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 2c3c_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS CPHNACVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.665 176.600 0.108 0.000 0.988 2 K CA 0.000 56.330 56.287 0.072 0.000 0.838 2 K CB 0.000 32.529 32.500 0.048 0.000 1.064 3 V N 2.384 122.360 119.914 0.104 0.000 2.409 3 V HA 0.504 4.625 4.120 0.003 0.000 0.291 3 V C -1.323 174.905 176.094 0.223 0.000 1.020 3 V CA -0.436 61.943 62.300 0.131 0.000 0.848 3 V CB 1.302 33.133 31.823 0.012 0.000 0.990 3 V HN 0.475 nan 8.190 nan 0.000 0.430 4 W N 6.379 127.730 121.300 0.085 0.000 2.329 4 W HA 0.461 5.123 4.660 0.003 0.000 0.312 4 W C -0.084 176.529 176.519 0.156 0.000 1.054 4 W CA -1.310 56.093 57.345 0.096 0.000 1.245 4 W CB 0.927 30.445 29.460 0.097 0.000 1.255 4 W HN 0.549 nan 8.180 nan 0.000 0.436 5 N N 4.627 123.422 118.700 0.159 0.000 2.415 5 N HA 0.224 4.966 4.740 0.003 0.000 0.250 5 N C 0.406 175.700 175.510 -0.359 0.000 1.127 5 N CA 0.482 53.528 53.050 -0.006 0.000 0.945 5 N CB 1.358 39.914 38.487 0.114 0.000 1.196 5 N HN 0.598 nan 8.380 nan 0.000 0.499 6 A N 3.823 126.172 122.820 -0.785 0.000 2.238 6 A HA 0.033 4.354 4.320 0.003 0.000 0.210 6 A C 2.019 179.364 177.584 -0.399 0.000 1.179 6 A CA 0.027 51.537 52.037 -0.879 0.000 0.827 6 A CB -0.046 18.098 19.000 -1.427 0.000 0.856 6 A HN 0.617 nan 8.150 nan 0.000 0.488 7 R N 1.758 122.076 120.500 -0.304 0.000 2.159 7 R HA -0.185 4.156 4.340 0.003 0.000 0.252 7 R C 0.657 176.818 176.300 -0.231 0.000 1.144 7 R CA 2.439 58.397 56.100 -0.238 0.000 0.961 7 R CB -0.530 29.683 30.300 -0.144 0.000 0.877 7 R HN 0.533 nan 8.270 nan 0.000 0.444 8 N N 0.546 119.134 118.700 -0.187 0.000 2.235 8 N HA 0.037 4.779 4.740 0.003 0.000 0.209 8 N C -0.916 174.394 175.510 -0.332 0.000 1.122 8 N CA 0.100 53.033 53.050 -0.195 0.000 0.845 8 N CB 0.450 38.919 38.487 -0.029 0.000 1.004 8 N HN 0.251 nan 8.380 nan 0.000 0.499 9 D N 0.359 120.541 120.400 -0.364 0.000 2.168 9 D HA 0.196 4.838 4.640 0.003 0.000 0.246 9 D C -0.023 176.001 176.300 -0.461 0.000 1.050 9 D CA 0.068 53.927 54.000 -0.236 0.000 0.857 9 D CB 1.270 42.096 40.800 0.044 0.000 1.169 9 D HN 0.119 nan 8.370 nan 0.000 0.453 10 H N 2.432 121.541 119.070 0.064 0.000 2.418 10 H HA 0.206 4.764 4.556 0.003 0.000 0.238 10 H C -0.169 175.219 175.328 0.101 0.000 1.403 10 H CA -0.581 55.527 56.048 0.099 0.000 1.419 10 H CB 0.388 30.202 29.762 0.087 0.000 1.463 10 H HN 0.085 nan 8.280 nan 0.000 0.515 11 L N 2.176 123.430 121.223 0.052 0.000 2.461 11 L HA 0.033 4.374 4.340 0.003 0.000 0.272 11 L C 1.672 178.706 176.870 0.273 0.000 1.197 11 L CA 0.187 54.978 54.840 -0.082 0.000 0.836 11 L CB 0.572 42.166 42.059 -0.775 0.000 1.105 11 L HN 0.514 nan 8.230 nan 0.000 0.477 12 T N -0.839 113.836 114.554 0.200 0.000 2.729 12 T HA 0.292 4.643 4.350 0.003 0.000 0.298 12 T C 1.472 176.309 174.700 0.229 0.000 1.013 12 T CA -0.355 61.867 62.100 0.204 0.000 0.957 12 T CB 0.350 69.247 68.868 0.047 0.000 1.130 12 T HN 0.391 nan 8.240 nan 0.000 0.526 13 I N 0.978 121.486 120.570 -0.104 0.000 2.226 13 I HA -0.153 4.019 4.170 0.003 0.000 0.245 13 I C 2.651 178.829 176.117 0.102 0.000 1.100 13 I CA 1.555 62.835 61.300 -0.033 0.000 1.374 13 I CB -0.568 37.260 38.000 -0.287 0.000 1.057 13 I HN 0.705 nan 8.210 nan 0.000 0.413 14 N N 0.037 118.754 118.700 0.029 0.000 2.270 14 N HA -0.169 4.573 4.740 0.003 0.000 0.181 14 N C 1.814 177.370 175.510 0.077 0.000 1.016 14 N CA 0.676 53.751 53.050 0.041 0.000 0.870 14 N CB -0.000 38.486 38.487 -0.001 0.000 0.979 14 N HN 0.445 nan 8.380 nan 0.000 0.431 15 Q N -0.074 119.771 119.800 0.075 0.000 2.079 15 Q HA -0.125 4.216 4.340 0.003 0.000 0.200 15 Q C 1.531 177.586 176.000 0.092 0.000 0.974 15 Q CA 1.180 57.003 55.803 0.033 0.000 0.840 15 Q CB -0.149 28.568 28.738 -0.035 0.000 0.898 15 Q HN 0.497 nan 8.270 nan 0.000 0.430 16 W N 0.800 122.185 121.300 0.141 0.000 2.338 16 W HA -0.223 4.439 4.660 0.003 0.000 0.304 16 W C 2.550 179.154 176.519 0.142 0.000 1.212 16 W CA 1.017 58.472 57.345 0.183 0.000 1.264 16 W CB -0.147 29.445 29.460 0.220 0.000 1.142 16 W HN 0.194 nan 8.180 nan 0.000 0.512 17 A N -0.332 122.696 122.820 0.348 0.000 1.892 17 A HA -0.250 4.071 4.320 0.003 0.000 0.218 17 A C 1.816 179.504 177.584 0.173 0.000 1.188 17 A CA 2.596 54.762 52.037 0.216 0.000 0.631 17 A CB -1.359 17.707 19.000 0.111 0.000 0.822 17 A HN 0.248 nan 8.150 nan 0.000 0.447 18 T N -0.880 113.750 114.554 0.128 0.000 2.777 18 T HA -0.125 4.226 4.350 0.003 0.000 0.266 18 T C 2.121 176.877 174.700 0.094 0.000 1.040 18 T CA 1.690 63.839 62.100 0.081 0.000 1.141 18 T CB -0.224 68.666 68.868 0.037 0.000 0.868 18 T HN 0.508 nan 8.240 nan 0.000 0.444 19 R N 1.307 121.878 120.500 0.118 0.000 2.081 19 R HA 0.077 4.419 4.340 0.003 0.000 0.235 19 R C 2.140 178.564 176.300 0.207 0.000 1.131 19 R CA 1.396 57.562 56.100 0.110 0.000 0.960 19 R CB -0.990 29.361 30.300 0.086 0.000 0.856 19 R HN 0.442 nan 8.270 nan 0.000 0.436 20 I N 0.332 121.085 120.570 0.306 0.000 2.226 20 I HA -0.239 3.932 4.170 0.003 0.000 0.245 20 I C 1.940 178.179 176.117 0.204 0.000 1.100 20 I CA 1.842 63.317 61.300 0.292 0.000 1.374 20 I CB -0.440 37.742 38.000 0.303 0.000 1.057 20 I HN 0.292 nan 8.210 nan 0.000 0.413 21 D N 0.912 121.414 120.400 0.170 0.000 2.084 21 D HA -0.217 4.424 4.640 0.003 0.000 0.194 21 D C 2.071 178.436 176.300 0.108 0.000 0.990 21 D CA 1.544 55.621 54.000 0.129 0.000 0.826 21 D CB 0.056 40.910 40.800 0.090 0.000 0.971 21 D HN 0.296 nan 8.370 nan 0.000 0.453 22 E N -0.186 120.067 120.200 0.089 0.000 2.070 22 E HA -0.184 4.167 4.350 0.003 0.000 0.197 22 E C 2.365 179.013 176.600 0.080 0.000 1.004 22 E CA 0.911 57.349 56.400 0.063 0.000 0.805 22 E CB -0.146 29.570 29.700 0.027 0.000 0.744 22 E HN 0.452 nan 8.360 nan 0.000 0.451 23 I N 0.825 121.462 120.570 0.110 0.000 2.361 23 I HA -0.251 3.921 4.170 0.003 0.000 0.251 23 I C 2.199 178.397 176.117 0.134 0.000 1.133 23 I CA 0.844 62.221 61.300 0.128 0.000 1.413 23 I CB -0.094 38.016 38.000 0.183 0.000 1.073 23 I HN 0.133 nan 8.210 nan 0.000 0.424 24 L N 0.049 121.360 121.223 0.145 0.000 2.179 24 L HA -0.084 4.258 4.340 0.003 0.000 0.208 24 L C 1.785 178.737 176.870 0.137 0.000 1.096 24 L CA 0.850 55.786 54.840 0.159 0.000 0.779 24 L CB -0.257 41.912 42.059 0.184 0.000 0.922 24 L HN 0.195 nan 8.230 nan 0.000 0.443 25 E N 0.635 120.901 120.200 0.111 0.000 2.403 25 E HA 0.170 4.521 4.350 0.003 0.000 0.188 25 E C 0.419 177.066 176.600 0.077 0.000 1.056 25 E CA -0.043 56.412 56.400 0.092 0.000 0.892 25 E CB 0.249 29.994 29.700 0.075 0.000 1.049 25 E HN 0.225 nan 8.360 nan 0.000 0.465 26 A N 2.369 125.238 122.820 0.082 0.000 2.404 26 A HA 0.306 4.628 4.320 0.003 0.000 0.273 26 A C -1.454 176.170 177.584 0.066 0.000 1.144 26 A CA -1.143 50.934 52.037 0.067 0.000 0.806 26 A CB 0.441 19.482 19.000 0.070 0.000 1.080 26 A HN -0.120 nan 8.150 nan 0.000 0.509 27 P HA -0.192 nan 4.420 nan 0.000 0.216 27 P C 0.634 177.965 177.300 0.051 0.000 1.150 27 P CA 1.741 64.872 63.100 0.052 0.000 0.843 27 P CB 0.148 31.873 31.700 0.042 0.000 0.787 28 D N -2.591 117.838 120.400 0.049 0.000 2.340 28 D HA 0.090 4.732 4.640 0.003 0.000 0.220 28 D C 1.462 177.796 176.300 0.056 0.000 1.039 28 D CA 0.783 54.811 54.000 0.047 0.000 0.866 28 D CB -0.625 40.200 40.800 0.041 0.000 0.913 28 D HN 0.272 nan 8.370 nan 0.000 0.523 29 G N -0.714 108.126 108.800 0.066 0.000 2.238 29 G HA2 0.056 4.018 3.960 0.003 0.000 0.217 29 G HA3 0.056 4.018 3.960 0.003 0.000 0.217 29 G C 0.775 175.728 174.900 0.089 0.000 0.996 29 G CA 0.186 45.332 45.100 0.077 0.000 0.632 29 G HN 1.352 nan 8.290 nan 0.000 0.503 30 G N -0.259 108.590 108.800 0.082 0.000 2.690 30 G HA2 0.412 4.374 3.960 0.003 0.000 0.686 30 G HA3 0.412 4.374 3.960 0.003 0.000 0.686 30 G C -0.202 174.762 174.900 0.108 0.000 1.277 30 G CA 0.635 45.791 45.100 0.094 0.000 0.799 30 G HN 1.869 nan 8.290 nan 0.000 0.613 31 E N -0.578 119.696 120.200 0.124 0.000 2.390 31 E HA 0.510 4.861 4.350 0.003 0.000 0.261 31 E C 0.413 177.146 176.600 0.222 0.000 1.076 31 E CA -0.893 55.603 56.400 0.160 0.000 0.905 31 E CB 1.253 31.054 29.700 0.169 0.000 0.984 31 E HN 0.533 nan 8.360 nan 0.000 0.427 32 V N 3.075 123.120 119.914 0.219 0.000 2.686 32 V HA 0.081 4.203 4.120 0.003 0.000 0.295 32 V C 0.393 176.683 176.094 0.327 0.000 1.055 32 V CA -0.198 62.240 62.300 0.230 0.000 1.050 32 V CB 0.591 32.528 31.823 0.189 0.000 0.984 32 V HN 0.576 nan 8.190 nan 0.000 0.482 33 I N 5.097 125.848 120.570 0.302 0.000 2.291 33 I HA 0.225 4.397 4.170 0.003 0.000 0.290 33 I C -0.856 175.359 176.117 0.165 0.000 1.050 33 I CA -0.276 61.186 61.300 0.269 0.000 1.245 33 I CB 0.330 38.520 38.000 0.316 0.000 1.405 33 I HN 0.558 nan 8.210 nan 0.000 0.478 34 Y N 6.819 127.059 120.300 -0.100 0.000 2.434 34 Y HA 0.293 4.845 4.550 0.003 0.000 0.341 34 Y C 0.098 175.856 175.900 -0.237 0.000 0.965 34 Y CA -0.695 57.342 58.100 -0.105 0.000 1.205 34 Y CB 0.700 39.139 38.460 -0.035 0.000 1.121 34 Y HN 0.520 nan 8.280 nan 0.000 0.507 35 N N 4.942 123.337 118.700 -0.509 0.000 2.886 35 N HA 0.324 5.066 4.740 0.003 0.000 0.285 35 N C -2.144 173.006 175.510 -0.599 0.000 1.706 35 N CA -0.159 52.529 53.050 -0.603 0.000 0.904 35 N CB 0.308 38.212 38.487 -0.973 0.000 1.224 35 N HN 0.238 nan 8.380 nan 0.000 0.488 36 V N 0.505 120.071 119.914 -0.579 0.000 2.628 36 V HA 0.358 4.480 4.120 0.003 0.000 0.306 36 V C -0.088 175.916 176.094 -0.149 0.000 1.045 36 V CA -1.096 60.979 62.300 -0.375 0.000 0.905 36 V CB 1.870 33.416 31.823 -0.461 0.000 0.997 36 V HN 0.383 nan 8.190 nan 0.000 0.436 37 D N 3.088 123.449 120.400 -0.065 0.000 2.339 37 D HA 0.148 4.790 4.640 0.003 0.000 0.241 37 D C 0.250 176.556 176.300 0.010 0.000 1.183 37 D CA -0.164 53.818 54.000 -0.031 0.000 0.859 37 D CB 1.130 41.910 40.800 -0.033 0.000 1.067 37 D HN 0.678 nan 8.370 nan 0.000 0.484 38 E N 3.051 123.267 120.200 0.027 0.000 2.304 38 E HA 0.094 4.445 4.350 0.003 0.000 0.212 38 E C 0.245 176.856 176.600 0.018 0.000 1.185 38 E CA -0.204 56.224 56.400 0.045 0.000 1.326 38 E CB 0.423 30.169 29.700 0.077 0.000 1.283 38 E HN 0.363 nan 8.360 nan 0.000 0.440 39 N N 0.180 118.879 118.700 -0.001 0.000 2.486 39 N HA -0.059 4.683 4.740 0.003 0.000 0.242 39 N C 0.144 175.639 175.510 -0.024 0.000 1.083 39 N CA 0.009 53.054 53.050 -0.009 0.000 0.844 39 N CB 0.428 38.910 38.487 -0.008 0.000 1.527 39 N HN 0.117 nan 8.380 nan 0.000 0.462 40 D N 3.817 124.194 120.400 -0.037 0.000 2.451 40 D HA -0.004 4.638 4.640 0.003 0.000 0.254 40 D C -1.265 174.989 176.300 -0.077 0.000 1.204 40 D CA -0.731 53.233 54.000 -0.060 0.000 0.896 40 D CB 1.357 42.108 40.800 -0.081 0.000 1.136 40 D HN 0.194 nan 8.370 nan 0.000 0.499 41 P HA 0.008 nan 4.420 nan 0.000 0.235 41 P C 0.229 177.483 177.300 -0.077 0.000 1.177 41 P CA 0.091 63.156 63.100 -0.059 0.000 0.785 41 P CB 0.588 32.265 31.700 -0.038 0.000 0.885 42 R N 1.240 121.686 120.500 -0.091 0.000 2.694 42 R HA 0.162 4.503 4.340 0.003 0.000 0.268 42 R C 0.769 176.977 176.300 -0.153 0.000 1.061 42 R CA -0.053 55.992 56.100 -0.092 0.000 1.133 42 R CB 0.450 30.707 30.300 -0.073 0.000 1.020 42 R HN 0.190 nan 8.270 nan 0.000 0.475 43 E N 2.203 122.348 120.200 -0.093 0.000 2.283 43 E HA 0.028 4.379 4.350 0.003 0.000 0.278 43 E C -0.856 175.716 176.600 -0.046 0.000 1.027 43 E CA -0.587 55.765 56.400 -0.080 0.000 0.843 43 E CB 0.577 30.285 29.700 0.013 0.000 1.062 43 E HN 0.313 nan 8.360 nan 0.000 0.401 44 Y N 3.237 123.578 120.300 0.069 0.000 2.810 44 Y HA -0.104 4.447 4.550 0.003 0.000 0.332 44 Y C 0.911 176.835 175.900 0.040 0.000 1.243 44 Y CA 0.665 58.796 58.100 0.052 0.000 1.537 44 Y CB 0.394 38.886 38.460 0.054 0.000 1.265 44 Y HN 0.677 nan 8.280 nan 0.000 0.572 45 D N 1.610 122.125 120.400 0.193 0.000 2.219 45 D HA 0.162 4.804 4.640 0.003 0.000 0.205 45 D C 0.119 176.448 176.300 0.048 0.000 0.970 45 D CA 1.478 55.539 54.000 0.102 0.000 0.851 45 D CB 0.269 41.115 40.800 0.076 0.000 0.943 45 D HN 0.563 nan 8.370 nan 0.000 0.488 46 A N -0.245 122.600 122.820 0.041 0.000 2.577 46 A HA 0.574 4.896 4.320 0.003 0.000 0.297 46 A C -1.565 175.917 177.584 -0.171 0.000 1.060 46 A CA -0.638 51.309 52.037 -0.150 0.000 0.697 46 A CB 1.029 19.790 19.000 -0.398 0.000 1.281 46 A HN 0.034 nan 8.150 nan 0.000 0.402 47 I N 1.518 121.939 120.570 -0.248 0.000 2.378 47 I HA 0.438 4.610 4.170 0.003 0.000 0.291 47 I C -1.237 174.733 176.117 -0.246 0.000 0.992 47 I CA -0.404 60.771 61.300 -0.209 0.000 1.154 47 I CB 1.508 39.410 38.000 -0.162 0.000 1.315 47 I HN 0.558 nan 8.210 nan 0.000 0.448 48 F N 6.299 126.167 119.950 -0.138 0.000 2.405 48 F HA 0.363 4.892 4.527 0.003 0.000 0.355 48 F C 0.317 176.066 175.800 -0.086 0.000 1.121 48 F CA -0.684 57.264 58.000 -0.086 0.000 1.112 48 F CB 0.893 39.849 39.000 -0.073 0.000 1.126 48 F HN 0.163 nan 8.300 nan 0.000 0.481 49 I N 3.986 124.598 120.570 0.070 0.000 2.260 49 I HA 0.432 4.604 4.170 0.003 0.000 0.297 49 I C 0.562 176.706 176.117 0.045 0.000 1.143 49 I CA -0.270 61.046 61.300 0.026 0.000 1.271 49 I CB -0.538 37.461 38.000 -0.001 0.000 1.461 49 I HN 0.694 nan 8.210 nan 0.000 0.530 50 G N 3.913 112.730 108.800 0.030 0.000 3.014 50 G HA2 0.090 4.052 3.960 0.003 0.000 0.683 50 G HA3 0.090 4.052 3.960 0.003 0.000 0.683 50 G C 0.008 174.925 174.900 0.029 0.000 1.271 50 G CA -0.536 44.575 45.100 0.019 0.000 0.843 50 G HN 0.845 nan 8.290 nan 0.000 0.612 51 G N 0.448 109.242 108.800 -0.009 0.000 4.044 51 G HA2 0.677 4.639 3.960 0.003 0.000 0.297 51 G HA3 0.677 4.639 3.960 0.003 0.000 0.297 51 G C 0.894 175.798 174.900 0.006 0.000 1.101 51 G CA 0.993 46.063 45.100 -0.049 0.000 0.884 51 G HN 1.305 nan 8.290 nan 0.000 0.538 52 G N -0.173 108.670 108.800 0.071 0.000 2.489 52 G HA2 0.432 4.394 3.960 0.003 0.000 0.271 52 G HA3 0.432 4.394 3.960 0.003 0.000 0.271 52 G C 1.531 176.496 174.900 0.108 0.000 1.427 52 G CA 0.376 45.551 45.100 0.126 0.000 1.057 52 G HN 0.416 nan 8.290 nan 0.000 0.532 53 A N -0.677 122.212 122.820 0.114 0.000 1.892 53 A HA 0.020 4.341 4.320 0.003 0.000 0.218 53 A C 2.736 180.382 177.584 0.102 0.000 1.188 53 A CA 3.104 55.201 52.037 0.101 0.000 0.631 53 A CB -1.035 17.962 19.000 -0.004 0.000 0.822 53 A HN 1.281 nan 8.150 nan 0.000 0.447 54 A N -0.908 121.952 122.820 0.068 0.000 1.872 54 A HA 0.212 4.534 4.320 0.003 0.000 0.214 54 A C 2.438 180.085 177.584 0.104 0.000 1.187 54 A CA 1.830 53.917 52.037 0.083 0.000 0.614 54 A CB -1.345 17.704 19.000 0.081 0.000 0.826 54 A HN 0.740 nan 8.150 nan 0.000 0.442 55 G N -0.760 108.084 108.800 0.074 0.000 2.404 55 G HA2 -0.216 3.745 3.960 0.003 0.000 0.215 55 G HA3 -0.216 