 -0.055 0.000 1.051 381 K CA 1.049 57.227 56.287 -0.183 0.000 0.960 381 K CB 0.050 32.472 32.500 -0.129 0.000 0.743 381 K HN 0.372 nan 8.250 nan 0.000 0.458 382 F N -1.501 118.535 119.950 0.143 0.000 2.599 382 F HA 0.419 4.954 4.527 0.013 0.000 0.311 382 F C 0.570 176.477 175.800 0.178 0.000 1.076 382 F CA -1.262 56.825 58.000 0.144 0.000 0.937 382 F CB 0.992 40.085 39.000 0.156 0.000 1.282 382 F HN -0.161 nan 8.300 nan 0.000 0.460 383 T N -3.076 111.739 114.554 0.436 0.000 3.058 383 T HA 0.307 4.665 4.350 0.013 0.000 0.278 383 T C 0.168 175.089 174.700 0.369 0.000 0.974 383 T CA 0.543 62.860 62.100 0.361 0.000 0.893 383 T CB -0.428 68.564 68.868 0.207 0.000 1.138 383 T HN 0.992 nan 8.240 nan 0.000 0.529 384 T N -0.803 113.885 114.554 0.224 0.000 2.893 384 T HA 0.588 4.946 4.350 0.013 0.000 0.291 384 T C -2.530 171.815 174.700 -0.592 0.000 1.028 384 T CA -1.926 60.134 62.100 -0.066 0.000 0.995 384 T CB 2.296 71.111 68.868 -0.087 0.000 1.051 384 T HN -0.330 nan 8.240 nan 0.000 0.470 385 P HA -0.072 nan 4.420 nan 0.000 0.215 385 P C 1.120 177.789 177.300 -1.051 0.000 1.153 385 P CA 1.145 63.391 63.100 -1.424 0.000 0.853 385 P CB 0.136 31.314 31.700 -0.869 0.000 0.788 386 E N -0.198 119.400 120.200 -1.003 0.000 2.051 386 E HA -0.200 4.159 4.350 0.013 0.000 0.192 386 E C 2.102 178.410 176.600 -0.487 0.000 0.991 386 E CA 1.106 56.971 56.400 -0.893 0.000 0.799 386 E CB -0.721 28.607 29.700 -0.621 0.000 0.748 386 E HN 0.373 nan 8.360 nan 0.000 0.449 387 E N -0.165 119.825 120.200 -0.350 0.000 2.118 387 E HA -0.177 4.181 4.350 0.013 0.000 0.195 387 E C 2.083 178.511 176.600 -0.286 0.000 0.992 387 E CA 1.210 57.508 56.400 -0.170 0.000 0.804 387 E CB -0.225 29.473 29.700 -0.002 0.000 0.741 387 E HN 0.342 nan 8.360 nan 0.000 0.458 388 G N -0.073 108.382 108.800 -0.575 0.000 2.394 388 G HA2 -0.186 3.782 3.960 0.013 0.000 0.214 388 G HA3 -0.186 3.782 3.960 0.013 0.000 0.214 388 G C 1.615 176.175 174.900 -0.565 0.000 1.176 388 G CA 0.696 45.214 45.100 -0.971 0.000 0.786 388 G HN 0.202 nan 8.290 nan 0.000 0.533 389 V N 0.552 120.199 119.914 -0.445 0.000 2.515 389 V HA -0.089 4.039 4.120 0.013 0.000 0.250 389 V C 2.720 178.659 176.094 -0.258 0.000 1.058 389 V CA 1.750 63.808 62.300 -0.404 0.000 1.064 389 V CB -0.457 31.199 31.823 -0.278 0.000 0.675 389 V HN 0.337 nan 8.190 nan 0.000 0.461 390 R N 0.069 120.491 120.500 -0.129 0.000 2.103 390 R HA -0.228 4.120 4.340 0.013 0.000 0.242 390 R C 2.642 178.996 176.300 0.089 0.000 1.142 390 R CA 2.032 58.196 56.100 0.108 0.000 0.960 390 R CB -0.378 29.958 30.300 0.061 0.000 0.858 390 R HN 0.508 nan 8.270 nan 0.000 0.439 391 S N -0.859 114.824 115.700 -0.029 0.000 2.345 391 S HA -0.178 4.300 4.470 0.013 0.000 0.219 391 S C 1.799 176.374 174.600 -0.042 0.000 1.031 391 S CA 1.040 59.263 58.200 0.040 0.000 0.984 391 S CB -0.476 62.825 63.200 0.168 0.000 0.874 391 S HN 0.534 nan 8.310 nan 0.000 0.451 392 Y N 2.160 122.198 120.300 -0.436 0.000 2.128 392 Y HA -0.047 4.511 4.550 0.014 0.000 0.284 392 Y C 2.421 178.117 175.900 -0.339 0.000 1.154 392 Y CA 1.542 59.291 58.100 -0.586 0.000 1.149 392 Y CB -0.936 36.603 38.460 -1.535 0.000 0.976 392 Y HN 0.323 nan 8.280 nan 0.000 0.505 393 A N -0.914 121.670 122.820 -0.393 0.000 1.933 393 A HA -0.181 4.148 4.320 0.013 0.000 0.218 393 A C 2.452 179.872 177.584 -0.274 0.000 1.175 393 A CA 1.920 53.667 52.037 -0.484 0.000 0.628 393 A CB -1.233 17.279 19.000 -0.812 0.000 0.814 393 A HN 0.491 nan 8.150 nan 0.000 0.444 394 S N -0.638 115.025 115.700 -0.061 0.000 2.370 394 S HA -0.142 4.336 4.470 0.013 0.000 0.226 394 S C 2.116 176.810 174.600 0.156 0.000 1.033 394 S CA 2.109 60.393 58.200 0.140 0.000 1.011 394 S CB -0.382 62.923 63.200 0.175 0.000 0.852 394 S HN 0.895 nan 8.310 nan 0.000 0.457 395 T N -2.001 112.553 114.554 0.000 0.000 3.040 395 T HA 0.138 4.496 4.350 0.013 0.000 0.252 395 T C 0.850 175.225 174.700 -0.541 0.000 1.064 395 T CA 0.371 62.413 62.100 -0.097 0.000 1.110 395 T CB -0.173 68.677 68.868 -0.030 0.000 0.921 395 T HN 0.469 nan 8.240 nan 0.000 0.480 396 H N 0.452 119.080 119.070 -0.735 0.000 2.467 396 H HA 0.177 4.741 4.556 0.014 0.000 0.275 396 H C 1.149 175.839 175.328 -1.064 0.000 1.131 396 H CA -0.597 54.774 56.048 -1.129 0.000 0.989 396 H CB 0.001 29.000 29.762 -1.273 0.000 1.696 396 H HN 0.568 nan 8.280 nan 0.000 0.574 397 W N 1.546 122.442 121.300 -0.673 0.000 2.342 397 W HA -0.182 4.486 4.660 0.013 0.000 0.297 397 W C 1.490 177.796 176.519 -0.355 0.000 1.213 397 W CA 1.025 58.098 57.345 -0.453 0.000 1.251 397 W CB -1.099 28.180 29.460 -0.302 0.000 1.136 397 W HN 0.383 nan 8.180 nan 0.000 0.526 398 H N -0.386 118.150 119.070 -0.889 0.000 2.491 398 H HA -0.023 4.541 4.556 0.013 0.000 0.290 398 H C 1.522 176.651 175.328 -0.331 0.000 1.050 398 H CA 1.535 57.155 56.048 -0.713 0.000 1.309 398 H CB -1.016 28.077 29.762 -1.116 0.000 1.392 398 H HN 0.077 nan 8.280 nan 0.000 0.554 399 T N 0.953 115.386 114.554 -0.201 0.000 3.107 399 T HA 0.187 4.545 4.350 0.013 0.000 0.249 399 T C 1.228 175.905 174.700 -0.038 0.000 1.096 399 T CA -0.253 61.829 62.100 -0.029 0.000 1.012 399 T CB -0.223 68.676 68.868 0.052 0.000 0.977 399 T HN 0.280 nan 8.240 nan 0.000 0.527 400 L N 1.516 122.690 121.223 -0.082 0.000 2.912 400 L HA 0.451 4.799 4.340 0.013 