3.745 3.960 0.003 0.000 0.215 55 G C 1.773 176.471 174.900 -0.337 0.000 1.174 55 G CA 0.969 46.040 45.100 -0.047 0.000 0.780 55 G HN 0.515 nan 8.290 nan 0.000 0.537 56 R N -0.828 119.588 120.500 -0.141 0.000 2.075 56 R HA 0.030 4.372 4.340 0.003 0.000 0.232 56 R C 2.308 178.500 176.300 -0.180 0.000 1.126 56 R CA 1.119 57.113 56.100 -0.177 0.000 0.963 56 R CB -0.353 29.909 30.300 -0.064 0.000 0.858 56 R HN 0.395 nan 8.270 nan 0.000 0.435 57 F N -0.379 119.483 119.950 -0.146 0.000 2.146 57 F HA -0.001 4.528 4.527 0.003 0.000 0.298 57 F C 2.408 178.158 175.800 -0.083 0.000 1.096 57 F CA 1.384 59.337 58.000 -0.079 0.000 1.275 57 F CB -0.464 38.521 39.000 -0.026 0.000 1.008 57 F HN 0.207 nan 8.300 nan 0.000 0.480 58 G N -1.093 107.723 108.800 0.027 0.000 2.418 58 G HA2 -0.242 3.720 3.960 0.003 0.000 0.217 58 G HA3 -0.242 3.720 3.960 0.003 0.000 0.217 58 G C 1.852 176.649 174.900 -0.170 0.000 1.158 58 G CA 1.141 46.265 45.100 0.040 0.000 0.771 58 G HN 0.316 nan 8.290 nan 0.000 0.545 59 S N 0.903 116.176 115.700 -0.711 0.000 2.368 59 S HA 0.005 4.477 4.470 0.003 0.000 0.225 59 S C 2.812 177.283 174.600 -0.214 0.000 1.030 59 S CA 1.188 59.039 58.200 -0.582 0.000 0.999 59 S CB -0.385 62.405 63.200 -0.684 0.000 0.844 59 S HN 0.590 nan 8.310 nan 0.000 0.459 60 A N 0.216 122.905 122.820 -0.218 0.000 1.908 60 A HA -0.142 4.180 4.320 0.003 0.000 0.218 60 A C 1.980 179.503 177.584 -0.101 0.000 1.181 60 A CA 1.593 53.517 52.037 -0.188 0.000 0.627 60 A CB -0.917 17.893 19.000 -0.317 0.000 0.818 60 A HN 0.568 nan 8.150 nan 0.000 0.445 61 Y N -0.353 119.879 120.300 -0.113 0.000 2.184 61 Y HA -0.074 4.477 4.550 0.003 0.000 0.290 61 Y C 2.152 178.032 175.900 -0.033 0.000 1.129 61 Y CA 1.636 59.702 58.100 -0.058 0.000 1.144 61 Y CB -0.232 38.214 38.460 -0.023 0.000 0.995 61 Y HN 0.289 nan 8.280 nan 0.000 0.513 62 L N -0.182 121.156 121.223 0.191 0.000 2.012 62 L HA -0.269 4.073 4.340 0.003 0.000 0.210 62 L C 2.652 179.552 176.870 0.050 0.000 1.073 62 L CA 1.927 56.858 54.840 0.152 0.000 0.748 62 L CB -0.334 41.855 42.059 0.217 0.000 0.891 62 L HN 0.121 nan 8.230 nan 0.000 0.431 63 R N 0.348 120.853 120.500 0.009 0.000 2.083 63 R HA -0.157 4.184 4.340 0.003 0.000 0.237 63 R C 2.141 178.398 176.300 -0.071 0.000 1.137 63 R CA 1.881 57.966 56.100 -0.026 0.000 0.951 63 R CB -0.905 29.364 30.300 -0.052 0.000 0.851 63 R HN 0.500 nan 8.270 nan 0.000 0.434 64 A N 0.094 122.836 122.820 -0.131 0.000 1.978 64 A HA -0.155 4.167 4.320 0.003 0.000 0.220 64 A C 2.154 179.631 177.584 -0.178 0.000 1.170 64 A CA 1.806 53.729 52.037 -0.190 0.000 0.636 64 A CB -0.500 18.311 19.000 -0.315 0.000 0.810 64 A HN 0.447 nan 8.150 nan 0.000 0.448 65 M N -1.815 117.695 119.600 -0.149 0.000 2.562 65 M HA 0.116 4.598 4.480 0.003 0.000 0.257 65 M C 1.436 177.711 176.300 -0.042 0.000 1.099 65 M CA 0.947 56.195 55.300 -0.088 0.000 1.099 65 M CB 0.168 32.763 32.600 -0.009 0.000 1.427 65 M HN 0.661 nan 8.290 nan 0.000 0.489 66 G N -0.058 108.719 108.800 -0.037 0.000 2.179 66 G HA2 -0.153 3.809 3.960 0.003 0.000 0.220 66 G HA3 -0.153 3.809 3.960 0.003 0.000 0.220 66 G C 0.260 175.161 174.900 0.002 0.000 0.990 66 G CA -0.330 44.757 45.100 -0.021 0.000 0.646 66 G HN 0.608 nan 8.290 nan 0.000 0.517 67 G N -0.740 108.072 108.800 0.020 0.000 2.557 67 G HA2 0.609 4.571 3.960 0.003 0.000 0.292 67 G HA3 0.609 4.571 3.960 0.003 0.000 0.292 67 G C -0.125 174.814 174.900 0.065 0.000 1.237 67 G CA -0.295 44.832 45.100 0.045 0.000 0.978 67 G HN 0.457 nan 8.290 nan 0.000 0.498 68 R N -0.279 120.281 120.500 0.100 0.000 2.589 68 R HA 0.512 4.854 4.340 0.003 0.000 0.293 68 R C -0.828 175.643 176.300 0.285 0.000 0.963 68 R CA -0.563 55.635 56.100 0.164 0.000 0.905 68 R CB 1.414 31.782 30.300 0.114 0.000 1.144 68 R HN 0.678 nan 8.270 nan 0.000 0.459 69 Q N 2.811 122.791 119.800 0.300 0.000 2.456 69 Q HA 0.555 4.897 4.340 0.003 0.000 0.284 69 Q C -1.922 174.039 176.000 -0.065 0.000 1.061 69 Q CA -0.982 54.953 55.803 0.219 0.000 0.799 69 Q CB 1.813 30.722 28.738 0.285 0.000 1.445 69 Q HN 0.406 nan 8.270 nan 0.000 0.411 70 L N 1.009 122.059 121.223 -0.289 0.000 2.436 70 L HA 0.696 5.038 4.340 0.003 0.000 0.268 70 L C -1.833 174.927 176.870 -0.184 0.000 0.974 70 L CA -0.673 53.855 54.840 -0.520 0.000 0.826 70 L CB 1.988 43.294 42.059 -1.255 0.000 1.291 70 L HN 0.886 nan 8.230 nan 0.000 0.406 71 I N 4.942 125.423 120.570 -0.148 0.000 2.412 71 I HA 0.597 4.769 4.170 0.003 0.000 0.296 71 I C -0.880 175.171 176.117 -0.110 0.000 0.987 71 I CA -0.922 60.337 61.300 -0.068 0.000 1.180 71 I CB 2.017 39.965 38.000 -0.087 0.000 1.340 71 I HN 0.268 nan 8.210 nan 0.000 0.455 72 V N 4.992 124.855 119.914 -0.085 0.000 2.483 72 V HA 0.448 4.569 4.120 0.003 0.000 0.297 72 V C -0.788 175.264 176.094 -0.070 0.000 1.027 72 V CA -0.535 61.712 62.300 -0.088 0.000 0.855 72 V CB 1.922 33.691 31.823 -0.089 0.000 0.995 72 V HN 0.677 nan 8.190 nan 0.000 0.424 73 D N 3.214 123.563 120.400 -0.084 0.000 2.879 73 D HA 0.294 4.936 4.640 0.003 0.000 0.236 73 D C 0.884 177.110 176.300 -0.124 0.000 1.171 73 D CA -0.633 53.302 54.000 -0.109 0.000 0.868 73 D CB 2.507 43.231 40.800 -0.126 0.000 1.598 73 D HN 0.631 nan 8.370 nan 0.000 0.497 74 R N 1.699 122.092 120.500 -0.179 0.000 2.285 74 R HA 0.011 4.353 4.340 0.003 0.000 0.213 74 R C 0.333 176.513 176.300 -0.200 0.000 1.068 74 R CA 0.179 56.160 56.100 -0.199 0.000 1.004 74 R CB 0.190 30.325 30.300 -0.274 0.000 0.873 74 R HN 0.258 nan 8.270 nan 0.000 0.467 75 W N 1.978 123.054 121.300 -0.374 0.000 2.448 75 W HA 0.283 4.944 4.660 0.003 0.000 0.339 75 W C -1.818 174.344 176.519 -0.596 0.000 1.124 75 W CA -2.846 54.110 57.345 -0.648 0.000 1.262 75 W CB 1.118 29.798 29.460 -1.299 0.000 1.251 75 W HN -0.123 nan 8.180 nan 0.000 0.597 76 P HA -0.023 nan 4.420 nan 0.000 0.253 76 P C -0.595 176.653 177.300 -0.087 0.000 1.281 76 P CA 0.652 63.718 63.100 -0.057 0.000 0.792 76 P CB -0.207 31.559 31.700 0.109 0.000 1.193 77 F N -2.079 117.760 119.950 -0.185 0.000 2.626 77 F HA 0.596 5.125 4.527 0.003 0.000 0.311 77 F C -0.940 174.709 175.800 -0.253 0.000 1.088 77 F CA -2.039 55.782 58.000 -0.300 0.000 0.949 77 F CB 0.466 39.172 39.000 -0.491 0.000 1.322 77 F HN -0.388 nan 8.300 nan 0.000 0.461 78 L N 1.056 122.248 121.223 -0.052 0.000 2.400 78 L HA 0.746 5.088 4.340 0.003 0.000 0.264 78 L C 1.075 178.038 176.870 0.155 0.000 1.061 78 L CA -0.114 54.678 54.840 -0.079 0.000 0.799 78 L CB 1.333 43.223 42.059 -0.282 0.000 1.240 78 L HN 1.159 nan 8.230 nan 0.000 0.461 79 G N -0.424 108.450 108.800 0.123 0.000 2.284 79 G HA2 -0.020 3.941 3.960 0.003 0.000 0.216 79 G HA3 -0.020 3.941 3.960 0.003 0.000 0.216 79 G C 0.640 175.682 174.900 0.238 0.000 1.009 79 G CA -0.132 45.073 45.100 0.176 0.000 0.625 79 G HN 1.470 nan 8.290 nan 0.000 0.501 80 G N -0.139 108.862 108.800 0.335 0.000 2.528 80 G HA2 0.040 4.002 3.960 0.003 0.000 0.262 80 G HA3 0.040 4.002 3.960 0.003 0.000 0.262 80 G C 1.565 176.744 174.900 0.464 0.000 1.200 80 G CA 2.454 47.818 45.100 0.440 0.000 0.951 80 G HN 2.073 nan 8.290 nan 0.000 0.566 81 S N -0.780 115.207 115.700 0.479 0.000 2.402 81 S HA -0.144 4.328 4.470 0.003 0.000 0.229 81 S C 2.538 177.314 174.600 0.293 0.000 1.021 81 S CA 2.329 60.794 58.200 0.442 0.000 0.974 81 S CB -1.045 62.419 63.200 0.440 0.000 0.800 81 S HN 1.878 nan 8.310 nan 0.000 0.484 82 C N 3.598 123.029 119.300 0.219 0.000 2.349 82 C HA -0.044 4.417 4.460 0.003 0.000 0.274 82 C C 0.033 175.091 174.990 0.112 0.000 1.178 82 C CA 1.788 60.891 59.018 0.141 0.000 1.769 82 C CB -1.355 26.445 27.740 0.100 0.000 2.047 82 C HN 0.598 nan 8.230 nan 0.000 0.448 83 P HA -0.011 nan 4.420 nan 0.000 0.235 83 P C 0.801 178.168 177.300 0.112 0.000 1.177 83 P CA 1.618 64.746 63.100 0.046 0.000 0.785 83 P CB -0.268 31.414 31.700 -0.030 0.000 0.885 84 H N 1.716 120.800 119.070 0.023 0.000 2.431 84 H HA 0.034 4.592 4.556 0.003 0.000 0.295 84 H C 1.013 176.518 175.328 0.295 0.000 1.038 84 H CA 1.892 57.961 56.048 0.035 0.000 1.360 84 H CB 0.224 29.806 29.762 -0.301 0.000 1.433 84 H HN 0.160 nan 8.280 nan 0.000 0.536 85 N N -1.928 116.946 118.700 0.289 0.000 2.036 85 N HA 0.231 4.973 4.740 0.003 0.000 0.224 85 N C -0.097 175.650 175.510 0.395 0.000 1.381 85 N CA 0.415 53.648 53.050 0.304 0.000 0.746 85 N CB 0.221 38.935 38.487 0.378 0.000 1.213 85 N HN 0.232 nan 8.380 nan 0.000 0.524 86 A N 0.370 123.342 122.820 0.253 0.000 2.939 86 A HA 0.412 4.733 4.320 0.003 0.000 0.207 86 A C 1.660 179.343 177.584 0.165 0.000 1.881 86 A CA 0.514 52.665 52.037 0.191 0.000 1.796 86 A CB -0.729 18.361 19.000 0.151 0.000 1.411 86 A HN 0.240 nan 8.150 nan 0.000 0.422 87 C N -0.154 119.252 119.300 0.176 0.000 2.385 87 C HA -0.087 4.375 4.460 0.003 0.000 0.275 87 C C 2.555 177.585 174.990 0.066 0.000 1.207 87 C CA 1.101 60.255 59.018 0.226 0.000 1.760 87 C CB -1.660 26.155 27.740 0.124 0.000 2.051 87 C HN 0.410 nan 8.230 nan 0.000 0.467 88 V N 2.843 122.721 119.914 -0.060 0.000 2.237 88 V HA -0.157 3.965 4.120 0.003 0.000 0.245 88 V C 0.323 176.179 176.094 -0.396 0.000 1.046 88 V CA 2.733 64.935 62.300 -0.164 0.000 1.007 88 V CB -2.006 29.780 31.823 -0.061 0.000 0.638 88 V HN 0.405 nan 8.190 nan 0.000 0.445 89 P HA -0.220 nan 4.420 nan 0.000 0.217 89 P C 1.532 178.026 177.300 -1.343 0.000 1.150 89 P CA 2.174 64.346 63.100 -1.545 0.000 0.832 89 P CB -0.254 30.165 31.700 -2.136 0.000 0.787 90 H N 0.632 119.283 119.070 -0.699 0.000 2.319 90 H HA -0.193 4.365 4.556 0.003 0.000 0.297 90 H C 2.023 177.042 175.328 -0.515 0.000 1.097 90 H CA 1.840 57.581 56.048 -0.511 0.000 1.285 90 H CB -1.421 28.288 29.762 -0.088 0.000 1.368 90 H HN 0.238 nan 8.280 nan 0.000 0.495 91 H N -0.782 117.840 119.070 -0.747 0.000 2.423 91 H HA -0.075 4.482 4.556 0.003 0.000 0.297 91 H C 2.313 177.353 175.328 -0.480 0.000 1.075 91 H CA 1.166 56.833 56.048 -0.635 0.000 1.342 91 H CB 0.048 29.541 29.762 -0.448 0.000 1.395 91 H HN 0.370 nan 8.280 nan 0.000 0.530 92 L N 0.531 121.490 121.223 -0.440 0.000 2.056 92 L HA -0.111 4.231 4.340 0.003 0.000 0.207 92 L C 2.058 178.720 176.870 -0.345 0.000 1.078 92 L CA 1.406 56.021 54.840 -0.376 0.000 0.749 92 L CB -0.869 40.925 42.059 -0.442 0.000 0.901 92 L HN 0.097 nan 8.230 nan 0.000 0.433 93 F N -1.187 118.395 119.950 -0.614 0.000 2.186 93 F HA -0.175 4.353 4.527 0.003 0.000 0.299 93 F C 2.452 177.891 175.800 -0.603 0.000 1.090 93 F CA 0.709 58.122 58.000 -0.978 0.000 1.307 93 F CB -0.415 37.758 39.000 -1.378 0.000 1.019 93 F HN 0.054 nan 8.300 nan 0.000 0.489 94 S N -0.292 115.205 115.700 -0.338 0.000 2.406 94 S HA -0.168 4.304 4.470 0.003 0.000 0.228 94 S C 1.367 175.834 174.600 -0.223 0.000 1.020 94 S CA 1.130 59.119 58.200 -0.352 0.000 0.965 94 S CB -0.298 62.411 63.200 -0.817 0.000 0.798 94 S HN 0.278 nan 8.310 nan 0.000 0.488 95 D N 0.884 121.160 120.400 -0.206 0.000 2.097 95 D HA -0.070 4.571 4.640 0.003 0.000 0.195 95 D C 2.009 178.299 176.300 -0.016 0.000 0.989 95 D CA 0.844 54.791 54.000 -0.089 0.000 0.827 95 D CB -0.365 40.385 40.800 -0.082 0.000 0.966 95 D HN 0.332 nan 8.370 nan 0.000 0.456 96 C N 0.537 119.838 119.300 0.003 0.000 2.429 96 C HA -0.047 4.415 4.460 0.003 0.000 0.277 96 C C 2.834 177.922 174.990 0.162 0.000 1.262 96 C CA 0.795 59.878 59.018 0.108 0.000 1.733 96 C CB -1.098 26.754 27.740 0.187 0.000 2.010 96 C HN 0.373 nan 8.230 nan 0.000 0.483 97 A N 0.501 123.421 122.820 0.167 0.000 1.902 97 A HA 0.046 4.368 4.320 0.003 0.000 0.217 97 A C 2.356 180.054 177.584 0.190 0.000 1.181 97 A CA 2.146 54.291 52.037 0.180 0.000 0.623 97 A CB -0.859 18.174 19.000 0.055 0.000 0.818 97 A HN 0.577 nan 8.150 nan 0.000 0.443 98 A N -0.587 122.314 122.820 0.135 0.000 1.898 98 A HA -0.103 4.219 4.320 0.003 0.000 0.216 98 A C 1.956 179.593 177.584 0.087 0.000 1.181 98 A CA 1.570 53.693 52.037 0.143 0.000 0.620 98 A CB -0.391 18.678 19.000 0.115 0.000 0.819 98 A HN 0.435 nan 8.150 nan 0.000 0.442 99 E N 0.047 120.287 120.200 0.067 0.000 2.106 99 E HA -0.105 4.247 4.350 0.003 0.000 0.192 99 E C 2.016 178.682 176.600 0.110 0.000 0.984 99 E CA 0.810 57.261 56.400 0.084 0.000 0.806 99 E CB -0.364 29.388 29.700 0.086 0.000 0.750 99 E HN 0.661 nan 8.360 nan 0.000 0.458 100 L N 0.274 121.562 121.223 0.107 0.000 2.156 100 L HA -0.066 4.276 4.340 0.003 0.000 0.208 100 L C 2.665 179.562 176.870 0.046 0.000 1.095 100 L CA 0.719 55.611 54.840 0.085 0.000 0.770 100 L CB -0.272 41.839 42.059 0.086 0.000 0.914 100 L HN 0.145 nan 8.230 nan 0.000 0.439 101 M N -0.431 119.203 119.600 0.057 0.000 2.117 101 M HA -0.240 4.242 4.480 0.003 0.000 0.262 101 M C 2.215 178.530 176.300 0.025 0.000 1.065 101 M CA 1.744 57.030 55.300 -0.022 0.000 1.114 101 M CB 0.013 32.573 32.600 -0.066 0.000 1.361 101 M HN 0.227 nan 8.290 nan 0.000 0.408 102 L N 0.759 122.042 121.223 0.100 0.000 2.017 102 L HA -0.059 4.283 4.340 0.003 0.000 0.208 102 L C 2.478 179.254 176.870 -0.157 0.000 1.073 102 L CA 2.210 57.090 54.840 0.066 0.000 0.745 102 L CB -0.916 41.165 42.059 0.037 0.000 0.894 102 L HN 0.346 nan 8.230 nan 0.000 0.432 103 A N -0.562 122.207 122.820 -0.086 0.000 1.933 103 A HA -0.194 4.128 4.320 0.003 0.000 0.218 103 A C 2.410 179.914 177.584 -0.133 0.000 1.175 103 A CA 1.710 53.690 52.037 -0.095 0.000 0.628 103 A CB -0.514 18.566 19.000 0.134 0.000 0.814 103 A HN 0.507 nan 8.150 nan 0.000 0.444 104 R N -1.143 119.294 120.500 -0.105 0.000 2.090 104 R HA -0.043 4.299 4.340 0.003 0.000 0.228 104 R C 2.160 178.341 176.300 -0.199 0.000 1.110 104 R CA 1.584 57.612 56.100 -0.120 0.000 0.973 104 R CB -0.574 29.664 30.300 -0.103 0.000 0.869 104 R HN 0.495 nan 8.270 nan 0.000 0.440 105 T N 0.422 114.814 114.554 -0.269 0.000 2.777 105 T HA -0.078 4.274 4.350 0.003 0.000 0.266 105 T C 0.855 175.124 174.700 -0.719 0.000 1.040 105 T CA 1.226 63.045 62.100 -0.469 0.000 1.141 105 T CB -0.076 68.504 68.868 -0.480 0.000 0.868 105 T HN 0.125 nan 8.240 nan 0.000 0.444 106 F N 1.438 121.166 119.950 -0.369 0.000 2.750 106 F HA 0.398 4.927 4.527 0.002 0.000 0.297 106 F C 1.079 176.698 175.800 -0.303 0.000 1.138 106 F CA -0.697 57.057 58.000 -0.409 0.000 1.346 106 F CB 0.077 38.635 39.000 -0.738 0.000 0.965 106 F HN -0.061 nan 8.300 nan 0.000 0.514 107 S N 0.845 116.469 115.700 -0.127 0.000 2.626 107 S HA 0.260 4.732 4.470 0.003 0.000 0.303 107 S C 1.390 175.985 174.600 -0.007 0.000 1.256 107 S CA 0.952 59.130 58.200 -0.036 0.000 1.069 107 S CB 0.040 63.207 63.200 -0.055 0.000 0.807 107 S HN 0.959 nan 8.310 nan 0.000 0.500 108 G N 3.613 112.434 108.800 0.034 0.000 2.168 108 G HA2 -0.223 3.739 3.960 0.003 0.000 0.257 108 G HA3 -0.223 3.739 3.960 0.003 0.000 0.257 108 G C -0.119 174.755 174.900 -0.042 0.000 0.997 108 G CA 0.612 45.714 45.100 0.004 0.000 0.708 108 G HN 0.804 nan 8.290 nan 0.000 0.520 109 Q N -1.542 118.236 119.800 -0.036 0.000 2.387 109 Q HA 0.633 4.975 4.340 0.003 0.000 0.273 109 Q C 0.877 176.748 176.000 -0.215 0.000 1.089 109 Q CA -0.932 54.714 55.803 -0.262 0.000 0.824 109 Q CB 1.632 30.192 28.738 -0.297 0.000 1.367 109 Q HN 0.402 nan 8.270 nan 0.000 0.443 110 Y N -1.160 119.153 120.300 0.021 0.000 2.845 110 Y HA -0.433 4.118 4.550 0.003 0.000 0.468 110 Y C 1.177 177.071 175.900 -0.010 0.000 1.163 110 Y CA 1.735 59.828 58.100 -0.012 0.000 2.636 110 Y CB -1.223 37.127 38.460 -0.182 0.000 1.194 110 Y HN 0.912 nan 8.280 nan 0.000 0.626 111 W N -0.499 120.828 121.300 0.046 0.000 3.290 111 W HA 0.463 5.124 4.660 0.002 0.000 0.287 111 W C -0.328 176.095 176.519 -0.161 0.000 1.288 111 W CA -0.805 56.465 57.345 -0.126 0.000 1.725 111 W CB -0.560 28.753 29.460 -0.244 0.000 1.103 111 W HN 0.047 nan 8.180 nan 0.000 0.670 112 F N 5.126 124.832 119.950 -0.407 0.000 2.504 112 F HA 0.267 4.795 4.527 0.002 0.000 0.369 112 F C -1.064 174.695 175.800 -0.068 0.000 1.082 112 F CA -2.525 55.332 58.000 -0.238 0.000 1.216 112 F CB -0.085 38.758 39.000 -0.262 0.000 1.108 112 F HN -0.252 nan 8.300 nan 0.000 0.554 113 P HA -0.013 nan 4.420 nan 0.000 0.275 113 P C -0.736 176.613 177.300 0.081 0.000 1.266 113 P CA -0.421 62.738 63.100 0.100 0.000 0.793 113 P CB 0.793 32.548 31.700 0.092 0.000 1.074 114 D N 1.000 121.428 120.400 0.046 0.000 2.371 114 D HA 0.071 4.713 4.640 0.003 0.000 0.256 114 D C 0.780 177.092 176.300 0.020 0.000 1.193 114 D CA 0.071 54.085 54.000 0.023 0.000 0.881 114 D CB 0.248 41.054 40.800 0.011 0.000 1.143 114 D HN 0.080 nan 8.370 nan 0.000 0.473 115 M N 2.651 122.255 119.600 0.007 0.000 2.371 115 M HA -0.001 4.481 4.480 0.003 0.000 0.246 115 M C 1.638 177.928 176.300 -0.016 0.000 1.103 115 M CA 0.085 55.385 55.300 -0.000 0.000 1.010 115 M CB -0.599 31.997 32.600 -0.008 0.000 1.457 115 M HN 0.313 nan 8.290 nan 0.000 0.486 116 T N 1.634 116.176 114.554 -0.019 0.000 2.531 116 T HA -0.186 4.166 4.350 0.003 0.000 0.261 116 T C 1.366 176.053 174.700 -0.022 0.000 1.141 116 T CA 1.680 63.766 62.100 -0.024 0.000 1.176 116 T CB -0.074 68.782 68.868 -0.020 0.000 0.863 116 T HN 0.355 nan 8.240 nan 0.000 0.424 117 E N 0.676 120.867 120.200 -0.016 0.000 2.465 117 E HA 0.169 4.521 4.350 0.003 0.000 0.195 117 E C 0.256 176.847 176.600 -0.016 0.000 1.028 117 E CA -0.094 56.296 56.400 -0.016 0.000 0.899 117 E CB 0.284 29.977 29.700 -0.012 0.000 1.032 117 E HN 0.223 nan 8.360 nan 0.000 0.468 118 K N 1.214 121.605 120.400 -0.015 0.000 2.312 118 K HA 0.181 4.502 4.320 0.003 0.000 0.287 118 K C -0.810 175.775 176.600 -0.025 0.000 1.062 118 K CA -0.221 56.058 56.287 -0.013 0.000 0.934 118 K CB 0.628 33.127 32.500 -0.002 0.000 1.027 118 K HN -0.263 nan 8.250 nan 0.000 0.478 119 V N 5.917 125.813 119.914 -0.031 0.000 2.407 119 V HA 0.312 4.433 4.120 0.003 0.000 0.291 119 V C -0.485 175.578 176.094 -0.051 0.000 1.018 119 V CA -1.064 61.206 62.300 -0.051 0.000 0.842 119 V CB 1.711 33.500 31.823 -0.057 0.000 0.996 119 V HN 0.565 nan 8.190 nan 0.000 0.426 120 V N 3.552 123.429 119.914 -0.062 0.000 2.732 120 V HA 0.516 4.638 4.120 0.003 0.000 0.297 120 V C 1.081 177.123 176.094 -0.087 0.000 1.060 120 V CA -0.109 62.162 62.300 -0.049 0.000 1.038 120 V CB 1.629 33.434 31.823 -0.030 0.000 1.003 120 V HN 0.947 nan 8.190 nan 0.000 0.481 121 G N 2.597 111.361 108.800 -0.061 0.000 2.355 121 G HA2 0.425 4.387 3.960 0.003 0.000 0.276 121 G HA3 0.425 4.387 3.960 0.003 0.000 0.276 121 G C 0.720 175.561 174.900 -0.097 0.000 1.198 121 G CA -0.410 44.635 45.100 -0.093 0.000 0.876 121 G HN 0.709 nan 8.290 nan 0.000 0.478 122 I N 1.478 121.927 120.570 -0.202 0.000 2.252 122 I HA -0.132 4.040 4.170 0.003 0.000 0.245 122 I C 2.743 178.787 176.117 -0.122 0.000 1.102 122 I CA 1.097 62.284 61.300 -0.188 0.000 1.385 122 I CB -0.016 37.715 38.000 -0.447 0.000 1.064 122 I HN 0.590 nan 8.210 nan 0.000 0.414 123 K N 1.176 121.461 120.400 -0.192 0.000 2.097 123 K HA -0.246 4.076 4.320 0.003 0.000 0.206 123 K C 2.074 178.659 176.600 -0.026 0.000 1.049 123 K CA 1.530 57.742 56.287 -0.126 0.000 0.933 123 K CB -0.061 32.350 32.500 -0.147 0.000 0.717 123 K HN 0.240 nan 8.250 nan 0.000 0.442 124 E N 0.044 120.232 120.200 -0.020 0.000 2.070 124 E HA -0.199 4.152 4.350 0.003 0.000 0.197 124 E C 1.804 178.444 176.600 0.067 0.000 1.004 124 E CA 1.709 58.122 56.400 0.020 0.000 0.805 124 E CB 0.116 29.824 29.700 0.014 0.000 0.744 124 E HN 0.167 nan 8.360 nan 0.000 0.451 125 V N 0.199 120.173 119.914 0.101 0.000 2.453 125 V HA -0.173 3.949 4.120 0.003 0.000 0.247 125 V C 2.312 178.542 176.094 0.226 0.000 1.048 125 V CA 0.995 63.395 62.300 0.165 0.000 1.049 125 V CB 0.079 32.045 31.823 0.239 0.000 0.672 125 V HN 0.173 nan 8.190 nan 0.000 0.457 126 V N 0.176 120.192 119.914 0.171 0.000 2.427 126 V HA -0.223 3.898 4.120 0.003 0.000 0.248 126 V C 2.241 178.489 176.094 0.256 0.000 1.051 126 V CA 2.015 64.487 62.300 0.286 0.000 1.048 126 V CB -0.634 31.282 31.823 0.156 0.000 0.666 126 V HN 0.530 nan 8.190 nan 0.000 0.456 127 D N -0.082 120.400 120.400 0.138 0.000 2.178 127 D HA -0.132 4.509 4.640 0.003 0.000 0.201 127 D C 1.929 178.272 176.300 0.072 0.000 0.980 127 D CA 0.974 55.026 54.000 0.087 0.000 0.842 127 D CB -0.211 40.621 40.800 0.052 0.000 0.948 127 D HN 0.378 nan 8.370 nan 0.000 0.472 128 L N -0.069 121.215 121.223 0.102 0.000 2.046 128 L HA -0.085 4.256 4.340 0.003 0.000 0.208 128 L C 2.051 178.960 176.870 0.065 0.000 1.077 128 L CA 1.465 56.349 54.840 0.074 0.000 0.747 128 L CB -0.848 41.267 42.059 0.093 0.000 0.896 128 L HN 0.027 nan 8.230 nan 0.000 0.432 129 F N 0.246 120.201 119.950 0.008 0.000 2.134 129 F HA -0.190 4.339 4.527 0.003 0.000 0.299 129 F C 2.495 178.247 175.800 -0.080 0.000 1.097 129 F CA 1.514 59.475 58.000 -0.065 0.000 1.264 129 F CB -0.153 38.803 39.000 -0.073 0.000 1.001 129 F HN -0.008 nan 8.300 nan 0.000 0.479 130 R N 0.318 120.645 120.500 -0.288 0.000 2.096 130 R HA -0.106 4.236 4.340 0.003 0.000 0.235 130 R C 2.371 178.496 176.300 -0.291 0.000 1.127 130 R CA 1.189 57.074 56.100 -0.358 0.000 0.968 130 R CB -0.737 29.516 30.300 -0.078 0.000 0.861 130 R HN 0.399 nan 8.270 nan 0.000 0.440 131 A N -0.024 122.693 122.820 -0.173 0.000 2.119 131 A HA 0.017 4.338 4.320 0.003 0.000 0.217 131 A C 1.818 179.307 177.584 -0.158 0.000 1.153 131 A CA 1.444 53.408 52.037 -0.122 0.000 0.692 131 A CB -0.076 18.889 19.000 -0.059 0.000 0.799 131 A HN 0.456 nan 8.150 nan 0.000 0.458 132 G N -0.620 108.036 108.800 -0.240 0.000 3.274 132 G HA2 0.158 4.119 3.960 0.003 0.000 0.250 132 G HA3 0.158 4.119 3.960 0.003 0.000 0.250 132 G C 1.210 175.902 174.900 -0.346 0.000 1.024 132 G CA 0.375 45.340 45.100 -0.225 0.000 0.840 132 G HN 0.608 nan 8.290 nan 0.000 0.522 133 R N 0.108 120.255 120.500 -0.589 0.000 2.280 133 R HA 0.136 4.477 4.340 0.003 0.000 0.207 133 R C 1.288 177.089 176.300 -0.832 0.000 1.043 133 R CA 0.669 56.293 56.100 -0.794 0.000 1.006 133 R CB -0.275 29.274 30.300 -1.253 0.000 0.885 133 R HN 0.051 nan 8.270 nan 0.000 0.467 134 N N 0.851 119.279 118.700 -0.453 0.000 2.494 134 N HA -0.033 4.708 4.740 0.003 0.000 0.182 134 N C 1.538 176.958 175.510 -0.151 0.000 1.076 134 N CA 0.984 53.906 53.050 -0.212 0.000 0.908 134 N CB 0.300 38.792 38.487 0.010 0.000 0.967 134 N HN 0.505 nan 8.380 nan 0.000 0.449 135 G N 2.161 110.841 108.800 -0.200 0.000 2.434 135 G HA2 -0.148 3.814 3.960 0.003 0.000 0.214 135 G HA3 -0.148 3.814 3.960 0.003 0.000 0.214 135 G C -0.758 174.069 174.900 -0.121 0.000 1.202 135 G CA 0.438 45.465 45.100 -0.121 0.000 0.788 135 G HN 0.298 nan 8.290 nan 0.000 0.539 136 P HA -0.074 nan 4.420 nan 0.000 0.217 136 P C 1.445 178.688 177.300 -0.094 0.000 1.150 136 P CA 1.049 64.055 63.100 -0.157 0.000 0.832 136 P CB -0.051 31.526 31.700 -0.206 0.000 0.787 137 H N -0.711 118.263 119.070 -0.159 0.000 2.319 137 H HA -0.067 4.491 4.556 0.003 0.000 0.299 137 H C 2.270 177.571 175.328 -0.045 0.000 1.092 137 H CA 1.856 57.806 56.048 -0.163 0.000 1.302 137 H CB -1.328 28.304 29.762 -0.217 0.000 1.373 137 H HN 0.119 nan 8.280 nan 0.000 0.497 138 G N 0.792 109.680 108.800 0.146 0.000 2.446 138 G HA2 -0.211 3.751 3.960 0.003 0.000 0.217 138 G HA3 -0.211 3.751 3.960 0.003 0.000 0.217 138 G C 1.957 176.934 174.900 0.129 0.000 1.168 138 G CA 1.000 46.212 45.100 0.186 0.000 0.771 138 G HN 0.357 nan 8.290 nan 0.000 0.551 139 I N 0.507 121.118 120.570 0.069 0.000 2.208 139 I HA -0.201 3.971 4.170 0.003 0.000 0.245 139 I C 2.948 179.121 176.117 0.094 0.000 1.097 139 I CA 0.890 62.238 61.300 0.080 0.000 1.363 139 I CB -0.200 37.815 38.000 0.026 0.000 1.051 139 I HN 0.132 nan 8.210 nan 0.000 0.413 140 M N 0.203 119.815 119.600 0.021 0.000 2.065 140 M HA -0.229 4.253 4.480 0.003 0.000 0.259 140 M C 2.036 178.240 176.300 -0.160 0.000 1.069 140 M CA 1.954 57.231 55.300 -0.039 0.000 1.110 140 M CB -1.640 30.951 32.600 -0.015 0.000 1.328 140 M HN 0.351 nan 8.290 nan 0.000 0.405 141 N N -0.458 118.059 118.700 -0.305 0.000 2.120 141 N HA -0.184 4.557 4.740 0.003 0.000 0.188 141 N C 1.743 176.966 175.510 -0.479 0.000 1.024 141 N CA 1.206 53.852 53.050 -0.673 0.000 0.852 141 N CB -0.228 37.453 38.487 -1.342 0.000 1.003 141 N HN 0.177 nan 8.380 nan 0.000 0.424 142 F N 2.337 122.047 119.950 -0.401 0.000 2.051 142 F HA -0.234 4.295 4.527 0.003 0.000 0.296 142 F C 2.797 178.606 175.800 0.016 0.000 1.122 142 F CA 1.593 59.583 58.000 -0.017 0.000 1.201 142 F CB -0.579 38.521 39.000 0.167 0.000 0.978 142 F HN -0.008 nan 8.300 nan 0.000 0.472 143 Q N 0.029 119.928 119.800 0.165 0.000 2.135 143 Q HA -0.201 4.140 4.340 0.003 0.000 0.204 143 Q C 2.207 178.126 176.000 -0.134 0.000 0.981 143 Q CA 2.210 58.018 55.803 0.009 0.000 0.856 143 Q CB -0.256 28.547 28.738 0.109 0.000 0.902 143 Q HN 0.510 nan 8.270 nan 0.000 0.425 144 S N 0.487 116.121 115.700 -0.110 0.000 2.356 144 S HA -0.144 4.327 4.470 0.003 0.000 0.223 144 S C 1.761 176.343 174.600 -0.030 0.000 1.032 144 S CA 1.467 59.617 58.200 -0.084 0.000 1.005 144 S CB -0.169 62.974 63.200 -0.094 0.000 0.867 144 S HN 0.358 nan 8.310 nan 0.000 0.449 145 K N 0.765 121.163 120.400 -0.003 0.000 2.021 145 K HA -0.039 4.282 4.320 0.003 0.000 0.205 145 K C 1.879 178.394 176.600 -0.141 0.000 1.047 145 K CA 1.093 57.347 56.287 -0.056 0.000 0.943 145 K CB 0.014 32.518 32.500 0.007 0.000 0.725 145 K HN 0.094 nan 8.250 nan 0.000 0.439 146 E N 0.503 120.533 120.200 -0.282 0.000 2.122 146 E HA -0.110 4.242 4.350 0.003 0.000 0.190 146 E C 2.014 178.450 176.600 -0.273 0.000 0.977 146 E CA 1.135 57.339 56.400 -0.326 0.000 0.820 146 E CB 0.110 29.425 29.700 -0.641 0.000 0.770 146 E HN 0.445 nan 8.360 nan 0.000 0.462 147 Q N -0.251 119.376 119.800 -0.287 0.000 2.324 147 Q HA 0.200 4.541 4.340 0.003 0.000 0.207 147 Q C 1.951 177.874 176.000 -0.128 0.000 0.928 147 Q CA 0.293 55.999 55.803 -0.161 0.000 0.890 147 Q CB 0.464 29.141 28.738 -0.101 0.000 1.001 147 Q HN 0.166 nan 8.270 nan 0.000 0.517 148 L N 0.906 122.046 121.223 -0.139 0.000 2.607 148 L HA 0.131 4.472 4.340 0.003 0.000 0.228 148 L C -0.325 176.475 176.870 -0.116 0.000 1.123 148 L CA -0.213 54.547 54.840 -0.134 0.000 0.890 148 L CB 0.001 41.963 42.059 -0.161 0.000 1.103 148 L HN 0.215 nan 8.230 nan 0.000 0.468 149 N N 0.981 119.616 118.700 -0.109 0.000 2.727 149 N HA -0.181 4.561 4.740 0.003 0.000 0.249 149 N C -0.315 175.141 175.510 -0.090 0.000 1.048 149 N CA 0.831 53.825 53.050 -0.094 0.000 0.714 149 N CB -1.663 36.776 38.487 -0.079 0.000 0.959 149 N HN 0.361 nan 8.380 nan 0.000 0.544 150 L N 0.223 121.391 121.223 -0.093 0.000 2.399 150 L HA 0.373 4.714 4.340 0.003 0.000 0.265 150 L C 0.874 177.653 176.870 -0.150 0.000 1.089 150 L CA -0.562 54.231 54.840 -0.079 0.000 0.802 150 L CB 0.930 42.969 42.059 -0.033 0.000 1.180 150 L HN -0.002 nan 8.230 nan 0.000 0.454 151 E N 0.904 121.022 120.200 -0.136 0.000 2.179 151 E HA 0.538 4.890 4.350 0.003 0.000 0.275 151 E C -1.696 174.782 176.600 -0.203 0.000 0.945 151 E CA -0.517 55.730 56.400 -0.253 0.000 0.792 151 E CB 1.930 31.554 29.700 -0.126 0.000 1.125 151 E HN 0.411 nan 8.360 nan 0.000 0.397 152 Y N -0.749 119.391 120.300 -0.267 0.000 2.656 152 Y HA 0.609 5.161 4.550 0.003 0.000 0.334 152 Y C -1.410 174.314 175.900 -0.294 0.000 1.179 152 Y CA -1.382 56.551 58.100 -0.279 0.000 1.050 152 Y CB 0.947 39.268 38.460 -0.233 0.000 1.308 152 Y HN 0.332 nan 8.280 nan 0.000 0.456 153 I N 3.707 124.290 120.570 0.022 0.000 2.468 153 I HA 0.432 4.604 4.170 0.003 0.000 0.284 153 I C -1.017 175.128 176.117 0.047 0.000 1.038 153 I CA -0.521 60.788 61.300 0.016 0.000 1.083 153 I CB 1.429 39.407 38.000 -0.036 0.000 1.223 153 I HN 0.504 nan 8.210 nan 0.000 0.443 154 L N 4.942 126.219 121.223 0.089 0.000 2.332 154 L HA 0.531 4.873 4.340 0.003 0.000 0.269 154 L C 0.656 177.559 176.870 0.056 0.000 1.016 154 L CA -0.876 53.971 54.840 0.010 0.000 0.809 154 L CB 1.016 43.041 42.059 -0.057 0.000 1.280 154 L HN 0.658 nan 8.230 nan 0.000 0.447 155 N N 0.015 118.720 118.700 0.008 0.000 2.754 155 N HA -0.199 4.543 4.740 0.003 0.000 0.248 155 N C -1.069 174.467 175.510 0.044 0.000 1.093 155 N CA 0.600 53.673 53.050 0.039 0.000 0.699 155 N CB -0.788 37.763 38.487 0.108 0.000 1.016 155 N HN 0.735 nan 8.380 nan 0.000 0.552 156 C N 0.436 119.743 119.300 0.012 0.000 2.705 156 C HA 0.574 5.036 4.460 0.003 0.000 0.369 156 C C -2.606 172.375 174.990 -0.014 0.000 1.069 156 C CA -1.319 57.712 59.018 0.022 0.000 1.260 156 C CB 0.904 28.685 27.740 0.068 0.000 1.764 156 C HN 0.302 nan 8.230 nan 0.000 0.469 157 P HA 0.345 nan 4.420 nan 0.000 0.269 157 P C -0.628 176.663 177.300 -0.016 0.000 1.209 157 P CA 0.304 63.376 63.100 -0.047 0.000 0.776 157 P CB 0.682 32.355 31.700 -0.046 0.000 0.876 158 A N 2.994 125.801 122.820 -0.023 0.000 2.303 158 A HA 0.456 4.778 4.320 0.003 0.000 0.317 158 A C -0.263 177.327 177.584 0.010 0.000 1.149 158 A CA -0.462 51.576 52.037 0.001 0.000 0.822 158 A CB 0.412 19.404 19.000 -0.013 0.000 1.131 158 A HN 0.435 nan 8.150 nan 0.000 0.493 159 K N 1.819 122.240 120.400 0.034 0.000 2.464 159 K HA 0.424 4.745 4.320 0.003 0.000 0.252 159 K C -1.317 175.307 176.600 0.040 0.000 1.000 159 K CA -0.432 55.875 56.287 0.033 0.000 0.951 159 K CB 1.795 34.320 32.500 0.042 0.000 1.183 159 K HN 0.403 nan 8.250 nan 0.000 0.445 160 V N 5.822 125.751 119.914 0.025 0.000 2.405 160 V HA 0.089 4.211 4.120 0.003 0.000 0.264 160 V C 1.354 177.466 176.094 0.030 0.000 1.048 160 V CA 0.106 62.422 62.300 0.027 0.000 0.966 160 V CB 0.238 32.067 31.823 