0.000 0.240 400 L C 0.935 177.777 176.870 -0.047 0.000 1.262 400 L CA -0.426 54.379 54.840 -0.058 0.000 1.058 400 L CB -0.462 41.530 42.059 -0.112 0.000 1.383 400 L HN 0.338 nan 8.230 nan 0.000 0.512 401 G N 0.289 109.073 108.800 -0.026 0.000 2.788 401 G HA2 -0.183 3.786 3.960 0.013 0.000 0.686 401 G HA3 -0.183 3.786 3.960 0.013 0.000 0.686 401 G C 0.339 175.241 174.900 0.003 0.000 1.147 401 G CA -0.540 44.546 45.100 -0.023 0.000 0.755 401 G HN 0.047 nan 8.290 nan 0.000 0.634 402 K N 0.517 120.922 120.400 0.008 0.000 2.032 402 K HA -0.123 4.205 4.320 0.013 0.000 0.209 402 K C 2.024 178.653 176.600 0.048 0.000 1.048 402 K CA 2.226 58.533 56.287 0.033 0.000 0.927 402 K CB -0.171 32.341 32.500 0.020 0.000 0.712 402 K HN 0.583 nan 8.250 nan 0.000 0.441 403 N N -0.388 118.327 118.700 0.026 0.000 2.508 403 N HA -0.062 4.687 4.740 0.013 0.000 0.186 403 N C 2.004 177.531 175.510 0.029 0.000 1.034 403 N CA 0.625 53.693 53.050 0.030 0.000 0.885 403 N CB -0.438 38.060 38.487 0.020 0.000 1.135 403 N HN -0.110 nan 8.380 nan 0.000 0.435 404 V N 1.897 121.820 119.914 0.015 0.000 2.250 404 V HA -0.240 3.888 4.120 0.013 0.000 0.250 404 V C 2.541 178.546 176.094 -0.148 0.000 1.060 404 V CA 2.371 64.658 62.300 -0.021 0.000 1.030 404 V CB -1.344 30.461 31.823 -0.031 0.000 0.643 404 V HN 0.381 nan 8.190 nan 0.000 0.445 405 G N -1.092 107.673 108.800 -0.058 0.000 2.459 405 G HA2 -0.273 3.696 3.960 0.013 0.000 0.217 405 G HA3 -0.273 3.696 3.960 0.013 0.000 0.217 405 G C 1.472 176.453 174.900 0.135 0.000 1.183 405 G CA 0.993 46.117 45.100 0.039 0.000 0.776 405 G HN 0.571 nan 8.290 nan 0.000 0.552 406 E N -0.018 120.257 120.200 0.124 0.000 2.118 406 E HA -0.138 4.220 4.350 0.013 0.000 0.195 406 E C 2.724 179.291 176.600 -0.056 0.000 0.992 406 E CA 1.134 57.556 56.400 0.036 0.000 0.804 406 E CB -0.134 29.596 29.700 0.050 0.000 0.741 406 E HN 0.423 nan 8.360 nan 0.000 0.458 407 S N 0.375 116.065 115.700 -0.016 0.000 2.355 407 S HA -0.120 4.358 4.470 0.013 0.000 0.222 407 S C 1.985 176.576 174.600 -0.014 0.000 1.031 407 S CA 0.774 58.993 58.200 0.032 0.000 0.993 407 S CB -0.152 63.149 63.200 0.167 0.000 0.859 407 S HN 0.182 nan 8.310 nan 0.000 0.453 408 I N 1.422 121.875 120.570 -0.195 0.000 2.286 408 I HA -0.168 4.010 4.170 0.013 0.000 0.248 408 I C 2.831 178.901 176.117 -0.077 0.000 1.115 408 I CA 1.261 62.425 61.300 -0.227 0.000 1.392 408 I CB -0.347 37.352 38.000 -0.502 0.000 1.065 408 I HN 0.326 nan 8.210 nan 0.000 0.418 409 R N 1.331 121.694 120.500 -0.229 0.000 2.103 409 R HA -0.250 4.098 4.340 0.013 0.000 0.242 409 R C 2.152 178.262 176.300 -0.316 0.000 1.142 409 R CA 2.275 58.037 