0.011 0.000 1.015 160 V HN 0.747 nan 8.190 nan 0.000 0.477 161 I N 3.328 123.924 120.570 0.043 0.000 2.296 161 I HA 0.081 4.253 4.170 0.003 0.000 0.242 161 I C 0.699 176.840 176.117 0.042 0.000 1.087 161 I CA 0.893 62.219 61.300 0.042 0.000 1.393 161 I CB 0.174 38.204 38.000 0.050 0.000 1.093 161 I HN 0.799 nan 8.210 nan 0.000 0.421 162 D N -1.812 118.620 120.400 0.053 0.000 2.664 162 D HA 0.032 4.674 4.640 0.003 0.000 0.292 162 D C 0.006 176.337 176.300 0.053 0.000 1.214 162 D CA -0.741 53.294 54.000 0.060 0.000 0.932 162 D CB -0.092 40.757 40.800 0.083 0.000 1.420 162 D HN 0.142 nan 8.370 nan 0.000 0.471 163 N N -1.401 117.330 118.700 0.052 0.000 2.635 163 N HA -0.184 4.558 4.740 0.003 0.000 0.191 163 N C -0.016 175.340 175.510 -0.256 0.000 1.155 163 N CA 0.680 53.694 53.050 -0.061 0.000 0.927 163 N CB -0.258 38.198 38.487 -0.052 0.000 0.976 163 N HN 0.373 nan 8.380 nan 0.000 0.448 164 H N -1.649 117.443 119.070 0.038 0.000 3.367 164 H HA 0.241 4.799 4.556 0.003 0.000 0.257 164 H C -0.827 174.541 175.328 0.067 0.000 1.201 164 H CA -0.179 55.899 56.048 0.051 0.000 1.102 164 H CB 1.214 31.005 29.762 0.047 0.000 1.656 164 H HN 0.099 nan 8.280 nan 0.000 0.662 165 T N 0.986 115.625 114.554 0.142 0.000 2.879 165 T HA 0.584 4.936 4.350 0.003 0.000 0.290 165 T C -0.796 173.970 174.700 0.110 0.000 0.993 165 T CA -0.655 61.523 62.100 0.131 0.000 0.975 165 T CB 2.358 71.291 68.868 0.109 0.000 0.981 165 T HN -0.142 nan 8.240 nan 0.000 0.439 166 V N 2.340 122.344 119.914 0.151 0.000 2.709 166 V HA 0.494 4.615 4.120 0.003 0.000 0.308 166 V C -0.328 175.900 176.094 0.224 0.000 1.062 166 V CA -0.886 61.502 62.300 0.146 0.000 0.901 166 V CB 2.111 33.998 31.823 0.106 0.000 1.003 166 V HN 0.910 nan 8.190 nan 0.000 0.425 167 E N 2.697 122.997 120.200 0.167 0.000 2.156 167 E HA 0.762 5.114 4.350 0.003 0.000 0.279 167 E C -0.704 176.017 176.600 0.201 0.000 0.965 167 E CA -0.421 56.087 56.400 0.181 0.000 0.789 167 E CB 1.630 31.390 29.700 0.100 0.000 1.098 167 E HN 0.930 nan 8.360 nan 0.000 0.397 168 A N 2.878 125.882 122.820 0.308 0.000 2.517 168 A HA 0.624 4.946 4.320 0.003 0.000 0.297 168 A C -0.102 177.671 177.584 0.316 0.000 1.050 168 A CA 0.033 52.229 52.037 0.264 0.000 0.694 168 A CB 1.370 20.487 19.000 0.194 0.000 1.277 168 A HN 1.140 nan 8.150 nan 0.000 0.400 169 A N 0.651 123.593 122.820 0.204 0.000 2.822 169 A HA 0.274 4.596 4.320 0.003 0.000 0.287 169 A C 2.099 179.747 177.584 0.106 0.000 1.479 169 A CA 2.186 54.325 52.037 0.169 0.000 0.779 169 A CB -1.743 17.408 19.000 0.252 0.000 1.022 169 A HN 3.196 nan 8.150 nan 0.000 0.532 170 G N -2.142 106.712 108.800 0.091 0.000 2.234 170 G HA2 -0.322 3.639 3.960 0.003 0.000 0.260 170 G HA3 -0.322 3.639 3.960 0.003 0.000 0.260 170 G C 0.323 175.239 174.900 0.027 0.000 0.987 170 G CA 1.351 46.477 45.100 0.044 0.000 0.625 170 G HN 1.086 nan 8.290 nan 0.000 0.532 171 K N -0.505 119.932 120.400 0.061 0.000 2.177 171 K HA 0.721 5.042 4.320 0.003 0.000 0.238 171 K C -0.370 176.178 176.600 -0.085 0.000 1.015 171 K CA -0.677 55.570 56.287 -0.066 0.000 0.922 171 K CB 2.187 34.581 32.500 -0.177 0.000 1.127 171 K HN 0.042 nan 8.250 nan 0.000 0.469 172 V N 2.149 121.893 119.914 -0.284 0.000 2.540 172 V HA 0.423 4.545 4.120 0.003 0.000 0.302 172 V C -1.193 174.679 176.094 -0.370 0.000 1.035 172 V CA -0.732 61.474 62.300 -0.157 0.000 0.873 172 V CB 0.928 32.707 31.823 -0.073 0.000 0.992 172 V HN 0.507 nan 8.190 nan 0.000 0.428 173 F N 3.428 123.440 119.950 0.103 0.000 2.532 173 F HA 0.671 5.200 4.527 0.003 0.000 0.321 173 F C 0.346 176.225 175.800 0.132 0.000 1.089 173 F CA -0.822 57.264 58.000 0.143 0.000 0.926 173 F CB 1.902 41.000 39.000 0.163 0.000 1.168 173 F HN 0.186 nan 8.300 nan 0.000 0.459 174 K N 1.578 122.175 120.400 0.328 0.000 2.221 174 K HA 0.941 5.263 4.320 0.003 0.000 0.243 174 K C -1.026 175.746 176.600 0.288 0.000 0.968 174 K CA -0.909 55.524 56.287 0.244 0.000 0.846 174 K CB 2.211 34.808 32.500 0.161 0.000 1.141 174 K HN 0.770 nan 8.250 nan 0.000 0.434 175 A N 1.108 124.071 122.820 0.239 0.000 2.605 175 A HA 0.306 4.628 4.320 0.003 0.000 0.294 175 A C 0.025 177.738 177.584 0.214 0.000 1.062 175 A CA -0.629 51.536 52.037 0.214 0.000 0.682 175 A CB 1.009 20.102 19.000 0.156 0.000 1.278 175 A HN 0.619 nan 8.150 nan 0.000 0.410 176 K N 0.439 120.949 120.400 0.183 0.000 2.148 176 K HA -0.001 4.321 4.320 0.003 0.000 0.204 176 K C 0.245 176.885 176.600 0.068 0.000 1.050 176 K CA 1.197 57.611 56.287 0.212 0.000 0.942 176 K CB -0.012 32.572 32.500 0.139 0.000 0.724 176 K HN 0.644 nan 8.250 nan 0.000 0.446 177 N N -0.027 118.663 118.700 -0.017 0.000 2.494 177 N HA 0.348 5.090 4.740 0.003 0.000 0.270 177 N C -1.348 174.086 175.510 -0.126 0.000 1.285 177 N CA -0.607 52.398 53.050 -0.075 0.000 0.812 177 N CB 2.171 40.670 38.487 0.019 0.000 1.557 177 N HN -0.137 nan 8.380 nan 0.000 0.487 178 L N 1.541 122.702 121.223 -0.104 0.000 2.365 178 L HA 0.608 4.949 4.340 0.003 0.000 0.273 178 L C -0.602 176.204 176.870 -0.108 0.000 1.000 178 L CA -0.691 54.068 54.840 -0.134 0.000 0.819 178 L CB 2.046 44.046 42.059 -0.098 0.000 1.284 178 L HN 0.388 nan 8.230 nan 0.000 0.418 179 I N 4.497 124.910 120.570 -0.261 0.000 2.420 179 I HA 0.290 4.462 4.170 0.003 0.000 0.282 179 I C -0.421 175.651 176.117 -0.075 0.000 1.019 179 I CA -0.452 60.723 61.300 -0.208 0.000 1.130 179 I CB 1.511 39.167 38.000 -0.574 0.000 1.262 179 I HN 0.369 nan 8.210 nan 0.000 0.454 180 L N 6.353 127.581 121.223 0.009 0.000 2.369 180 L HA 0.450 4.792 4.340 0.003 0.000 0.279 180 L C 0.742 177.651 176.870 0.064 0.000 1.108 180 L CA -0.048 54.809 54.840 0.028 0.000 0.852 180 L CB 0.727 42.799 42.059 0.021 0.000 1.169 180 L HN 0.721 nan 8.230 nan 0.000 0.452 181 A N 3.203 126.069 122.820 0.078 0.000 2.992 181 A HA 0.358 4.680 4.320 0.003 0.000 0.263 181 A C 0.713 178.335 177.584 0.063 0.000 0.928 181 A CA -0.283 51.810 52.037 0.094 0.000 1.061 181 A CB 0.267 19.362 19.000 0.158 0.000 1.173 181 A HN 0.593 nan 8.150 nan 0.000 0.482 182 V N -2.860 117.075 119.914 0.035 0.000 3.623 182 V HA 0.495 4.617 4.120 0.003 0.000 0.271 182 V C 1.223 177.328 176.094 0.018 0.000 1.248 182 V CA 0.544 62.850 62.300 0.010 0.000 1.156 182 V CB -1.503 30.311 31.823 -0.016 0.000 0.870 182 V HN 1.751 nan 8.190 nan 0.000 0.453 183 G N 0.340 109.163 108.800 0.039 0.000 2.552 183 G HA2 0.192 4.154 3.960 0.003 0.000 0.265 183 G HA3 0.192 4.154 3.960 0.003 0.000 0.265 183 G C 0.024 174.949 174.900 0.041 0.000 1.234 183 G CA 0.164 45.295 45.100 0.051 0.000 0.944 183 G HN 1.976 nan 8.290 nan 0.000 0.568 184 A N -1.380 121.476 122.820 0.060 0.000 2.566 184 A HA 1.016 5.337 4.320 0.003 0.000 0.292 184 A C 0.241 177.875 177.584 0.084 0.000 1.112 184 A CA 0.662 52.733 52.037 0.055 0.000 0.707 184 A CB 1.484 20.513 19.000 0.049 0.000 1.302 184 A HN 2.470 nan 8.150 nan 0.000 0.409 185 G N -0.267 108.573 108.800 0.067 0.000 2.473 185 G HA2 0.661 4.622 3.960 0.003 0.000 0.321 185 G HA3 0.661 4.622 3.960 0.003 0.000 0.321 185 G C -3.173 171.780 174.900 0.088 0.000 1.200 185 G CA -1.839 43.309 45.100 0.079 0.000 0.963 185 G HN 0.431 nan 8.290 nan 0.000 0.483 186 P HA 0.172 nan 4.420 nan 0.000 0.264 186 P C 0.745 178.056 177.300 0.017 0.000 1.193 186 P CA 0.202 63.350 63.100 0.079 0.000 0.763 186 P CB 0.884 32.596 31.700 0.020 0.000 0.810 187 G N 2.042 110.847 108.800 0.009 0.000 2.636 187 G HA2 0.415 4.377 3.960 0.003 0.000 0.246 187 G HA3 0.415 4.377 3.960 0.003 0.000 0.246 187 G C -0.225 174.651 174.900 -0.039 0.000 1.216 187 G CA 0.136 45.228 45.100 -0.012 0.000 0.854 187 G HN 0.506 nan 8.290 nan 0.000 0.572 188 T N -1.204 113.326 114.554 -0.039 0.000 2.618 188 T HA 0.646 4.998 4.350 0.003 0.000 0.286 188 T C -0.998 173.675 174.700 -0.045 0.000 1.027 188 T CA -0.672 61.395 62.100 -0.055 0.000 1.063 188 T CB 0.793 69.629 68.868 -0.055 0.000 1.440 188 T HN 0.349 nan 8.240 nan 0.000 0.505 189 L N 1.704 122.898 121.223 -0.048 0.000 2.354 189 L HA 0.527 4.869 4.340 0.003 0.000 0.264 189 L C -0.535 176.314 176.870 -0.034 0.000 1.008 189 L CA -0.968 53.849 54.840 -0.038 0.000 0.819 189 L CB 2.015 44.050 42.059 -0.040 0.000 1.339 189 L HN 0.776 nan 8.230 nan 0.000 0.420 190 D N 1.429 121.813 120.400 -0.027 0.000 3.058 190 D HA 0.204 4.845 4.640 0.003 0.000 0.272 190 D C -0.326 175.960 176.300 -0.023 0.000 1.350 190 D CA -0.183 53.802 54.000 -0.024 0.000 0.863 190 D CB 0.219 41.007 40.800 -0.019 0.000 1.064 190 D HN 0.175 nan 8.370 nan 0.000 0.488 191 V N -3.526 116.372 119.914 -0.026 0.000 2.881 191 V HA 0.720 4.841 4.120 0.003 0.000 0.316 191 V C -2.764 173.315 176.094 -0.026 0.000 1.070 191 V CA -2.525 59.761 62.300 -0.024 0.000 0.976 191 V CB 1.372 33.181 31.823 -0.023 0.000 1.038 191 V HN -0.174 nan 8.190 nan 0.000 0.446 192 P HA 0.359 nan 4.420 nan 0.000 0.265 192 P C 0.948 178.231 177.300 -0.028 0.000 1.193 192 P CA 1.620 64.706 63.100 -0.024 0.000 0.765 192 P CB 0.793 32.481 31.700 -0.019 0.000 0.823 193 G N 1.612 110.392 108.800 -0.033 0.000 2.195 193 G HA2 -0.313 3.649 3.960 0.003 0.000 0.246 193 G HA3 -0.313 3.649 3.960 0.003 0.000 0.246 193 G C 0.964 175.832 174.900 -0.053 0.000 0.984 193 G CA 0.142 45.218 45.100 -0.040 0.000 0.633 193 G HN 0.538 nan 8.290 nan 0.000 0.525 194 V N 0.676 120.558 119.914 -0.054 0.000 2.867 194 V HA -0.032 4.089 4.120 0.003 0.000 0.260 194 V C 1.777 177.820 176.094 -0.086 0.000 1.099 194 V CA 2.814 65.072 62.300 -0.070 0.000 1.122 194 V CB -0.425 31.361 31.823 -0.062 0.000 0.708 194 V HN 0.608 nan 8.190 nan 0.000 0.490 195 N N 0.177 118.833 118.700 -0.073 0.000 2.235 195 N HA 0.379 5.121 4.740 0.003 0.000 0.209 195 N C 0.305 175.764 175.510 -0.085 0.000 1.122 195 N CA 0.321 53.324 53.050 -0.078 0.000 0.845 195 N CB 0.373 38.826 38.487 -0.056 0.000 1.004 195 N HN 0.517 nan 8.380 nan 0.000 0.499 196 A N 1.073 123.841 122.820 -0.088 0.000 2.366 196 A HA 0.201 4.523 4.320 0.003 0.000 0.249 196 A C 0.281 177.794 177.584 -0.119 0.000 1.084 196 A CA -0.202 51.785 52.037 -0.084 0.000 0.794 196 A CB 0.447 19.407 19.000 -0.067 0.000 1.034 196 A HN 0.162 nan 8.150 nan 0.000 0.491 197 K N -0.034 120.305 120.400 -0.101 0.000 2.350 197 K HA 0.404 4.726 4.320 0.003 0.000 0.279 197 K C 0.993 177.533 176.600 -0.100 0.000 1.027 197 K CA 1.021 57.239 56.287 -0.115 0.000 0.969 197 K CB 0.525 32.981 32.500 -0.073 0.000 0.954 197 K HN 1.322 nan 8.250 nan 0.000 0.474 198 G N 0.893 109.623 108.800 -0.117 0.000 2.201 198 G HA2 -0.207 3.755 3.960 0.003 0.000 0.212 198 G HA3 -0.207 3.755 3.960 0.003 0.000 0.212 198 G C -0.217 174.633 174.900 -0.083 0.000 0.994 198 G CA -0.429 44.766 45.100 0.158 0.000 0.644 198 G HN 0.411 nan 8.290 nan 0.000 0.508 199 V N 1.732 121.400 119.914 -0.409 0.000 2.370 199 V HA 0.784 4.906 4.120 0.003 0.000 0.279 199 V C -0.118 175.608 176.094 -0.614 0.000 1.029 199 V CA -0.354 61.728 62.300 -0.362 0.000 0.870 199 V CB 0.790 32.469 31.823 -0.240 0.000 0.984 199 V HN 0.229 nan 8.190 nan 0.000 0.451 200 F N 2.685 122.517 119.950 -0.196 0.000 2.631 200 F HA 0.739 5.268 4.527 0.003 0.000 0.328 200 F C -0.033 175.557 175.800 -0.351 0.000 1.067 200 F CA -0.862 57.058 58.000 -0.134 0.000 0.969 200 F CB 2.058 41.084 39.000 0.044 0.000 1.332 200 F HN 0.634 nan 8.300 nan 0.000 0.490 201 D N -2.526 117.817 120.400 -0.094 0.000 2.636 201 D HA 0.160 4.801 4.640 0.003 0.000 0.275 201 D C 0.741 176.992 176.300 -0.082 0.000 1.130 201 D CA -0.551 53.168 54.000 -0.468 0.000 1.031 201 D CB 0.166 40.791 40.800 -0.291 0.000 1.451 201 D HN 0.624 nan 8.370 nan 0.000 0.505 202 H N -0.606 118.422 119.070 -0.070 0.000 2.422 202 H HA -0.116 4.441 4.556 0.003 0.000 0.298 202 H C 1.301 176.796 175.328 0.278 0.000 1.098 202 H CA 1.851 58.021 56.048 0.204 0.000 1.315 202 H CB -0.356 29.445 29.762 0.066 0.000 1.382 202 H HN 0.430 nan 8.280 nan 0.000 0.523 203 A N 1.323 123.801 122.820 -0.570 0.000 1.874 203 A HA -0.115 4.206 4.320 0.003 0.000 0.214 203 A C 2.727 180.376 177.584 0.108 0.000 1.189 203 A CA 2.105 54.004 52.037 -0.230 0.000 0.615 203 A CB -1.021 17.809 19.000 -0.282 0.000 0.830 203 A HN 0.682 nan 8.150 nan 0.000 0.443 204 T N -1.914 112.724 114.554 0.140 0.000 3.023 204 T HA -0.043 4.309 4.350 0.003 0.000 0.266 204 T C 1.729 176.713 174.700 0.473 0.000 1.093 204 T CA 1.173 63.443 62.100 0.285 0.000 1.129 204 T CB -0.409 68.596 68.868 0.228 0.000 0.899 204 T HN 0.185 nan 8.240 nan 0.000 0.491 205 L N 2.659 124.170 121.223 0.479 0.000 2.042 205 L HA 0.008 4.349 4.340 0.003 0.000 0.210 205 L C 2.363 179.405 176.870 0.287 0.000 1.076 205 L CA 1.801 56.861 54.840 0.367 0.000 0.749 205 L CB -0.559 41.804 42.059 0.506 0.000 0.893 205 L HN 0.381 nan 8.230 nan 0.000 0.432 206 V N -4.254 115.864 119.914 0.340 0.000 3.633 206 V HA 0.189 4.310 4.120 0.003 0.000 0.283 206 V C 1.470 177.716 176.094 0.252 0.000 1.305 206 V CA 0.645 63.144 62.300 0.332 0.000 1.153 206 V CB -0.446 31.634 31.823 0.427 0.000 0.950 206 V HN 0.426 nan 8.190 nan 0.000 0.432 207 E N 0.891 121.250 120.200 0.264 0.000 2.414 207 E HA 0.180 4.531 4.350 0.003 0.000 0.208 207 E C 1.107 177.859 176.600 0.253 0.000 0.820 207 E CA 0.535 57.081 56.400 0.244 0.000 1.143 207 E CB 0.538 30.395 29.700 0.261 0.000 1.150 207 E HN 0.786 nan 8.360 nan 0.000 0.540 208 E N 0.803 121.204 120.200 0.336 0.000 2.693 208 E HA 0.127 4.479 4.350 0.003 0.000 0.214 208 E C -0.226 176.666 176.600 0.486 0.000 0.990 208 E CA -0.211 56.420 56.400 0.385 0.000 1.047 208 E CB 0.679 30.608 29.700 0.382 0.000 1.039 208 E HN -0.120 nan 8.360 nan 0.000 0.475 209 L N 3.262 124.656 121.223 0.284 0.000 2.401 209 L HA 0.090 4.432 4.340 0.003 0.000 0.283 209 L C 0.279 177.215 176.870 0.111 0.000 1.151 209 L CA 0.199 55.084 54.840 0.074 0.000 0.942 209 L CB 0.114 42.028 42.059 -0.241 0.000 1.283 209 L HN -0.009 nan 8.230 nan 0.000 0.442 210 D N 2.934 123.498 120.400 0.274 0.000 2.368 210 D HA 0.063 4.704 4.640 0.003 0.000 0.218 210 D C -0.254 176.219 176.300 0.288 0.000 1.112 210 D CA -0.038 54.108 54.000 0.244 0.000 0.834 210 D CB -0.351 40.601 40.800 0.254 0.000 0.953 210 D HN 0.471 nan 8.370 nan 0.000 0.505 211 Y N -2.361 117.987 120.300 0.081 0.000 2.655 211 Y HA 0.680 5.231 4.550 0.003 0.000 0.336 211 Y C -1.121 174.768 175.900 -0.019 0.000 1.154 211 Y CA -1.737 56.390 58.100 0.044 0.000 1.055 211 Y CB 0.868 39.373 38.460 0.074 0.000 1.295 211 Y HN -0.262 nan 8.280 nan 0.000 0.465 212 E N 3.084 123.268 120.200 -0.027 0.000 2.115 212 E HA 0.488 4.839 4.350 0.003 0.000 0.282 212 E C -2.684 173.831 176.600 -0.142 0.000 0.987 212 E CA -2.534 53.754 56.400 -0.187 0.000 0.797 212 E CB 0.905 30.555 29.700 -0.082 0.000 1.086 212 E HN 0.440 nan 8.360 nan 0.000 0.397 213 P HA 0.062 nan 4.420 nan 0.000 0.267 213 P C 0.054 177.301 177.300 -0.088 0.000 1.201 213 P CA 0.185 63.128 63.100 -0.261 0.000 0.775 213 P CB 0.726 31.923 31.700 -0.838 0.000 0.854 214 G N 0.320 109.144 108.800 0.040 0.000 2.525 214 G HA2 0.155 4.116 3.960 0.003 0.000 0.276 214 G HA3 0.155 4.116 3.960 0.003 0.000 0.276 214 G C 1.192 176.077 174.900 -0.024 0.000 1.388 214 G CA 0.216 45.331 45.100 0.025 0.000 1.050 214 G HN 0.508 nan 8.290 nan 0.000 0.520 215 S N -2.052 113.642 115.700 -0.009 0.000 2.481 215 S HA 0.064 4.535 4.470 0.003 0.000 0.231 215 S C 0.883 175.477 174.600 -0.010 0.000 0.996 215 S CA 1.079 59.266 58.200 -0.021 0.000 0.942 215 S CB -0.062 63.131 63.200 -0.012 0.000 0.768 215 S HN 0.407 nan 8.310 nan 0.000 0.520 216 T N 1.846 116.410 114.554 0.017 0.000 2.824 216 T HA 0.658 5.010 4.350 0.003 0.000 0.282 216 T C -1.013 173.731 174.700 0.074 0.000 0.993 216 T CA -0.538 61.585 62.100 0.038 0.000 0.967 216 T CB 1.895 70.788 68.868 0.042 0.000 0.960 216 T HN 0.051 nan 8.240 nan 0.000 0.441 217 V N 3.480 123.447 119.914 0.088 0.000 2.555 217 V HA 0.563 4.685 4.120 0.003 0.000 0.302 217 V C -0.383 175.799 176.094 0.147 0.000 1.038 217 V CA -0.742 61.652 62.300 0.157 0.000 0.887 217 V CB 2.136 34.035 31.823 0.127 0.000 0.991 217 V HN 0.679 nan 8.190 nan 0.000 0.434 218 V N 5.180 125.177 119.914 0.139 0.000 2.417 218 V HA 0.510 4.632 4.120 0.003 0.000 0.291 218 V C -0.284 175.902 176.094 0.153 0.000 1.024 218 V CA -0.478 61.893 62.300 0.117 0.000 0.861 218 V CB 1.960 33.826 31.823 0.072 0.000 0.985 218 V HN 0.609 nan 8.190 nan 0.000 0.436 219 V N 5.729 125.759 119.914 0.195 0.000 2.513 219 V HA 0.531 4.653 4.120 0.003 0.000 0.299 219 V C -0.303 175.890 176.094 0.165 0.000 1.035 219 V CA -0.593 61.868 62.300 0.268 0.000 0.889 219 V CB 2.155 34.181 31.823 0.338 0.000 0.988 219 V HN 0.602 nan 8.190 nan 0.000 0.440 220 V N 3.467 123.460 119.914 0.133 0.000 2.417 220 V HA 0.995 5.117 4.120 0.003 0.000 0.291 220 V C 0.447 176.582 176.094 0.068 0.000 1.024 220 V CA 0.279 62.619 62.300 0.067 0.000 0.861 220 V CB 0.808 32.640 31.823 0.015 0.000 0.985 220 V HN 1.328 nan 8.190 nan 0.000 0.436 221 G N 3.195 112.031 108.800 0.060 0.000 2.406 221 G HA2 0.423 4.385 3.960 0.003 0.000 0.680 221 G HA3 0.423 4.385 3.960 0.003 0.000 0.680 221 G C -0.012 174.925 174.900 0.062 0.000 1.338 221 G CA -0.187 44.946 45.100 0.054 0.000 0.941 221 G HN 1.253 nan 8.290 nan 0.000 0.633 222 G N -0.766 108.062 108.800 0.046 0.000 4.165 222 G HA2 0.596 4.557 3.960 0.003 0.000 0.287 222 G HA3 0.596 4.557 3.960 0.003 0.000 0.287 222 G C 0.412 175.331 174.900 0.032 0.000 1.019 222 G CA 1.614 46.737 45.100 0.039 0.000 0.806 222 G HN 1.193 nan 8.290 nan 0.000 0.447 223 S N -0.582 115.141 115.700 0.039 0.000 2.702 223 S HA 0.408 4.879 4.470 0.003 0.000 0.272 223 S C 1.696 176.318 174.600 0.037 0.000 1.068 223 S CA -0.374 57.847 58.200 0.034 0.000 0.964 223 S CB 0.882 64.104 63.200 0.037 0.000 1.307 223 S HN 0.112 nan 8.310 nan 0.000 0.567 224 K N 0.213 120.633 120.400 0.033 0.000 1.987 224 K HA -0.120 4.202 4.320 0.003 0.000 0.216 224 K C 2.121 178.726 176.600 0.009 0.000 1.051 224 K CA 2.231 58.523 56.287 0.008 0.000 0.942 224 K CB -1.050 31.453 32.500 0.004 0.000 0.722 224 K HN 0.531 nan 8.250 nan 0.000 0.444 225 T N 1.260 115.836 114.554 0.037 0.000 2.684 225 T HA -0.180 4.171 4.350 0.003 0.000 0.267 225 T C 2.056 176.886 174.700 0.215 0.000 1.036 225 T CA 1.540 63.705 62.100 0.108 0.000 1.148 225 T CB -0.377 68.526 68.868 0.058 0.000 0.863 225 T HN 0.396 nan 8.240 nan 0.000 0.436 226 A N 0.905 123.833 122.820 0.180 0.000 1.883 226 A HA -0.080 4.242 4.320 0.003 0.000 0.217 226 A C 2.609 180.278 177.584 0.142 0.000 1.186 226 A CA 1.651 53.818 52.037 0.217 0.000 0.624 226 A CB -1.034 18.058 19.000 0.154 0.000 0.822 226 A HN 0.368 nan 8.150 nan 0.000 0.444 227 V N -0.178 119.781 119.914 0.075 0.000 2.379 227 V HA -0.225 3.896 4.120 0.003 0.000 0.245 227 V C 2.379 178.454 176.094 -0.032 0.000 1.044 227 V CA 2.170 64.482 62.300 0.020 0.000 1.036 227 V CB -0.877 30.950 31.823 0.007 0.000 0.664 227 V HN 0.635 nan 8.190 nan 0.000 0.453 228 E N -0.744 119.444 120.200 -0.020 0.000 2.051 228 E HA -0.228 4.124 4.350 0.003 0.000 0.192 228 E C 2.129 178.608 176.600 -0.202 0.000 0.991 228 E CA 1.906 58.252 56.400 -0.091 0.000 0.799 228 E CB -0.262 29.342 29.700 -0.160 0.000 0.748 228 E HN 0.714 nan 8.360 nan 0.000 0.449 229 Y N 0.015 120.115 120.300 -0.334 0.000 2.263 229 Y HA -0.066 4.486 4.550 0.003 0.000 0.292 229 Y C 2.546 177.872 175.900 -0.956 0.000 1.130 229 Y CA 0.801 58.461 58.100 -0.733 0.000 1.179 229 Y CB -0.348 37.489 38.460 -1.038 0.000 0.998 229 Y HN 0.109 nan 8.280 nan 0.000 0.532 230 G N -0.998 107.641 108.800 -0.269 0.000 2.418 230 G HA2 -0.258 3.704 3.960 0.003 0.000 0.217 230 G HA3 -0.258 3.704 3.960 0.003 0.000 0.217 230 G C 1.598 176.417 174.900 -0.135 0.000 1.158 230 G CA 1.292 46.350 45.100 -0.070 0.000 0.771 230 G HN 0.443 nan 8.290 nan 0.000 0.545 231 C N -0.142 119.018 119.300 -0.232 0.000 2.435 231 C HA 0.074 4.536 4.460 0.003 0.000 0.279 231 C C 2.394 177.199 174.990 -0.310 0.000 1.321 231 C CA 0.518 59.289 59.018 -0.413 0.000 1.752 231 C CB -1.129 26.157 27.740 -0.757 0.000 1.959 231 C HN 0.490 nan 8.230 nan 0.000 0.500 232 F N 1.363 121.044 119.950 -0.448 0.000 2.146 232 F HA -0.048 4.481 4.527 0.003 0.000 0.298 232 F C 1.839 177.505 175.800 -0.224 0.000 1.096 232 F CA 1.477 59.245 58.000 -0.387 0.000 1.275 232 F CB -0.770 37.882 39.000 -0.580 0.000 1.008 232 F HN 0.147 nan 8.300 nan 0.000 0.480 233 F N 1.034 120.681 119.950 -0.505 0.000 2.134 233 F HA -0.157 4.371 4.527 0.003 0.000 0.299 233 F C 2.469 178.062 175.800 -0.344 0.000 1.097 233 F CA 1.461 59.136 58.000 -0.541 0.000 1.264 233 F CB -1.916 36.959 39.000 -0.208 0.000 1.001 233 F HN 0.189 nan 8.300 nan 0.000 0.479 234 N N 0.583 119.289 118.700 0.010 0.000 2.120 234 N HA -0.164 4.577 4.740 0.003 0.000 0.188 234 N C 1.836 177.354 175.510 0.014 0.000 1.024 234 N CA 1.522 54.599 53.050 0.046 0.000 0.852 234 N CB -0.325 38.244 38.487 0.136 0.000 1.003 234 N HN 0.129 nan 8.380 nan 0.000 0.424 235 A N -0.414 122.422 122.820 0.028 0.000 2.024 235 A HA -0.143 4.178 4.320 0.003 0.000 0.220 235 A C 2.213 179.747 177.584 -0.083 0.000 1.164 235 A CA 2.050 54.105 52.037 0.030 0.000 0.643 235 A CB -1.477 17.588 19.000 0.109 0.000 0.806 235 A HN 0.653 nan 8.150 nan 0.000 0.451 236 T N -4.282 110.139 114.554 -0.221 0.000 3.113 236 T HA 0.352 4.704 4.350 0.003 0.000 0.263 236 T C 1.302 175.923 174.700 -0.132 0.000 1.143 236 T CA 1.206 63.177 62.100 -0.215 0.000 1.090 236 T CB -0.121 68.529 68.868 -0.363 0.000 0.922 236 T HN 1.714 nan 8.240 nan 0.000 0.521 237 G N 0.960 109.701 108.800 -0.099 0.000 2.138 237 G HA2 -0.162 3.799 3.960 0.003 0.000 0.193 237 G HA3 -0.162 3.799 3.960 0.003 0.000 0.193 237 G C -0.047 174.814 174.900 -0.065 0.000 0.998 237 G CA -0.500 44.558 45.100 -0.070 0.000 0.668 237 G HN 0.665 nan 8.290 nan 0.000 0.516 238 R N -0.045 120.413 120.500 -0.070 0.000 2.474 238 R HA 0.556 4.898 4.340 0.003 0.000 0.295 238 R C 0.622 176.916 176.300 -0.011 0.000 0.980 238 R CA -0.931 55.138 56.100 -0.052 0.000 0.934 238 R CB 1.248 31.495 30.300 -0.088 0.000 1.101 238 R HN 0.226 nan 8.270 nan 0.000 0.469 239 R N 1.593 122.093 120.500 -0.001 0.000 2.421 239 R HA 0.035 4.376 4.340 0.003 0.000 0.305 239 R C -0.989 175.338 176.300 0.044 0.000 1.039 239 R CA 0.591 56.702 56.100 0.018 0.000 1.003 239 R CB 0.425 30.734 30.300 0.015 0.000 0.959 239 R HN 0.487 nan 8.270 nan 0.000 0.427 240 T N 4.577 119.169 114.554 0.063 0.000 2.791 240 T HA 0.290 4.642 4.350 0.003 0.000 0.288 240 T C -0.756 174.000 174.700 0.093 0.000 0.999 240 T CA -0.558 61.605 62.100 0.104 0.000 0.952 240 T CB 1.539 70.488 68.868 0.136 0.000 0.938 240 T HN 0.302 nan 8.240 nan 0.000 0.444 241 V N 5.359 125.331 119.914 0.098 0.000 2.357 241 V HA 0.441 4.562 4.120 0.003 0.000 0.284 241 V C -0.031 176.120 176.094 0.094 0.000 1.018 241 V CA -0.730 61.617 62.300 0.079 0.000 0.841 241 V CB 1.312 33.171 31.823 0.060 0.000 0.991 241 V HN 0.870 nan 8.190 nan 0.000 0.437 242 M N 6.022 125.672 119.600 0.084 0.000 2.157 242 M HA 0.521 5.003 4.480 0.003 0.000 0.354 242 M C -0.889 175.449 176.300 0.062 0.000 1.170 242 M CA -0.304 55.049 55.300 0.088 0.000 1.060 242 M CB 1.411 34.061 32.600 0.083 0.000 1.615 242 M HN 0.405 nan 8.290 nan 0.000 0.460 243 L N 4.650 125.909 121.223 0.061 0.000 2.283 243 L HA 0.461 4.802 4.340 0.003 0.000 0.281 243 L C -0.783 176.108 176.870 0.036 0.000 1.033 243 L CA -0.806 54.058 54.840 0.041 0.000 0.848 243 L CB 0.858 42.938 42.059 0.035 0.000 1.226 243 L HN 0.415 nan 8.230 nan 0.000 0.429 244 V N 3.950 123.880 119.914 0.028 0.000 2.370 244 V HA 0.263 4.385 4.120 0.003 0.000 0.279 244 V C 1.236 177.338 176.094 0.013 0.000 1.029 244 V CA -0.533 61.780 62.300 0.022 0.000 0.870 244 V CB 1.570 33.404 31.823 0.019 0.000 0.984 244 V HN 0.765 nan 8.190 nan 0.000 0.451 245 R N 2.736 123.243 120.500 0.011 0.000 2.080 245 R HA -0.156 4.186 4.340 0.003 0.000 0.236 245 R C 1.706 178.008 176.300 0.003 0.000 1.137 245 R CA 2.508 58.612 56.100 0.006 0.000 0.943 245 R CB 0.064 30.367 30.300 0.005 0.000 0.846 245 R HN 0.942 nan 8.270 nan 0.000 0.431 246 T N -2.491 112.065 114.554 0.002 0.000 3.166 246 T HA 0.246 4.598 4.350 0.003 0.000 0.182 246 T C 0.106 174.804 174.700 -0.003 0.000 0.810 246 T CA -0.583 61.517 62.100 -0.001 0.000 1.441 246 T CB 0.346 69.212 68.868 -0.002 0.000 2.201 246 T HN -0.018 nan 8.240 nan 0.000 0.414 247 E N 1.943 122.139 120.200 -0.005 0.000 2.340 247 E HA 0.499 4.850 4.350 0.003 0.000 0.273 247 E C -2.856 173.739 176.600 -0.009 0.000 0.891 247 E CA -2.354 54.040 56.400 -0.010 0.000 0.757 247 E CB 2.299 31.988 29.700 -0.017 0.000 1.231 247 E HN 0.361 nan 8.360 nan 0.000 0.439 248 P HA 0.230 nan 4.420 nan 0.000 0.277 248 P C 0.287 177.573 177.300 -0.024 0.000 1.240 248 P CA -0.307 62.788 63.100 -0.008 0.000 0.798 248 P CB 0.848 32.546 31.700 -0.003 0.000 0.979 249 L N -0.247 120.963 121.223 -0.021 0.000 3.739 249 L HA -0.252 4.090 4.340 0.003 0.000 0.442 249 L C 1.373 178.199 176.870 -0.074 0.000 1.241 249 L CA 0.459 55.273 54.840 -0.044 0.000 0.819 249 L CB -1.547 40.480 42.059 -0.054 0.000 1.679 249 L HN 0.528 nan 8.230 nan 0.000 0.889 250 K N -0.065 120.303 120.400 -0.052 0.000 2.362 250 K HA -0.059 4.263 4.320 0.003 0.000 0.200 250 K C 1.876 178.423 176.600 -0.089 0.000 1.046 250 K CA 0.833 57.083 56.287 -0.061 0.000 0.952 250 K CB 0.032 32.513 32.500 -0.032 0.000 0.753 250 K HN 0.504 nan 8.250 nan 0.000 0.466 251 L N 1.016 122.183 121.223 -0.093 0.000 2.131 251 L HA -0.096 4.246 4.340 0.003 0.000 0.210 251 L C 0.952 177.579 176.870 -0.404 0.000 1.092 251 L CA 0.738 55.501 54.840 -0.129 0.000 0.759 251 L CB -0.192 41.862 42.059 -0.009 0.000 0.903 251 L HN 0.155 nan 8.230 nan 0.000 0.435 252 I N 0.571 120.869 120.570 -0.454 0.000 2.311 252 I HA -0.030 4.142 4.170 0.003 0.000 0.297 252 I C 1.140 177.074 176.117 -0.306 0.000 1.131 252 I CA 0.078 61.038 61.300 -0.567 0.000 1.289 252 I CB 0.500 38.266 38.000 -0.390 0.000 1.446 252 I HN 0.122 nan 8.210 nan 0.000 0.524 253 K N 2.731 122.980 120.400 -0.253 0.000 2.097 253 K HA -0.116 4.206 4.320 0.003 0.000 0.205 253 K C 0.499 177.002 176.600 -0.162 0.000 1.050 253 K CA 0.830 57.032 56.287 -0.143 0.000 0.938 253 K CB -0.103 32.360 32.500 -0.062 0.000 0.718 253 K HN 0.510 nan 8.250 nan 0.000 0.442 254 D N 0.992 121.235 120.400 -0.261 0.000 2.358 254 D HA 0.008 4.650 4.640 0.003 0.000 0.258 254 D C 0.447 176.629 176.300 -0.196 0.000 1.223 254 D CA 0.195 54.009 54.000 -0.311 0.000 0.886 254 D CB 0.491 40.905 40.800 -0.643 0.000 1.120 254 D HN 0.068 nan 8.370 nan 0.000 0.482 255 N N 2.752 121.369 118.700 -0.139 0.000 2.069 255 N HA -0.191 4.551 4.740 0.003 0.000 0.191 255 N C 1.077 176.504 175.510 -0.138 0.000 1.031 255 N CA 0.900 53.880 53.050 -0.116 0.000 0.852 255 N CB 0.082 38.519 38.487 -0.083 0.000 1.018 255 N HN 0.586 nan 8.380 nan 0.000 0.423 256 E N 0.058 120.175 120.200 -0.138 0.000 2.110 256 E HA -0.125 4.227 4.350 0.003 0.000 0.193 256 E C 1.841 178.169 176.600 -0.454 0.000 0.988 256 E CA 1.158 57.408 56.400 -0.250 0.000 0.804 256 E CB -0.010 29.606 29.700 -0.141 0.000 0.745 256 E HN 0.366 nan 8.360 nan 0.000 0.458 257 T N 0.673 115.077 114.554 -0.250 0.000 2.737 257 T HA -0.162 4.189 4.350 0.003 0.000 0.265 257 T C 1.838 176.462 174.700 -0.126 0.000 1.038 257 T CA 1.106 63.116 62.100 -0.150 0.000 1.144 257 T CB -0.149 68.759 68.868 0.066 0.000 0.866 257 T HN 0.127 nan 8.240 nan 0.000 0.434 258 R N 0.956 121.375 120.500 -0.135 0.000 2.081 258 R HA -0.058 4.283 4.340 0.003 0.000 0.235 258 R C 2.578 178.812 176.300 -0.109 0.000 1.131 258 R CA 1.467 57.497 56.100 -0.116 0.000 0.960 258 R CB -0.455 29.770 30.300 -0.126 0.000 0.856 258 R HN 0.376 nan 8.270 nan 0.000 0.436 259 A N -0.041 122.698 122.820 -0.135 0.000 1.933 259 A HA -0.217 4.104 4.320 0.003 0.000 0.218 259 A C 1.990 179.489 177.584 -0.142 0.000 1.175 259 A CA 1.284 53.243 52.037 -0.130 0.000 0.628 259 A CB -0.825 18.094 19.000 -0.136 0.000 0.814 259 A HN 0.609 nan 8.150 nan 0.000 0.444 260 Y N 0.533 120.644 120.300 -0.314 0.000 2.145 260 Y HA -0.184 4.368 4.550 0.003 0.000 0.286 260 Y C 2.384 178.173 175.900 -0.185 0.000 1.145 260 Y CA 2.022 59.938 58.100 -0.306 0.000 1.148 260 Y CB -0.332 37.830 38.460 -0.498 0.000 0.981 260 Y HN 0.066 nan 8.280 nan 0.000 0.507 261 V N 0.458 120.334 119.914 -0.063 0.000 2.343 261 V HA -0.333 3.789 4.120 0.003 0.000 0.247 261 V C 2.425 178.468 176.094 -0.085 0.000 1.051 261 V CA 2.099 64.365 62.300 -0.057 0.000 1.036 261 V CB -0.753 31.079 31.823 0.016 0.000 0.654 261 V HN 0.445 nan 8.190 nan 0.000 0.451 262 L N -0.429 120.740 121.223 -0.089 0.000 2.056 262 L HA -0.148 4.194 4.340 0.003 0.000 0.207 262 L C 2.380 179.193 176.870 -0.095 0.000 1.078 262 L CA 1.456 56.254 54.840 -0.070 0.000 0.749 262 L CB -0.721 41.299 42.059 -0.065 0.000 0.901 262 L HN 0.319 nan 8.230 nan 0.000 0.433 263 D N -0.175 120.133 120.400 -0.153 0.000 2.117 263 D HA -0.143 4.499 4.640 0.003 0.000 0.197 263 D C 2.363 178.559 176.300 -0.173 0.000 0.987 263 D CA 0.915 54.817 54.000 -0.163 0.000 0.829 263 D CB -0.118 40.561 40.800 -0.201 0.000 0.961 263 D HN 0.119 nan 8.370 nan 0.000 0.460 264 R N -0.043 120.303 120.500 -0.257 0.000 2.115 264 R HA 0.057 4.398 4.340 0.003 0.000 0.230 264 R C 2.339 178.611 176.300 -0.047 0.000 1.111 264 R CA 0.412 56.405 56.100 -0.178 0.000 0.976 264 R CB -0.521 29.667 30.300 -0.187 0.000 0.870 