56.100 -0.564 0.000 0.960 409 R CB -0.231 29.325 30.300 -1.240 0.000 0.858 409 R HN 0.605 nan 8.270 nan 0.000 0.439 410 E N -2.005 118.097 120.200 -0.163 0.000 2.230 410 E HA -0.123 4.235 4.350 0.013 0.000 0.192 410 E C -0.231 176.444 176.600 0.126 0.000 0.987 410 E CA 0.481 56.850 56.400 -0.051 0.000 0.841 410 E CB 0.173 29.851 29.700 -0.037 0.000 0.783 410 E HN 0.359 nan 8.360 nan 0.000 0.481 411 Y N -0.407 119.904 120.300 0.019 0.000 2.457 411 Y HA 0.371 4.929 4.550 0.014 0.000 0.322 411 Y C -1.929 174.108 175.900 0.228 0.000 1.218 411 Y CA -1.380 56.751 58.100 0.051 0.000 1.116 411 Y CB 1.216 39.693 38.460 0.028 0.000 1.335 411 Y HN 0.073 nan 8.280 nan 0.000 0.452 412 F N 2.788 122.229 119.950 -0.849 0.000 2.713 412 F HA 0.792 5.327 4.527 0.014 0.000 0.311 412 F C -1.865 173.418 175.800 -0.862 0.000 1.141 412 F CA -0.921 56.686 58.000 -0.654 0.000 0.939 412 F CB 1.648 40.513 39.000 -0.226 0.000 1.325 412 F HN 0.499 nan 8.300 nan 0.000 0.453 413 E N 1.304 121.279 120.200 -0.374 0.000 2.416 413 E HA 0.710 5.069 4.350 0.013 0.000 0.273 413 E C -1.791 174.862 176.600 0.090 0.000 0.935 413 E CA -1.105 55.127 56.400 -0.280 0.000 0.784 413 E CB 3.193 32.769 29.700 -0.207 0.000 1.301 413 E HN 0.692 nan 8.360 nan 0.000 0.454 414 I N 1.985 122.594 120.570 0.064 0.000 2.355 414 I HA 0.272 4.450 4.170 0.013 0.000 0.288 414 I C -0.653 175.518 176.117 0.090 0.000 0.999 414 I CA -0.828 60.560 61.300 0.147 0.000 1.163 414 I CB 1.058 39.126 38.000 0.113 0.000 1.316 414 I HN 0.377 nan 8.210 nan 0.000 0.454 415 I N 5.818 126.468 120.570 0.133 0.000 2.377 415 I HA 0.495 4.673 4.170 0.013 0.000 0.293 415 I C 0.204 176.365 176.117 0.073 0.000 0.987 415 I CA -0.122 61.219 61.300 0.067 0.000 1.185 415 I CB 1.338 39.371 38.000 0.056 0.000 1.341 415 I HN 0.591 nan 8.210 nan 0.000 0.455 416 S N 3.046 118.746 115.700 -0.001 0.000 2.638 416 S HA 0.872 5.350 4.470 0.013 0.000 0.274 416 S C 0.149 174.669 174.600 -0.134 0.000 1.157 416 S CA -0.119 58.068 58.200 -0.022 0.000 0.826 416 S CB 1.808 65.048 63.200 0.066 0.000 1.139 416 S HN 1.235 nan 8.310 nan 0.000 0.474 417 G N 1.720 110.422 108.800 -0.162 0.000 2.634 417 G HA2 -0.326 3.642 3.960 0.013 0.000 0.309 417 G HA3 -0.326 3.642 3.960 0.013 0.000 0.309 417 G C 0.715 175.429 174.900 -0.310 0.000 1.265 417 G CA 0.787 45.819 45.100 -0.112 0.000 0.998 417 G HN 0.876 nan 8.290 nan 0.000 0.551 418 E N 0.227 120.428 120.200 0.002 0.000 2.070 418 E HA -0.191 4.167 4.350 0.013 0.000 0.197 418 E C 2.418 178.998 176.600 -0.033 0.000 1.004 418 E CA 1.747 58.205 56.400 0.097 0.000 0.805 418 E CB -0.274 29.489 29.700 0.104 0.000 0.744 418 E HN 0.506 nan 8.360 nan 0.000 0.451 419 K N 0.708 121.056 120.400 -0.087 0.000 2.209 419 K HA -0.127 4.201 4.320 0.013 0.000 0.204 419 K C 2.053 178.568 176.600 -0.143 0.000 1.048 419 K CA 0.381 56.622 56.287 -0.077 0.000 0.940 419 K CB -0.159 32.310 32.500 -0.052 0.000 0.729 419 K HN 0.012 nan 8.250 nan 0.000 0.451 420 L N -0.280 120.744 121.223 -0.331 0.000 2.095 420 L HA 0.067 4.415 4.340 0.013 0.000 0.204 420 L C 1.312 177.982 176.870 -0.333 0.000 1.080 420 L CA 1.501 56.110 54.840 -0.386 0.000 0.759 420 L CB -0.340 41.404 42.059 -0.526 0.000 0.914 420 L HN 0.157 nan 8.230 nan 0.000 0.439 421 F N -0.439 119.505 119.950 -0.010 0.000 2.722 421 F HA -0.058 4.477 4.527 0.013 0.000 0.298 421 F C 1.995 177.778 175.800 -0.028 0.000 1.175 421 F CA 0.470 58.456 58.000 -0.023 0.000 1.462 421 F CB -0.475 38.519 39.000 -0.011 0.000 1.111 421 F HN 0.050 nan 8.300 nan 0.000 0.592 422 K N -0.310 120.131 120.400 0.069 0.000 2.356 422 K HA 0.024 4.352 4.320 0.013 0.000 0.195 422 K C 0.643 177.243 176.600 -0.001 0.000 1.037 422 K CA 0.116 56.428 56.287 0.042 0.000 1.014 422 K CB 0.198 32.720 32.500 0.036 0.000 0.815 422 K HN 0.034 nan 8.250 nan 0.000 0.507 423 E N 1.628 121.796 120.200 -0.052 0.000 2.390 423 E HA 0.029 4.387 4.350 0.013 0.000 0.261 423 E C -2.187 174.316 176.600 -0.162 0.000 1.076 423 E CA -1.821 54.507 56.400 -0.119 0.000 0.905 423 E CB 0.290 29.858 29.700 -0.219 0.000 0.984 423 E HN -0.004 nan 8.360 nan 0.000 0.427 424 P HA 0.014 nan 4.420 nan 0.000 0.225 424 P C 0.479 177.643 177.300 -0.227 0.000 1.768 424 P CA 0.277 63.293 63.100 -0.139 0.000 0.943 424 P CB -0.374 31.297 31.700 -0.049 0.000 1.936 425 V N -2.349 117.422 119.914 -0.239 0.000 3.253 425 V HA 0.094 4.222 4.120 0.013 0.000 0.320 425 V C 1.909 177.944 176.094 -0.100 0.000 1.442 425 V CA 0.642 62.805 62.300 -0.228 0.000 1.097 425 V CB -0.518 31.097 31.823 -0.346 0.000 1.008 425 V HN 0.225 nan 8.190 nan 0.000 0.463 426 T N -1.141 113.383 114.554 -0.051 0.000 2.857 426 T HA 0.003 4.362 4.350 0.013 0.000 0.266 426 T C 1.997 176.687 174.700 -0.017 0.000 1.048 426 T CA 1.839 63.936 62.100 -0.004 0.000 1.139 426 T CB -0.248 68.629 68.868 0.016 0.000 0.874 426 T HN 0.840 nan 8.240 nan 0.000 0.455 427 A N 1.818 124.622 122.820 -0.027 0.000 1.883 427 A HA -0.099 4.229 4.320 0.013 0.000 0.217 427 A C 2.275 179.834 177.584 -0.041 0.000 1.186 427 A CA 1.982 54.003 52.037 -0.027 0.000 0.624 427 A CB -0.861 18.126 19.000 -0.022 0.000 0.822 427 A HN 0.560 nan 8.150 nan 0.000 0.444 428 E N 0.047 120.212 120.200 -0.058 0.000 2.077 428 E HA -0.095 4.263 4.350 0.013 0.000 0.193 428 E C 1.925 178.483 176.600 -0.070 