264 R HN 0.344 nan 8.270 nan 0.000 0.445 265 M N 0.446 120.049 119.600 0.004 0.000 2.132 265 M HA -0.138 4.343 4.480 0.003 0.000 0.263 265 M C 2.014 178.329 176.300 0.024 0.000 1.065 265 M CA 1.727 57.076 55.300 0.080 0.000 1.122 265 M CB -0.177 32.471 32.600 0.079 0.000 1.365 265 M HN -0.011 nan 8.290 nan 0.000 0.411 266 K N -0.089 120.302 120.400 -0.016 0.000 2.148 266 K HA -0.185 4.137 4.320 0.003 0.000 0.204 266 K C 1.835 178.410 176.600 -0.041 0.000 1.050 266 K CA 1.195 57.468 56.287 -0.024 0.000 0.942 266 K CB -0.183 32.295 32.500 -0.036 0.000 0.724 266 K HN 0.362 nan 8.250 nan 0.000 0.446 267 E N 0.813 120.977 120.200 -0.060 0.000 2.204 267 E HA -0.183 4.169 4.350 0.003 0.000 0.195 267 E C 1.518 178.065 176.600 -0.088 0.000 0.990 267 E CA 0.821 57.181 56.400 -0.067 0.000 0.821 267 E CB 0.276 29.942 29.700 -0.056 0.000 0.750 267 E HN 0.168 nan 8.360 nan 0.000 0.477 268 Q N -0.877 118.855 119.800 -0.114 0.000 2.444 268 Q HA 0.048 4.390 4.340 0.003 0.000 0.206 268 Q C 1.114 177.064 176.000 -0.084 0.000 0.948 268 Q CA 0.914 56.617 55.803 -0.165 0.000 0.946 268 Q CB 1.122 29.655 28.738 -0.341 0.000 1.027 268 Q HN 0.491 nan 8.270 nan 0.000 0.513 269 G N 0.227 109.000 108.800 -0.045 0.000 2.179 269 G HA2 -0.243 3.719 3.960 0.003 0.000 0.220 269 G HA3 -0.243 3.719 3.960 0.003 0.000 0.220 269 G C 0.223 175.127 174.900 0.007 0.000 0.990 269 G CA -0.046 45.041 45.100 -0.022 0.000 0.646 269 G HN 0.251 nan 8.290 nan 0.000 0.517 270 M N 1.162 120.779 119.600 0.028 0.000 2.228 270 M HA 0.352 4.834 4.480 0.003 0.000 0.351 270 M C 0.240 176.559 176.300 0.031 0.000 1.233 270 M CA 0.698 56.028 55.300 0.049 0.000 1.129 270 M CB 0.493 33.141 32.600 0.080 0.000 1.604 270 M HN 0.212 nan 8.290 nan 0.000 0.457 271 E N 3.992 124.215 120.200 0.037 0.000 2.133 271 E HA 0.494 4.846 4.350 0.003 0.000 0.274 271 E C -1.093 175.527 176.600 0.033 0.000 0.930 271 E CA -0.303 56.113 56.400 0.027 0.000 0.770 271 E CB 1.657 31.372 29.700 0.026 0.000 1.104 271 E HN 0.543 nan 8.360 nan 0.000 0.403 272 I N 4.777 125.360 120.570 0.022 0.000 2.382 272 I HA 0.337 4.508 4.170 0.003 0.000 0.285 272 I C -0.509 175.617 176.117 0.015 0.000 1.007 272 I CA -0.646 60.668 61.300 0.023 0.000 1.142 272 I CB 1.037 39.047 38.000 0.016 0.000 1.289 272 I HN 0.380 nan 8.210 nan 0.000 0.453 273 I N 5.362 125.943 120.570 0.019 0.000 2.328 273 I HA 0.280 4.452 4.170 0.003 0.000 0.287 273 I C 0.318 176.442 176.117 0.011 0.000 1.012 273 I CA -0.075 61.233 61.300 0.013 0.000 1.195 273 I CB 1.232 39.241 38.000 0.015 0.000 1.350 273 I HN 0.487 nan 8.210 nan 0.000 0.464 274 S N 3.711 119.414 115.700 0.005 0.000 2.652 274 S HA 0.490 4.962 4.470 0.003 0.000 0.270 274 S C 1.054 175.655 174.600 0.001 0.000 1.243 274 S CA 0.089 58.290 58.200 0.002 0.000 0.999 274 S CB 1.393 64.591 63.200 -0.004 0.000 0.973 274 S HN 1.061 nan 8.310 nan 0.000 0.544 275 G N 1.408 110.209 108.800 0.001 0.000 2.249 275 G HA2 -0.236 3.725 3.960 0.003 0.000 0.273 275 G HA3 -0.236 3.725 3.960 0.003 0.000 0.273 275 G C 0.038 174.939 174.900 0.002 0.000 1.036 275 G CA 0.368 45.468 45.100 -0.000 0.000 0.824 275 G HN 1.120 nan 8.290 nan 0.000 0.504 276 S N -1.253 114.449 115.700 0.004 0.000 2.503 276 S HA 0.759 5.231 4.470 0.003 0.000 0.301 276 S C -0.575 174.028 174.600 0.005 0.000 1.087 276 S CA -0.827 57.377 58.200 0.005 0.000 1.042 276 S CB 2.228 65.433 63.200 0.009 0.000 1.043 276 S HN 0.352 nan 8.310 nan 0.000 0.489 277 N N 0.906 119.607 118.700 0.003 0.000 2.410 277 N HA 0.436 5.177 4.740 0.003 0.000 0.287 277 N C -1.260 174.250 175.510 -0.001 0.000 1.044 277 N CA -0.712 52.338 53.050 0.001 0.000 0.881 277 N CB 1.957 40.443 38.487 -0.002 0.000 1.405 277 N HN 0.518 nan 8.380 nan 0.000 0.490 278 V N 1.531 121.444 119.914 -0.002 0.000 2.585 278 V HA 0.042 4.164 4.120 0.003 0.000 0.296 278 V C 1.341 177.431 176.094 -0.008 0.000 1.035 278 V CA 0.693 62.990 62.300 -0.004 0.000 1.084 278 V CB 0.839 32.657 31.823 -0.008 0.000 0.953 278 V HN 0.992 nan 8.190 nan 0.000 0.483 279 T N 2.048 116.598 114.554 -0.007 0.000 2.969 279 T HA 0.267 4.618 4.350 0.003 0.000 0.250 279 T C 0.557 175.251 174.700 -0.011 0.000 1.021 279 T CA -0.183 61.912 62.100 -0.009 0.000 1.003 279 T CB 0.328 69.192 68.868 -0.006 0.000 1.040 279 T HN 0.563 nan 8.240 nan 0.000 0.492 280 R N 0.099 120.592 120.500 -0.011 0.000 2.579 280 R HA 0.537 4.878 4.340 0.003 0.000 0.260 280 R C -2.169 174.123 176.300 -0.014 0.000 1.103 280 R CA -0.742 55.350 56.100 -0.013 0.000 0.942 280 R CB 1.350 31.643 30.300 -0.011 0.000 1.251 280 R HN 0.239 nan 8.270 nan 0.000 0.450 281 I N 3.580 124.139 120.570 -0.019 0.000 2.330 281 I HA 0.219 4.390 4.170 0.003 0.000 0.286 281 I C 0.110 176.216 176.117 -0.019 0.000 1.025 281 I CA -0.494 60.794 61.300 -0.020 0.000 1.197 281 I CB 1.621 39.601 38.000 -0.032 0.000 1.358 281 I HN 0.512 nan 8.210 nan 0.000 0.467 282 E N 6.070 126.263 120.200 -0.012 0.000 2.376 282 E HA 0.107 4.458 4.350 0.003 0.000 0.266 282 E C -0.482 176.110 176.600 -0.014 0.000 1.009 282 E CA 0.134 56.527 56.400 -0.011 0.000 0.902 282 E CB 0.870 30.567 29.700 -0.005 0.000 0.972 282 E HN 0.509 nan 8.360 nan 0.000 0.439 283 E N 2.364 122.553 120.200 -0.017 0.000 2.202 283 E HA 0.088 4.440 4.350 0.003 0.000 0.272 283 E C -0.703 175.886 176.600 -0.019 0.000 0.951 283 E CA -0.809 55.578 56.400 -0.022 0.000 0.813 283 E CB 1.130 30.815 29.700 -0.026 0.000 1.151 283 E HN 0.456 nan 8.360 nan 0.000 0.398 284 D N 0.803 121.190 120.400 -0.022 0.000 2.506 284 D HA 0.198 4.840 4.640 0.003 0.000 0.272 284 D C 0.810 177.097 176.300 -0.021 0.000 1.214 284 D CA -0.474 53.514 54.000 -0.020 0.000 1.067 284 D CB 0.389 41.176 40.800 -0.022 0.000 1.117 284 D HN 0.364 nan 8.370 nan 0.000 0.578 285 A N -0.182 122.627 122.820 -0.018 0.000 2.032 285 A HA -0.224 4.098 4.320 0.003 0.000 0.221 285 A C 1.468 179.041 177.584 -0.019 0.000 1.165 285 A CA 1.314 53.341 52.037 -0.016 0.000 0.645 285 A CB -0.770 18.222 19.000 -0.013 0.000 0.807 285 A HN 0.569 nan 8.150 nan 0.000 0.453 286 N N -0.834 117.851 118.700 -0.025 0.000 2.314 286 N HA 0.188 4.929 4.740 0.003 0.000 0.200 286 N C 1.029 176.519 175.510 -0.033 0.000 1.135 286 N CA 0.907 53.941 53.050 -0.028 0.000 0.835 286 N CB 0.390 38.857 38.487 -0.033 0.000 0.989 286 N HN 0.641 nan 8.380 nan 0.000 0.478 287 G N 1.319 110.099 108.800 -0.032 0.000 2.143 287 G HA2 -0.321 3.641 3.960 0.003 0.000 0.248 287 G HA3 -0.321 3.641 3.960 0.003 0.000 0.248 287 G C 0.198 175.069 174.900 -0.048 0.000 0.991 287 G CA 0.214 45.292 45.100 -0.036 0.000 0.689 287 G HN 0.463 nan 8.290 nan 0.000 0.522 288 R N -0.237 120.230 120.500 -0.055 0.000 2.540 288 R HA 0.626 4.968 4.340 0.003 0.000 0.287 288 R C 0.672 176.943 176.300 -0.047 0.000 0.980 288 R CA -0.617 55.441 56.100 -0.071 0.000 0.966 288 R CB 1.174 31.408 30.300 -0.109 0.000 1.106 288 R HN 0.120 nan 8.270 nan 0.000 0.480 289 V N 4.446 124.340 119.914 -0.035 0.000 2.694 289 V HA -0.076 4.046 4.120 0.003 0.000 0.306 289 V C 1.019 177.116 176.094 0.004 0.000 1.054 289 V CA 0.736 63.030 62.300 -0.009 0.000 1.161 289 V CB 1.069 32.902 31.823 0.017 0.000 0.916 289 V HN 0.970 nan 8.190 nan 0.000 0.490 290 Q N 3.789 123.592 119.800 0.005 0.000 2.288 290 Q HA 0.628 4.970 4.340 0.003 0.000 0.256 290 Q C 0.263 176.274 176.000 0.019 0.000 0.835 290 Q CA 0.477 56.286 55.803 0.011 0.000 0.958 290 Q CB 1.149 29.887 28.738 0.000 0.000 1.125 290 Q HN 0.816 nan 8.270 nan 0.000 0.513 291 A N 0.119 122.948 122.820 0.015 0.000 2.566 291 A HA 0.644 4.966 4.320 0.003 0.000 0.290 291 A C -1.734 175.858 177.584 0.012 0.000 1.071 291 A CA -0.540 51.508 52.037 0.017 0.000 0.658 291 A CB 1.737 20.744 19.000 0.011 0.000 1.285 291 A HN 0.052 nan 8.150 nan 0.000 0.427 292 V N 0.487 120.409 119.914 0.014 0.000 2.588 292 V HA 0.578 4.699 4.120 0.003 0.000 0.304 292 V C -0.655 175.444 176.094 0.007 0.000 1.042 292 V CA -0.554 61.751 62.300 0.008 0.000 0.877 292 V CB 1.662 33.493 31.823 0.014 0.000 0.996 292 V HN 0.793 nan 8.190 nan 0.000 0.425 293 V N 3.994 123.909 119.914 0.002 0.000 2.483 293 V HA 0.928 5.050 4.120 0.003 0.000 0.295 293 V C 0.225 176.319 176.094 0.001 0.000 1.035 293 V CA -0.121 62.180 62.300 0.002 0.000 0.896 293 V CB 1.690 33.512 31.823 -0.001 0.000 0.986 293 V HN 1.064 nan 8.190 nan 0.000 0.447 294 A N 5.101 127.923 122.820 0.003 0.000 2.539 294 A HA 0.903 5.225 4.320 0.003 0.000 0.296 294 A C -1.048 176.537 177.584 0.002 0.000 1.073 294 A CA -0.721 51.318 52.037 0.003 0.000 0.700 294 A CB 1.826 20.830 19.000 0.006 0.000 1.296 294 A HN 0.790 nan 8.150 nan 0.000 0.405 295 M N 2.013 121.613 119.600 0.001 0.000 2.264 295 M HA 0.636 5.118 4.480 0.003 0.000 0.352 295 M C 0.216 176.517 176.300 0.001 0.000 1.173 295 M CA 0.093 55.393 55.300 0.000 0.000 1.075 295 M CB 1.071 33.670 32.600 -0.001 0.000 1.621 295 M HN 1.082 nan 8.290 nan 0.000 0.457 296 T N 1.903 116.458 114.554 0.001 0.000 2.858 296 T HA 0.709 5.060 4.350 0.003 0.000 0.285 296 T C -2.435 172.264 174.700 -0.001 0.000 1.052 296 T CA -1.503 60.598 62.100 0.001 0.000 1.009 296 T CB 1.141 70.010 68.868 0.002 0.000 1.241 296 T HN 0.488 nan 8.240 nan 0.000 0.542 297 P HA 0.099 nan 4.420 nan 0.000 0.222 297 P C 0.539 177.837 177.300 -0.003 0.000 1.147 297 P CA 0.922 64.020 63.100 -0.003 0.000 0.790 297 P CB -0.158 31.539 31.700 -0.004 0.000 0.780 298 N N -1.091 117.608 118.700 -0.003 0.000 2.235 298 N HA 0.310 5.051 4.740 0.003 0.000 0.209 298 N C 0.518 176.026 175.510 -0.002 0.000 1.122 298 N CA 0.040 53.089 53.050 -0.003 0.000 0.845 298 N CB 0.521 39.007 38.487 -0.003 0.000 1.004 298 N HN 0.065 nan 8.380 nan 0.000 0.499 299 G N 1.372 110.171 108.800 -0.002 0.000 2.498 299 G HA2 -0.211 3.750 3.960 0.003 0.000 0.651 299 G HA3 -0.211 3.750 3.960 0.003 0.000 0.651 299 G C -1.085 173.814 174.900 -0.001 0.000 1.284 299 G CA -0.915 44.184 45.100 -0.001 0.000 0.950 299 G HN 0.246 nan 8.290 nan 0.000 0.511 300 E N -0.288 119.912 120.200 -0.001 0.000 2.373 300 E HA 0.544 4.896 4.350 0.003 0.000 0.267 300 E C 0.749 177.350 176.600 0.001 0.000 1.032 300 E CA -0.084 56.316 56.400 0.000 0.000 0.889 300 E CB 0.358 30.058 29.700 -0.001 0.000 0.984 300 E HN 0.797 nan 8.360 nan 0.000 0.425 301 M N 2.725 122.327 119.600 0.003 0.000 2.619 301 M HA 0.551 5.033 4.480 0.003 0.000 0.297 301 M C -1.026 175.277 176.300 0.006 0.000 1.229 301 M CA -1.017 54.285 55.300 0.004 0.000 0.860 301 M CB 2.324 34.928 32.600 0.006 0.000 1.741 301 M HN 0.328 nan 8.290 nan 0.000 0.462 302 R N 2.164 122.668 120.500 0.007 0.000 2.502 302 R HA 0.732 5.074 4.340 0.003 0.000 0.300 302 R C -2.190 174.117 176.300 0.012 0.000 0.984 302 R CA -0.432 55.673 56.100 0.008 0.000 0.882 302 R CB 1.538 31.841 30.300 0.006 0.000 1.180 302 R HN 0.973 nan 8.270 nan 0.000 0.444 303 I N 3.915 124.495 120.570 0.016 0.000 2.389 303 I HA 0.238 4.410 4.170 0.003 0.000 0.288 303 I C -0.069 176.063 176.117 0.025 0.000 0.999 303 I CA -0.762 60.551 61.300 0.022 0.000 1.129 303 I CB 2.004 40.021 38.000 0.029 0.000 1.288 303 I HN 0.507 nan 8.210 nan 0.000 0.444 304 E N 4.423 124.637 120.200 0.025 0.000 2.316 304 E HA 0.384 4.736 4.350 0.003 0.000 0.275 304 E C -0.218 176.407 176.600 0.042 0.000 1.029 304 E CA 0.014 56.431 56.400 0.028 0.000 0.871 304 E CB 1.465 31.178 29.700 0.022 0.000 1.022 304 E HN 0.532 nan 8.360 nan 0.000 0.418 305 T N 0.959 115.544 114.554 0.052 0.000 2.827 305 T HA 0.124 4.476 4.350 0.003 0.000 0.328 305 T C -1.562 173.198 174.700 0.101 0.000 1.598 305 T CA -0.742 61.408 62.100 0.083 0.000 1.043 305 T CB 1.158 70.084 68.868 0.096 0.000 1.447 305 T HN 0.569 nan 8.240 nan 0.000 0.491 306 D N 1.137 121.634 120.400 0.162 0.000 2.535 306 D HA 0.276 4.918 4.640 0.003 0.000 0.229 306 D C -0.336 176.199 176.300 0.391 0.000 1.238 306 D CA -0.149 53.966 54.000 0.191 0.000 0.824 306 D CB -0.029 40.858 40.800 0.146 0.000 1.045 306 D HN 0.267 nan 8.370 nan 0.000 0.500 307 F N 0.912 120.960 119.950 0.163 0.000 2.787 307 F HA 0.465 4.994 4.527 0.003 0.000 0.340 307 F C -2.006 173.874 175.800 0.133 0.000 1.232 307 F CA -0.835 57.288 58.000 0.205 0.000 1.051 307 F CB 1.637 40.680 39.000 0.072 0.000 1.330 307 F HN -0.224 nan 8.300 nan 0.000 0.522 308 V N 6.946 126.694 119.914 -0.278 0.000 2.448 308 V HA 0.435 4.556 4.120 0.003 0.000 0.295 308 V C -1.073 174.836 176.094 -0.309 0.000 1.025 308 V CA -0.812 61.360 62.300 -0.214 0.000 0.859 308 V CB 1.782 33.550 31.823 -0.091 0.000 0.988 308 V HN 0.625 nan 8.190 nan 0.000 0.431 309 F N 5.689 125.464 119.950 -0.292 0.000 2.449 309 F HA 0.647 5.176 4.527 0.003 0.000 0.342 309 F C -0.482 175.318 175.800 -0.000 0.000 1.127 309 F CA -0.671 57.256 58.000 -0.122 0.000 0.975 309 F CB 1.197 40.274 39.000 0.128 0.000 1.146 309 F HN 0.315 nan 8.300 nan 0.000 0.444 310 L N 6.338 127.189 121.223 -0.620 0.000 2.260 310 L HA 0.430 4.772 4.340 0.003 0.000 0.289 310 L C 0.664 177.208 176.870 -0.543 0.000 1.057 310 L CA -0.550 54.041 54.840 -0.414 0.000 0.811 310 L CB 1.075 42.954 42.059 -0.301 0.000 1.184 310 L HN 0.916 nan 8.230 nan 0.000 0.429 311 G N 5.301 114.005 108.800 -0.160 0.000 4.829 311 G HA2 0.492 4.454 3.960 0.003 0.000 0.320 311 G HA3 0.492 4.454 3.960 0.003 0.000 0.320 311 G C 0.026 174.923 174.900 -0.004 0.000 1.445 311 G CA -0.305 44.785 45.100 -0.017 0.000 1.151 311 G HN 0.356 nan 8.290 nan 0.000 0.572 312 L N 0.056 121.252 121.223 -0.045 0.000 2.569 312 L HA 0.677 5.018 4.340 0.003 0.000 0.247 312 L C 1.583 178.451 176.870 -0.003 0.000 1.135 312 L CA -1.038 53.791 54.840 -0.018 0.000 0.812 312 L CB 0.288 42.328 42.059 -0.031 0.000 1.431 312 L HN 0.305 nan 8.230 nan 0.000 0.499 313 G N -0.507 108.295 108.800 0.004 0.000 2.529 313 G HA2 0.192 4.153 3.960 0.003 0.000 0.277 313 G HA3 0.192 4.153 3.960 0.003 0.000 0.277 313 G C -0.497 174.416 174.900 0.021 0.000 1.383 313 G CA -0.336 44.771 45.100 0.012 0.000 1.050 313 G HN 0.538 nan 8.290 nan 0.000 0.526 314 E N -0.063 120.152 120.200 0.025 0.000 2.238 314 E HA 0.248 4.600 4.350 0.003 0.000 0.267 314 E C -0.620 175.997 176.600 0.029 0.000 0.887 314 E CA -0.441 55.984 56.400 0.042 0.000 0.769 314 E CB 2.106 31.833 29.700 0.045 0.000 1.187 314 E HN 0.413 nan 8.360 nan 0.000 0.416 315 Q N 2.191 122.009 119.800 0.031 0.000 2.333 315 Q HA 0.403 4.745 4.340 0.003 0.000 0.265 315 Q C -2.426 173.586 176.000 0.020 0.000 0.989 315 Q CA -2.186 53.628 55.803 0.019 0.000 0.842 315 Q CB 1.509 30.253 28.738 0.011 0.000 1.262 315 Q HN 0.055 nan 8.270 nan 0.000 0.451 316 P HA -0.036 nan 4.420 nan 0.000 0.262 316 P C -0.425 176.880 177.300 0.008 0.000 1.182 316 P CA 0.277 63.385 63.100 0.013 0.000 0.761 316 P CB 0.411 32.117 31.700 