0.000 0.989 428 E CA 0.940 57.292 56.400 -0.081 0.000 0.800 428 E CB -0.357 29.282 29.700 -0.101 0.000 0.746 428 E HN 0.618 nan 8.360 nan 0.000 0.452 429 L N -0.190 121.004 121.223 -0.047 0.000 2.131 429 L HA -0.221 4.127 4.340 0.013 0.000 0.210 429 L C 2.197 179.060 176.870 -0.013 0.000 1.092 429 L CA 0.736 55.565 54.840 -0.019 0.000 0.759 429 L CB -0.307 41.770 42.059 0.030 0.000 0.903 429 L HN 0.319 nan 8.230 nan 0.000 0.435 430 C N -0.437 118.852 119.300 -0.018 0.000 2.476 430 C HA -0.145 4.323 4.460 0.013 0.000 0.278 430 C C 2.732 177.707 174.990 -0.024 0.000 1.274 430 C CA 0.740 59.747 59.018 -0.018 0.000 1.713 430 C CB -0.431 27.298 27.740 -0.018 0.000 2.039 430 C HN 0.520 nan 8.230 nan 0.000 0.484 431 E N 0.590 120.769 120.200 -0.036 0.000 2.058 431 E HA -0.240 4.118 4.350 0.013 0.000 0.194 431 E C 2.176 178.750 176.600 -0.043 0.000 0.997 431 E CA 1.421 57.795 56.400 -0.043 0.000 0.801 431 E CB -0.327 29.337 29.700 -0.060 0.000 0.746 431 E HN 0.553 nan 8.360 nan 0.000 0.450 432 M N -0.578 118.991 119.600 -0.050 0.000 2.080 432 M HA -0.177 4.312 4.480 0.013 0.000 0.260 432 M C 1.747 178.037 176.300 -0.017 0.000 1.068 432 M CA 1.643 56.916 55.300 -0.045 0.000 1.109 432 M CB 0.013 32.579 32.600 -0.056 0.000 1.342 432 M HN 0.227 nan 8.290 nan 0.000 0.405 433 M N -0.645 118.951 119.600 -0.008 0.000 2.561 433 M HA 0.134 4.622 4.480 0.013 0.000 0.238 433 M C 0.812 177.113 176.300 0.002 0.000 1.131 433 M CA 0.512 55.816 55.300 0.007 0.000 1.046 433 M CB -0.089 32.519 32.600 0.014 0.000 1.532 433 M HN 0.551 nan 8.290 nan 0.000 0.497 434 G N 2.087 110.883 108.800 -0.007 0.000 2.371 434 G HA2 -0.198 3.770 3.960 0.013 0.000 0.299 434 G HA3 -0.198 3.770 3.960 0.013 0.000 0.299 434 G C -0.114 174.782 174.900 -0.007 0.000 1.014 434 G CA -0.260 44.835 45.100 -0.008 0.000 1.097 434 G HN 0.334 nan 8.290 nan 0.000 0.512 435 V N 0.585 120.493 119.914 -0.010 0.000 2.715 435 V HA 0.533 4.661 4.120 0.013 0.000 0.299 435 V C 0.709 176.796 176.094 -0.012 0.000 1.054 435 V CA 0.659 62.952 62.300 -0.011 0.000 1.077 435 V CB 1.684 33.497 31.823 -0.016 0.000 0.972 435 V HN 0.705 nan 8.190 nan 0.000 0.484 436 K N 3.009 123.402 120.400 -0.012 0.000 2.535 436 K HA 0.685 5.013 4.320 0.013 0.000 0.250 436 K C -1.597 174.996 176.600 -0.011 0.000 0.948 436 K CA -0.492 55.788 56.287 -0.011 0.000 0.796 436 K CB 2.406 34.902 32.500 -0.007 0.000 1.216 436 K HN 0.801 nan 8.250 nan 0.000 0.432 437 D N 0.000 120.393 120.400 -0.011 0.000 6.856 437 D HA 0.000 4.648 4.640 0.013 0.000 0.175 437 D CA 0.000 53.994 54.000 -0.011 0.000 0.868 437 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683