0.010 0.000 0.795 317 R N 2.130 122.634 120.500 0.006 0.000 4.164 317 R HA 0.073 4.415 4.340 0.003 0.000 0.195 317 R C 0.914 177.211 176.300 -0.005 0.000 1.712 317 R CA 0.166 56.263 56.100 -0.004 0.000 1.457 317 R CB -0.496 29.796 30.300 -0.014 0.000 1.387 317 R HN 0.537 nan 8.270 nan 0.000 0.785 318 S N -0.814 114.884 115.700 -0.003 0.000 2.502 318 S HA 0.065 4.536 4.470 0.003 0.000 0.215 318 S C 2.002 176.599 174.600 -0.005 0.000 1.009 318 S CA 0.184 58.383 58.200 -0.003 0.000 0.908 318 S CB 0.475 63.675 63.200 -0.000 0.000 0.801 318 S HN 0.428 nan 8.310 nan 0.000 0.505 319 A N 2.726 125.542 122.820 -0.007 0.000 1.863 319 A HA -0.251 4.070 4.320 0.003 0.000 0.218 319 A C 2.149 179.729 177.584 -0.007 0.000 1.233 319 A CA 2.315 54.348 52.037 -0.007 0.000 0.655 319 A CB -1.398 17.597 19.000 -0.008 0.000 0.839 319 A HN 0.570 nan 8.150 nan 0.000 0.454 320 E N -0.077 120.117 120.200 -0.010 0.000 2.049 320 E HA -0.169 4.183 4.350 0.003 0.000 0.198 320 E C 1.902 178.498 176.600 -0.007 0.000 1.007 320 E CA 1.736 58.130 56.400 -0.009 0.000 0.809 320 E CB -0.493 29.199 29.700 -0.014 0.000 0.749 320 E HN 0.565 nan 8.360 nan 0.000 0.450 321 L N -0.228 120.990 121.223 -0.008 0.000 2.083 321 L HA -0.168 4.174 4.340 0.003 0.000 0.209 321 L C 2.483 179.351 176.870 -0.004 0.000 1.083 321 L CA 1.155 55.992 54.840 -0.006 0.000 0.752 321 L CB -0.550 41.505 42.059 -0.006 0.000 0.899 321 L HN 0.239 nan 8.230 nan 0.000 0.433 322 A N -0.208 122.609 122.820 -0.005 0.000 1.969 322 A HA -0.229 4.093 4.320 0.003 0.000 0.218 322 A C 2.376 179.959 177.584 -0.003 0.000 1.169 322 A CA 1.780 53.815 52.037 -0.004 0.000 0.635 322 A CB -0.315 18.682 19.000 -0.004 0.000 0.810 322 A HN 0.336 nan 8.150 nan 0.000 0.445 323 K N -0.242 120.156 120.400 -0.003 0.000 2.044 323 K HA 0.037 4.358 4.320 0.003 0.000 0.204 323 K C 1.736 178.336 176.600 0.001 0.000 1.049 323 K CA 1.247 57.533 56.287 -0.001 0.000 0.945 323 K CB -0.257 32.242 32.500 -0.002 0.000 0.724 323 K HN 0.464 nan 8.250 nan 0.000 0.440 324 I N 0.894 121.465 120.570 0.001 0.000 2.315 324 I HA -0.242 3.930 4.170 0.003 0.000 0.248 324 I C 1.841 177.962 176.117 0.006 0.000 1.117 324 I CA 1.127 62.430 61.300 0.005 0.000 1.404 324 I CB -0.005 37.998 38.000 0.006 0.000 1.071 324 I HN 0.171 nan 8.210 nan 0.000 0.419 325 L N -0.205 121.019 121.223 0.003 0.000 2.556 325 L HA 0.299 4.640 4.340 0.003 0.000 0.226 325 L C 1.337 178.208 176.870 0.000 0.000 1.089 325 L CA 0.422 55.263 54.840 0.002 0.000 0.864 325 L CB 0.009 42.066 42.059 -0.005 0.000 1.067 325 L HN 0.419 nan 8.230 nan 0.000 0.477 326 G N 1.511 110.310 108.800 -0.001 0.000 2.212 326 G HA2 -0.251 3.711 3.960 0.003 0.000 0.255 326 G HA3 -0.251 3.711 3.960 0.003 0.000 0.255 326 G C 0.050 174.947 174.900 -0.005 0.000 1.062 326 G CA -0.268 44.831 45.100 -0.002 0.000 0.815 326 G HN 0.192 nan 8.290 nan 0.000 0.497 327 L N 0.198 121.416 121.223 -0.007 0.000 2.416 327 L HA 0.326 4.668 4.340 0.003 0.000 0.272 327 L C 0.353 177.218 176.870 -0.008 0.000 1.161 327 L CA -0.728 54.106 54.840 -0.010 0.000 0.845 327 L CB 0.378 42.431 42.059 -0.010 0.000 1.119 327 L HN 0.018 nan 8.230 nan 0.000 0.464 328 D N 3.279 123.673 120.400 -0.010 0.000 2.389 328 D HA 0.446 5.087 4.640 0.003 0.000 0.247 328 D C -0.152 176.144 176.300 -0.007 0.000 1.128 328 D CA 0.191 54.186 54.000 -0.008 0.000 0.884 328 D CB 1.066 41.861 40.800 -0.009 0.000 1.194 328 D HN 0.243 nan 8.370 nan 0.000 0.441 329 L N 0.925 122.145 121.223 -0.005 0.000 2.319 329 L HA 0.646 4.987 4.340 0.003 0.000 0.267 329 L C 1.130 177.998 176.870 -0.004 0.000 1.011 329 L CA -1.080 53.758 54.840 -0.004 0.000 0.818 329 L CB 1.864 43.922 42.059 -0.003 0.000 1.316 329 L HN 0.324 nan 8.230 nan 0.000 0.432 330 G N -0.153 108.645 108.800 -0.003 0.000 2.535 330 G HA2 0.392 4.354 3.960 0.003 0.000 0.303 330 G HA3 0.392 4.354 3.960 0.003 0.000 0.303 330 G C -1.793 173.106 174.900 -0.002 0.000 1.237 330 G CA -0.915 44.184 45.100 -0.003 0.000 0.986 330 G HN 0.492 nan 8.290 nan 0.000 0.494 331 P HA -0.030 nan 4.420 nan 0.000 0.228 331 P C 0.721 178.021 177.300 -0.000 0.000 1.151 331 P CA 1.097 64.197 63.100 -0.001 0.000 0.770 331 P CB 0.353 32.052 31.700 -0.001 0.000 0.786 332 K N -1.204 119.197 120.400 0.001 0.000 2.414 332 K HA 0.307 4.629 4.320 0.003 0.000 0.204 332 K C 0.977 177.578 176.600 0.002 0.000 1.026 332 K CA 0.451 56.739 56.287 0.002 0.000 1.108 332 K CB 0.284 32.786 32.500 0.004 0.000 0.855 332 K HN 0.087 nan 8.250 nan 0.000 0.517 333 G N 2.723 111.523 108.800 0.001 0.000 2.157 333 G HA2 -0.253 3.709 3.960 0.003 0.000 0.248 333 G HA3 -0.253 3.709 3.960 0.003 0.000 0.248 333 G C -0.137 174.764 174.900 0.001 0.000 0.979 333 G CA 0.264 45.365 45.100 0.000 0.000 0.650 333 G HN 0.434 nan 8.290 nan 0.000 0.529 334 E N 0.987 121.188 120.200 0.002 0.000 2.354 334 E HA 0.413 4.765 4.350 0.003 0.000 0.269 334 E C 0.238 176.838 176.600 0.001 0.000 1.036 334 E CA -0.570 55.831 56.400 0.002 0.000 0.876 334 E CB 1.757 31.457 29.700 0.001 0.000 1.009 334 E HN 0.299 nan 8.360 nan 0.000 0.416 335 V N 4.414 124.330 119.914 0.004 0.000 2.479 335 V HA 0.029 4.151 4.120 0.003 0.000 0.281 335 V C 0.795 176.890 176.094 0.001 0.000 1.031 335 V CA -0.197 62.105 62.300 0.003 0.000 1.038 335 V CB 0.070 31.897 31.823 0.007 0.000 0.981 335 V HN 0.530 nan 8.190 nan 0.000 0.478 336 L N 6.501 127.721 121.223 -0.004 0.000 2.426 336 L HA 0.559 4.901 4.340 0.003 0.000 0.271 336 L C -0.044 176.820 176.870 -0.009 0.000 1.169 336 L CA 0.001 54.836 54.840 -0.007 0.000 0.836 336 L CB 1.169 43.223 42.059 -0.010 0.000 1.112 336 L HN 0.647 nan 8.230 nan 0.000 0.465 337 V N -0.751 119.158 119.914 -0.009 0.000 3.087 337 V HA 0.533 4.655 4.120 0.003 0.000 0.306 337 V C -0.674 175.410 176.094 -0.016 0.000 1.187 337 V CA -1.188 61.107 62.300 -0.008 0.000 0.999 337 V CB 1.832 33.667 31.823 0.019 0.000 1.049 337 V HN 0.834 nan 8.190 nan 0.000 0.431 338 N N 1.630 120.322 118.700 -0.013 0.000 2.374 338 N HA 0.215 4.957 4.740 0.003 0.000 0.284 338 N C 0.942 176.395 175.510 -0.096 0.000 1.280 338 N CA 0.074 53.102 53.050 -0.037 0.000 0.963 338 N CB 0.010 38.507 38.487 0.015 0.000 1.141 338 N HN 0.871 nan 8.380 nan 0.000 0.565 339 E N -1.113 118.934 120.200 -0.255 0.000 2.472 339 E HA -0.206 4.145 4.350 0.003 0.000 0.200 339 E C 0.005 176.360 176.600 -0.409 0.000 1.046 339 E CA 1.146 57.316 56.400 -0.383 0.000 0.871 339 E CB -0.560 28.822 29.700 -0.530 0.000 0.806 339 E HN 0.711 nan 8.360 nan 0.000 0.533 340 Y N 0.407 120.777 120.300 0.117 0.000 2.524 340 Y HA 0.248 4.800 4.550 0.003 0.000 0.266 340 Y C 0.688 176.747 175.900 0.265 0.000 1.180 340 Y CA -0.586 57.629 58.100 0.192 0.000 1.244 340 Y CB 0.514 39.077 38.460 0.173 0.000 1.125 340 Y HN -0.175 nan 8.280 nan 0.000 0.524 341 L N -0.491 120.880 121.223 0.246 0.000 4.291 341 L HA -0.310 4.032 4.340 0.003 0.000 0.413 341 L C -0.308 176.675 176.870 0.189 0.000 1.162 341 L CA 0.772 55.767 54.840 0.258 0.000 0.961 341 L CB -2.571 39.703 42.059 0.358 0.000 2.095 341 L HN 0.432 nan 8.230 nan 0.000 0.838 342 Q N 0.105 119.900 119.800 -0.007 0.000 2.243 342 Q HA 0.506 4.848 4.340 0.003 0.000 0.252 342 Q C 1.191 177.100 176.000 -0.152 0.000 0.909 342 Q CA 0.297 55.908 55.803 -0.320 0.000 0.922 342 Q CB 1.647 30.185 28.738 -0.334 0.000 1.215 342 Q HN 0.439 nan 8.270 nan 0.000 0.427 343 T N -1.791 112.663 114.554 -0.167 0.000 2.900 343 T HA 0.062 4.414 4.350 0.003 0.000 0.326 343 T C 1.368 176.021 174.700 -0.079 0.000 1.145 343 T CA 0.049 62.099 62.100 -0.083 0.000 0.963 343 T CB 0.321 69.150 68.868 -0.063 0.000 1.512 343 T HN 0.622 nan 8.240 nan 0.000 0.552 344 S N -1.238 114.432 115.700 -0.050 0.000 2.527 344 S HA 0.171 4.643 4.470 0.003 0.000 0.222 344 S C 0.601 175.177 174.600 -0.041 0.000 0.985 344 S CA -0.428 57.749 58.200 -0.037 0.000 0.921 344 S CB -0.408 62.779 63.200 -0.022 0.000 0.772 344 S HN 0.540 nan 8.310 nan 0.000 0.529 345 V N 3.770 123.652 119.914 -0.052 0.000 2.439 345 V HA 0.393 4.514 4.120 0.003 0.000 0.282 345 V C -2.482 173.570 176.094 -0.071 0.000 1.039 345 V CA -2.249 60.024 62.300 -0.045 0.000 0.913 345 V CB 0.965 32.767 31.823 -0.036 0.000 0.983 345 V HN 0.126 nan 8.190 nan 0.000 0.460 346 P HA 0.086 nan 4.420 nan 0.000 0.262 346 P C 0.268 177.535 177.300 -0.055 0.000 1.182 346 P CA 0.599 63.679 63.100 -0.033 0.000 0.761 346 P CB 0.055 31.773 31.700 0.029 0.000 0.795 347 N N -0.610 118.042 118.700 -0.079 0.000 2.753 347 N HA -0.145 4.596 4.740 0.003 0.000 0.251 347 N C -0.826 174.645 175.510 -0.064 0.000 1.097 347 N CA 0.773 53.793 53.050 -0.049 0.000 0.786 347 N CB -1.745 36.687 38.487 -0.091 0.000 1.137 347 N HN 0.130 nan 8.380 nan 0.000 0.566 348 V N 0.970 120.800 119.914 -0.140 0.000 2.409 348 V HA 0.494 4.616 4.120 0.003 0.000 0.291 348 V C -0.396 175.619 176.094 -0.131 0.000 1.020 348 V CA -0.661 61.598 62.300 -0.069 0.000 0.848 348 V CB 0.883 32.661 31.823 -0.075 0.000 0.990 348 V HN 0.086 nan 8.190 nan 0.000 0.430 349 Y N 2.303 122.566 120.300 -0.062 0.000 2.567 349 Y HA 0.849 5.400 4.550 0.003 0.000 0.333 349 Y C 0.389 176.276 175.900 -0.022 0.000 1.106 349 Y CA -0.879 57.206 58.100 -0.026 0.000 1.157 349 Y CB 2.055 40.501 38.460 -0.024 0.000 1.277 349 Y HN 0.678 nan 8.280 nan 0.000 0.490 350 A N 1.179 124.101 122.820 0.171 0.000 2.422 350 A HA 0.875 5.197 4.320 0.003 0.000 0.302 350 A C -1.231 176.426 177.584 0.121 0.000 1.041 350 A CA -0.544 51.556 52.037 0.105 0.000 0.708 350 A CB 1.067 20.102 19.000 0.057 0.000 1.257 350 A HN 0.918 nan 8.150 nan 0.000 0.414 351 V N -0.889 119.088 119.914 0.105 0.000 3.182 351 V HA 1.007 5.129 4.120 0.003 0.000 0.308 351 V C 0.646 176.781 176.094 0.067 0.000 1.240 351 V CA 0.033 62.394 62.300 0.102 0.000 1.063 351 V CB 0.759 32.659 31.823 0.129 0.000 1.076 351 V HN 2.877 nan 8.190 nan 0.000 0.446 352 G N 0.889 109.715 108.800 0.043 0.000 2.569 352 G HA2 -0.239 3.723 3.960 0.003 0.000 0.259 352 G HA3 -0.239 3.723 3.960 0.003 0.000 0.259 352 G C 0.146 175.043 174.900 -0.006 0.000 1.263 352 G CA 0.848 45.952 45.100 0.006 0.000 0.928 352 G HN 1.114 nan 8.290 nan 0.000 0.572 353 D N -0.222 120.175 120.400 -0.004 0.000 2.263 353 D HA -0.018 4.624 4.640 0.003 0.000 0.208 353 D C 2.464 178.770 176.300 0.009 0.000 0.971 353 D CA 1.135 55.133 54.000 -0.003 0.000 0.867 353 D CB -0.104 40.705 40.800 0.016 0.000 0.929 353 D HN 0.383 nan 8.370 nan 0.000 0.492 354 L N 0.930 122.165 121.223 0.020 0.000 2.131 354 L HA -0.078 4.264 4.340 0.003 0.000 0.210 354 L C 1.721 178.600 176.870 0.016 0.000 1.092 354 L CA 1.346 56.199 54.840 0.021 0.000 0.759 354 L CB -0.414 41.662 42.059 0.028 0.000 0.903 354 L HN 0.151 nan 8.230 nan 0.000 0.435 355 I N -2.842 117.737 120.570 0.016 0.000 3.810 355 I HA 0.517 4.688 4.170 0.003 0.000 0.322 355 I C 0.989 177.105 176.117 -0.001 0.000 1.288 355 I CA 0.119 61.426 61.300 0.011 0.000 1.143 355 I CB -0.951 37.061 38.000 0.021 0.000 1.012 355 I HN 0.252 nan 8.210 nan 0.000 0.423 356 G N 0.821 109.619 108.800 -0.004 0.000 2.627 356 G HA2 -0.068 3.894 3.960 0.003 0.000 0.214 356 G HA3 -0.068 3.894 3.960 0.003 0.000 0.214 356 G C 0.064 174.950 174.900 -0.022 0.000 1.331 356 G CA -0.602 44.493 45.100 -0.008 0.000 0.891 356 G HN 0.745 nan 8.290 nan 0.000 0.539 357 G N 0.680 109.473 108.800 -0.013 0.000 2.594 357 G HA2 0.621 4.582 3.960 0.003 0.000 0.243 357 G HA3 0.621 4.582 3.960 0.003 0.000 0.243 357 G C -1.441 173.443 174.900 -0.026 0.000 1.229 357 G CA 0.188 45.278 45.100 -0.017 0.000 0.843 357 G HN 0.769 nan 8.290 nan 0.000 0.578 358 P HA 0.197 nan 4.420 nan 0.000 0.280 358 P C -0.394 176.790 177.300 -0.193 0.000 1.244 358 P CA -0.221 62.822 63.100 -0.094 0.000 0.784 358 P CB 1.121 32.735 31.700 -0.144 0.000 0.913 359 M N 3.000 122.528 119.600 -0.120 0.000 2.923 359 M HA 0.181 4.663 4.480 0.003 0.000 0.311 359 M C 0.213 176.417 176.300 -0.160 0.000 1.376 359 M CA 0.291 55.516 55.300 -0.126 0.000 1.468 359 M CB 0.081 32.650 32.600 -0.051 0.000 1.151 359 M HN 0.226 nan 8.290 nan 0.000 0.517 360 E N 1.208 121.209 120.200 -0.332 0.000 2.392 360 E HA 0.383 4.735 4.350 0.003 0.000 0.269 360 E C 0.444 176.809 176.600 -0.390 0.000 0.924 360 E CA -0.649 55.547 56.400 -0.340 0.000 0.784 360 E CB 1.574 30.958 29.700 -0.525 0.000 1.292 360 E HN 0.436 nan 8.360 nan 0.000 0.447 361 M N 0.409 119.882 119.600 -0.211 0.000 2.175 361 M HA -0.059 4.423 4.480 0.003 0.000 0.264 361 M C 2.059 178.217 176.300 -0.237 0.000 1.063 361 M CA 1.365 56.556 55.300 -0.183 0.000 1.119 361 M CB -0.940 31.603 32.600 -0.094 0.000 1.377 361 M HN 0.548 nan 8.290 nan 0.000 0.415 362 F N 0.607 120.469 119.950 -0.146 0.000 2.171 362 F HA -0.093 4.436 4.527 0.003 0.000 0.300 362 F C 2.210 177.934 175.800 -0.127 0.000 1.090 362 F CA 1.213 59.121 58.000 -0.153 0.000 1.293 362 F CB -1.052 37.878 39.000 -0.117 0.000 1.013 362 F HN -0.065 nan 8.300 nan 0.000 0.486 363 K N 1.623 121.425 120.400 -0.998 0.000 2.025 363 K HA -0.033 4.289 4.320 0.003 0.000 0.207 363 K C 2.313 178.773 176.600 -0.233 0.000 1.049 363 K CA 1.426 57.390 56.287 -0.538 0.000 0.933 363 K CB -0.897 31.151 32.500 -0.754 0.000 0.714 363 K HN 0.395 nan 8.250 nan 0.000 0.438 364 A N 1.485 124.149 122.820 -0.261 0.000 1.865 364 A HA -0.188 4.133 4.320 0.003 0.000 0.217 364 A C 2.311 179.823 177.584 -0.120 0.000 1.191 364 A CA 1.834 53.789 52.037 -0.137 0.000 0.623 364 A CB -0.513 18.417 19.000 -0.117 0.000 0.826 364 A HN 0.376 nan 8.150 nan 0.000 0.444 365 R N -0.297 120.072 120.500 -0.219 0.000 2.073 365 R HA -0.108 4.234 4.340 0.003 0.000 0.234 365 R C 2.312 178.538 176.300 -0.124 0.000 1.134 365 R CA 1.801 57.734 56.100 -0.279 0.000 0.952 365 R CB -0.297 29.543 30.300 -0.767 0.000 0.850 365 R HN 0.517 nan 8.270 nan 0.000 0.433 366 K N 0.297 120.608 120.400 -0.149 0.000 2.057 366 K HA -0.097 4.225 4.320 0.003 0.000 0.206 366 K C 2.342 178.809 176.600 -0.223 0.000 1.050 366 K CA 1.696 57.888 56.287 -0.160 0.000 0.935 366 K CB -0.118 32.201 32.500 -0.302 0.000 0.715 366 K HN 0.202 nan 8.250 nan 0.000 0.439 367 S N 0.600 116.143 115.700 -0.261 0.000 2.382 367 S HA -0.119 4.353 4.470 0.003 0.000 0.228 367 S C 2.282 176.915 174.600 0.054 0.000 1.027 367 S CA 1.182 59.330 58.200 -0.087 0.000 0.991 367 S CB -0.938 62.317 63.200 0.091 0.000 0.823 367 S HN 0.379 nan 8.310 nan 0.000 0.469 368 G N 0.676 109.514 108.800 0.063 0.000 2.446 368 G HA2 -0.206 3.755 3.960 0.003 0.000 0.217 368 G HA3 -0.206 3.755 3.960 0.003 0.000 0.217 368 G C 1.584 176.563 174.900 0.132 0.000 1.168 368 G CA 1.092 46.277 45.100 0.143 0.000 0.771 368 G HN 0.637 nan 8.290 nan 0.000 0.551 369 C N -0.604 118.731 119.300 0.058 0.000 2.453 369 C HA 0.017 4.479 4.460 0.003 0.000 0.277 369 C C 2.486 177.341 174.990 -0.225 0.000 1.262 369 C CA 0.487 59.434 59.018 -0.118 0.000 1.718 369 C CB -1.181 26.381 27.740 -0.298 0.000 2.031 369 C HN 0.518 nan 8.230 nan 0.000 0.480 370 Y N 1.569 121.723 120.300 -0.243 0.000 2.224 370 Y HA -0.100 4.452 4.550 0.003 0.000 0.289 370 Y C 2.649 178.517 175.900 -0.055 0.000 1.146 370 Y CA 1.425 59.430 58.100 -0.158 0.000 1.182 370 Y CB -0.907 37.476 38.460 -0.127 0.000 0.983 370 Y HN 0.278 nan 8.280 nan 0.000 0.524 371 A N 0.017 122.906 122.820 0.115 0.000 1.902 371 A HA -0.145 4.177 4.320 0.003 0.000 0.217 371 A C 2.468 179.922 177.584 -0.217 0.000 1.181 371 A CA 1.837 53.850 52.037 -0.041 0.000 0.623 371 A CB -1.249 17.735 19.000 -0.026 0.000 0.818 371 A HN 0.397 nan 8.150 nan 0.000 0.443 372 A N -0.136 122.649 122.820 -0.058 0.000 1.877 372 A HA -0.187 4.134 4.320 0.003 0.000 0.216 372 A C 2.236 179.812 177.584 -0.014 0.000 1.186 372 A CA 1.648 53.689 52.037 0.005 0.000 0.620 372 A CB -0.489 18.620 19.000 0.181 0.000 0.822 372 A HN 0.554 nan 8.150 nan 0.000 0.443 373 R N -0.479 119.999 120.500 -0.037 0.000 2.096 373 R HA -0.133 4.209 4.340 0.003 0.000 0.235 373 R C 1.984 178.286 176.300 0.003 0.000 1.127 373 R CA 1.727 57.819 56.100 -0.014 0.000 0.968 373 R CB -0.432 29.788 30.300 -0.134 0.000 0.861 373 R HN 0.696 nan 8.270 nan 0.000 0.440 374 N N -0.314 118.388 118.700 0.003 0.000 2.188 374 N HA -0.108 4.633 4.740 0.003 0.000 0.184 374 N C 1.614 177.125 175.510 0.001 0.000 1.018 374 N CA 0.783 53.865 53.050 0.053 0.000 0.858 374 N CB 0.102 38.708 38.487 0.198 0.000 0.989 374 N HN -0.062 nan 8.380 nan 0.000 0.426 375 V N 0.965 120.787 119.914 -0.153 0.000 2.490 375 V HA -0.144 3.977 4.120 0.003 0.000 0.250 375 V C 1.617 177.698 176.094 -0.022 0.000 1.061 375 V CA 1.199 63.416 62.300 -0.139 0.000 1.064 375 V CB -0.264 31.393 31.823 -0.277 0.000 0.670 375 V HN 0.435 nan 8.190 nan 0.000 0.461 376 M N -0.594 119.004 119.600 -0.004 0.000 2.568 376 M HA 0.265 4.746 4.480 0.003 0.000 0.226 376 M C 1.664 177.981 176.300 0.028 0.000 1.148 376 M CA 0.946 56.261 55.300 0.025 0.000 1.007 376 M CB -0.600 32.027 32.600 0.045 0.000 1.651 376 M HN 0.508 nan 8.290 nan 0.000 0.488 377 G N 0.714 109.530 108.800 0.027 0.000 2.195 377 G HA2 -0.237 3.725 3.960 0.003 0.000 0.246 377 G HA3 -0.237 3.725 3.960 0.003 0.000 0.246 377 G C 0.198 175.111 174.900 0.020 0.000 0.984 377 G CA 0.132 45.246 45.100 0.024 0.000 0.633 377 G HN 0.518 nan 8.290 nan 0.000 0.525 378 E N 1.185 121.402 120.200 0.028 0.000 1.924 378 E HA 0.328 4.679 4.350 0.003 0.000 0.261 378 E C 0.579 177.205 176.600 0.043 0.000 1.088 378 E CA -0.577 55.842 56.400 0.032 0.000 0.909 378 E CB -0.054 29.668 29.700 0.037 0.000 1.112 378 E HN 0.325 nan 8.360 nan 0.000 0.425 379 K N 5.623 126.034 120.400 0.020 0.000 2.319 379 K HA 0.030 4.352 4.320 0.003 0.000 0.277 379 K C -0.672 176.012 176.600 0.138 0.000 1.111 379 K CA 0.264 56.546 56.287 -0.007 0.000 1.093 379 K CB 0.039 32.467 32.500 -0.120 0.000 0.910 379 K HN 0.552 nan 8.250 nan 0.000 0.452 380 I N 3.419 124.166 120.570 0.294 0.000 2.569 380 I HA 0.185 4.357 4.170 0.003 0.000 0.290 380 I C -0.676 175.788 176.117 0.578 0.000 1.088 380 I CA -0.442 61.094 61.300 0.394 0.000 1.047 380 I CB 1.948 40.104 38.000 0.260 0.000 1.237 380 I HN 0.709 nan 8.210 nan 0.000 0.421 381 S N 6.149 122.106 115.700 0.428 0.000 2.616 381 S HA 0.510 4.982 4.470 0.003 0.000 0.277 381 S C -0.980 173.705 174.600 0.142 0.000 1.234 381 S CA -0.356 57.904 58.200 0.100 0.000 1.028 381 S CB 1.541 64.646 63.200 -0.159 0.000 0.988 381 S HN 0.594 nan 8.310 nan 0.000 0.522 382 Y N 1.370 121.564 120.300 -0.176 0.000 2.331 382 Y HA 0.480 5.031 4.550 0.003 0.000 0.326 382 Y C -0.939 174.838 175.900 -0.206 0.000 1.020 382 Y CA -0.711 57.195 58.100 -0.323 0.000 1.136 382 Y CB 1.639 39.723 38.460 -0.626 0.000 1.157 382 Y HN 0.944 nan 8.280 nan 0.000 0.444 383 T N 5.646 119.853 114.554 -0.578 0.000 3.133 383 T HA 0.344 4.696 4.350 0.003 0.000 0.368 383 T C -3.037 171.362 174.700 -0.502 0.000 1.190 383 T CA -1.674 60.126 62.100 -0.501 0.000 1.282 383 T CB 0.901 69.627 68.868 -0.237 0.000 1.042 383 T HN 0.508 nan 8.240 nan 0.000 0.536 384 P HA 0.144 nan 4.420 nan 0.000 0.258 384 P C -0.572 176.792 177.300 0.107 0.000 1.187 384 P CA 0.187 63.147 63.100 -0.233 0.000 0.767 384 P CB 0.333 31.941 31.700 -0.154 0.000 0.770 385 K N 1.569 122.071 120.400 0.169 0.000 2.568 385 K HA 0.332 4.653 4.320 0.003 0.000 0.273 385 K C -0.548 176.044 176.600 -0.014 0.000 0.951 385 K CA -1.000 55.331 56.287 0.073 0.000 0.854 385 K CB 0.803 33.296 32.500 -0.012 0.000 1.424 385 K HN 0.078 nan 8.250 nan 0.000 0.427 386 N N 0.823 119.387 118.700 -0.227 0.000 2.696 386 N HA -0.199 4.543 4.740 0.003 0.000 0.256 386 N C -1.367 174.035 175.510 -0.180 0.000 1.031 386 N CA 1.380 54.294 53.050 -0.226 0.000 0.730 386 N CB -1.530 36.894 38.487 -0.104 0.000 0.894 386 N HN 0.642 nan 8.380 nan 0.000 0.544 387 Y N -1.326 118.928 120.300 -0.077 0.000 2.496 387 Y HA 0.871 5.422 4.550 0.003 0.000 0.331 387 Y C -2.231 173.588 175.900 -0.134 0.000 1.140 387 Y CA -2.663 55.311 58.100 -0.210 0.000 1.166 387 Y CB 0.376 38.571 38.460 -0.440 0.000 1.249 387 Y HN -0.074 nan 8.280 nan 0.000 0.479 388 P HA 0.310 nan 4.420 nan 0.000 0.278 388 P C -1.212 176.140 177.300 0.086 0.000 1.258 388 P CA 0.048 63.180 63.100 0.052 0.000 0.811 388 P CB 2.025 33.755 31.700 0.051 0.000 1.063 389 D N -0.834 119.507 120.400 -0.098 0.000 2.626 389 D HA 0.701 5.343 4.640 0.003 0.000 0.278 389 D C -1.713 174.191 176.300 -0.660 0.000 1.211 389 D CA -0.387 53.485 54.000 -0.214 0.000 0.903 389 D CB 1.876 42.654 40.800 -0.037 0.000 1.408 389 D HN 0.340 nan 8.370 nan 0.000 0.454 390 F N 0.635 120.194 119.950 -0.651 0.000 2.770 390 F HA 0.605 5.134 4.527 0.003 0.000 0.313 390 F C -2.388 173.311 175.800 -0.167 0.000 1.154 390 F CA -0.773 56.893 58.000 -0.557 0.000 0.923 390 F CB 0.560 39.325 39.000 -0.392 0.000 1.301 390 F HN 0.379 nan 8.300 nan 0.000 0.449 391 L N 0.802 121.081 121.223 -1.572 0.000 2.775 391 L HA 0.642 4.984 4.340 0.003 0.000 0.263 391 L C -2.012 174.105 176.870 -1.255 0.000 1.017 391 L CA -0.786 53.376 54.840 -1.130 0.000 0.891 391 L CB 1.841 43.731 42.059 -0.282 0.000 1.482 391 L HN 0.709 nan 8.230 nan 0.000 0.410 392 H N -0.279 118.495 119.070 -0.493 0.000 2.529 392 H HA 0.777 5.334 4.556 0.003 0.000 0.348 392 H C -0.567 174.695 175.328 -0.110 0.000 1.152 392 H CA 0.199 56.133 56.048 -0.192 0.000 1.202 392 H CB 2.307 32.064 29.762 -0.008 0.000 1.562 392 H HN 1.012 nan 8.280 nan 0.000 0.515 393 T N -1.485 113.131 114.554 0.105 0.000 1.559 393 T HA 0.077 4.428 4.350 0.003 0.000 0.177 393 T C 0.776 175.436 174.700 -0.066 0.000 0.688 393 T CA -0.239 61.862 62.100 0.003 0.000 1.094 393 T CB 0.298 69.228 68.868 0.104 0.000 3.358 393 T HN 0.587 nan 8.240 nan 0.000 0.413 394 H N -0.628 118.497 119.070 0.093 0.000 2.575 394 H HA 0.469 5.027 4.556 0.003 0.000 0.267 394 H C -0.542 174.799 175.328 0.021 0.000 0.966 394 H CA -0.002 56.051 56.048 0.009 0.000 1.165 394 H CB 0.062 29.750 29.762 -0.123 0.000 1.433 394 H HN 0.330 nan 8.280 nan 0.000 0.544 395 Y N 0.180 120.617 120.300 0.229 0.000 2.621 395 Y HA 0.309 4.861 4.550 0.003 0.000 0.334 395 Y C 0.107 176.096 175.900 0.148 0.000 1.074 395 Y CA -1.291 56.850 58.100 0.068 0.000 1.149 395 Y CB 1.386 39.796 38.460 -0.083 0.000 1.302 395 Y HN -0.059 nan 8.280 nan 0.000 0.501 396 E N 0.852 121.227 120.200 0.291 0.000 2.174 396 E HA 0.468 4.820 4.350 0.003 0.000 0.282 396 E C -1.460 175.254 176.600 0.191 0.000 0.992 396 E CA -0.538 56.072 56.400 0.349 0.000 0.803 396 E CB 1.533 31.526 29.700 0.488 0.000 1.090 396 E HN 0.202 nan 8.360 nan 0.000 0.396 397 V N 3.034 122.953 119.914 0.008 0.000 2.376 397 V HA 0.280 4.402 4.120 0.003 0.000 0.287 397 V C -0.452 175.683 176.094 0.069 0.000 1.015 397 V CA -0.625 61.721 62.300 0.076 0.000 0.834 397 V CB 1.508 33.385 31.823 0.089 0.000 1.001 397 V HN 0.587 nan 8.190 nan 0.000 0.428 398 S N 5.484 121.194 115.700 0.015 0.000 2.503 398 S HA 0.942 5.414 4.470 0.003 0.000 0.301 398 S C -0.761 173.704 174.600 -0.226 0.000 1.087 398 S CA -0.531 57.403 58.200 -0.443 0.000 1.042 398 S CB 1.449 63.925 63.200 -1.207 0.000 1.043 398 S HN 0.661 nan 8.310 nan 0.000 0.489 399 F N 0.580 120.518 119.950 -0.020 0.000 2.665 399 F HA 0.827 5.355 4.527 0.003 0.000 0.308 399 F C -1.577 174.380 175.800 0.261 0.000 1.112 399 F CA -1.483 56.658 58.000 0.235 0.000 0.972 399 F CB 0.764 39.921 39.000 0.262 0.000 1.295 399 F HN 0.472 nan 8.300 nan 0.000 0.440 400 L N 0.309 121.715 121.223 0.304 0.000 2.518 400 L HA 1.065 5.407 4.340 0.003 0.000 0.257 400 L C 0.031 176.896 176.870 -0.007 0.000 0.980 400 L CA -0.090 54.821 54.840 0.119 0.000 0.837 400 L CB 1.456 43.538 42.059 0.038 0.000 1.410 400 L HN 1.836 nan 8.230 nan 0.000 0.410 401 G N 1.024 109.817 108.800 -0.012 0.000 2.562 401 G HA2 -0.180 3.782 3.960 0.003 0.000 0.250 401 G HA3 -0.180 3.782 3.960 0.003 0.000 0.250 401 G C -0.261 174.668 174.900 0.048 0.000 1.269 401 G CA 0.106 45.188 45.100 -0.030 0.000 0.919 401 G HN 0.923 nan 8.290 nan 0.000 0.574 402 M N 1.334 120.952 119.600 0.030 0.000 2.274 402 M HA 0.521 5.003 4.480 0.003 0.000 0.344 402 M C 1.232 177.648 176.300 0.193 0.000 1.161 402 M CA 0.258 55.596 55.300 0.063 0.000 1.126 402 M CB 1.158 33.737 32.600 -0.036 0.000 1.522 402 M HN 0.945 nan 8.290 nan 0.000 0.461 403 G N 0.391 109.249 108.800 0.097 0.000 2.580 403 G HA2 0.134 4.095 3.960 0.003 0.000 0.278 403 G HA3 0.134 4.095 3.960 0.003 0.000 0.278 403 G C 0.410 175.298 174.900 -0.019 0.000 1.212 403 G CA -0.362 44.714 45.100 -0.040 0.000 0.939 403 G HN 0.938 nan 8.290 nan 0.000 0.513 404 E N -0.422 119.745 120.200 -0.055 0.000 2.031 404 E HA -0.157 4.195 4.350 0.003 0.000 0.193 404 E C 2.142 178.735 176.600 -0.012 0.000 0.994 404 E CA 1.615 58.005 56.400 -0.017 0.000 0.800 404 E CB 0.020 29.715 29.700 -0.010 0.000 0.752 404 E HN 0.564 nan 8.360 nan 0.000 0.447 405 E N 0.769 120.955 120.200 -0.023 0.000 2.110 405 E HA -0.212 4.140 4.350 0.003 0.000 0.193 405 E C 1.879 178.476 176.600 -0.005 0.000 0.988 405 E CA 1.337 57.729 56.400 -0.013 0.000 0.804 405 E CB -0.182 29.504 29.700 -0.023 0.000 0.745 405 E HN 0.388 nan 8.360 nan 0.000 0.458 406 E N 0.583 120.776 120.200 -0.011 0.000 2.058 406 E HA -0.270 4.082 4.350 0.003 0.000 0.194 406 E C 1.994 178.605 176.600 0.017 0.000 0.997 406 E CA 1.335 57.735 56.400 -0.001 0.000 0.801 406 E CB -0.159 29.538 29.700 -0.007 0.000 0.746 406 E HN 0.255 nan 8.360 nan 0.000 0.450 407 A N 1.341 124.165 122.820 0.006 0.000 1.877 407 A HA -0.177 4.145 4.320 0.003 0.000 0.216 407 A C 2.226 179.862 177.584 0.086 0.000 1.186 407 A CA 1.541 53.587 52.037 0.015 0.000 0.620 407 A CB -0.501 18.468 19.000 -0.051 0.000 0.822 407 A HN 0.208 nan 8.150 nan 0.000 0.443 408 R N -0.617 119.914 120.500 0.052 0.000 2.081 408 R HA -0.090 4.251 4.340 0.003 0.000 0.235 408 R C 2.454 178.782 176.300 0.047 0.000 1.131 408 R CA 1.254 57.385 56.100 0.052 0.000 0.960 408 R CB -0.528 29.790 30.300 0.029 0.000 0.856 408 R HN 0.517 nan 8.270 nan 0.000 0.436 409 A N 1.305 124.147 122.820 0.036 0.000 1.969 409 A HA -0.021 4.300 4.320 0.003 0.000 0.218 409 A C 2.114 179.722 177.584 0.039 0.000 1.169 409 A CA 1.462 53.515 52.037 0.027 0.000 0.635 409 A CB -0.302 18.707 19.000 0.016 0.000 0.810 409 A HN 0.360 nan 8.150 nan 0.000 0.445 410 A N -1.496 121.367 122.820 0.072 0.000 2.261 410 A HA 0.411 4.733 4.320 0.003 0.000 0.208 410 A C 1.698 179.328 177.584 0.076 0.000 1.223 410 A CA 1.115 53.209 52.037 0.096 0.000 0.833 410 A CB -1.207 17.889 19.000 0.160 0.000 0.830 410 A HN 1.856 nan 8.150 nan 0.000 0.483 411 G N -1.390 107.434 108.800 0.041 0.000 2.159 411 G HA2 -0.259 3.702 3.960 0.003 0.000 0.256 411 G HA3 -0.259 3.702 3.960 0.003 0.000 0.256 411 G C -0.015 174.839 174.900 -0.077 0.000 0.977 411 G CA 0.454 45.535 45.100 -0.031 0.000 0.652 411 G HN 0.741 nan 8.290 nan 0.000 0.531 412 H N 0.757 119.825 119.070 -0.004 0.000 2.620 412 H HA 0.498 5.055 4.556 0.003 0.000 0.313 412 H C 0.400 175.725 175.328 -0.004 0.000 1.075 412 H CA 0.032 56.077 56.048 -0.005 0.000 1.397 412 H CB 1.083 30.842 29.762 -0.005 0.000 1.446 412 H HN 0.427 nan 8.280 nan 0.000 0.493 413 E N 4.917 125.170 120.200 0.087 0.000 2.290 413 E HA 0.278 4.629 4.350 0.003 0.000 0.277 413 E C -0.604 176.036 176.600 0.067 0.000 1.035 413 E CA -0.394 56.039 56.400 0.054 0.000 0.873 413 E CB 0.383 30.099 29.700 0.027 0.000 1.029 413 E HN 0.636 nan 8.360 nan 0.000 0.419 414 I N 1.314 121.913 120.570 0.048 0.000 3.074 414 I HA 0.670 4.842 4.170 0.003 0.000 0.310 414 I C -0.886 175.242 176.117 0.018 0.000 1.153 414 I CA -1.243 60.078 61.300 0.034 0.000 0.993 414 I CB 1.947 39.964 38.000 0.027 0.000 1.237 414 I HN 0.299 nan 8.210 nan 0.000 0.443 415 V N -0.312 119.607 119.914 0.009 0.000 3.001 415 V HA 0.925 5.047 4.120 0.003 0.000 0.314 415 V C -0.220 175.873 176.094 -0.002 0.000 1.099 415 V CA -0.180 62.123 62.300 0.005 0.000 0.989 415 V CB 1.432 33.257 31.823 0.003 0.000 1.040 415 V HN 1.049 nan 8.190 nan 0.000 0.434 416 T N 0.005 114.560 114.554 0.001 0.000 2.907 416 T HA 0.830 5.181 4.350 0.003 0.000 0.292 416 T C -0.760 173.938 174.700 -0.004 0.000 1.043 416 T CA -0.599 61.499 62.100 -0.004 0.000 1.003 416 T CB 1.850 70.725 68.868 0.013 0.000 1.084 416 T HN 0.779 nan 8.240 nan 0.000 0.483 417 I N 2.363 122.924 120.570 -0.014 0.000 2.468 417 I HA 0.475 4.646 4.170 0.003 0.000 0.285 417 I C -0.240 175.882 176.117 0.008 0.000 1.039 417 I CA -0.787 60.516 61.300 0.006 0.000 1.074 417 I CB 1.681 39.690 38.000 0.014 0.000 1.228 417 I HN 0.843 nan 8.210 nan 0.000 0.436 418 K N 5.301 125.698 120.400 -0.003 0.000 2.318 418 K HA 0.898 5.220 4.320 0.003 0.000 0.265 418 K C -1.486 175.074 176.600 -0.066 0.000 1.055 418 K CA -1.076 55.164 56.287 -0.077 0.000 0.896 418 K CB 2.635 35.017 32.500 -0.197 0.000 1.479 418 K HN 0.312 nan 8.250 nan 0.000 0.449 419 M N 0.858 120.345 119.600 -0.188 0.000 2.322 419 M HA 0.397 4.879 4.480 0.003 0.000 0.285 419 M C -2.913 173.255 176.300 -0.220 0.000 1.119 419 M CA -1.799 53.443 55.300 -0.095 0.000 0.953 419 M CB 2.210 34.846 32.600 0.061 0.000 1.701 419 M HN 0.463 nan 8.290 nan 0.000 0.479 420 P HA 0.398 nan 4.420 nan 0.000 0.274 420 P C -2.727 174.595 177.300 0.037 0.000 1.246 420 P CA -0.689 62.429 63.100 0.031 0.000 0.795 420 P CB -0.282 31.468 31.700 0.085 0.000 1.006 421 P HA 0.113 nan 4.420 nan 0.000 0.276 421 P C -0.756 176.581 177.300 0.062 0.000 1.261 421 P CA -0.061 63.065 63.100 0.042 0.000 0.800 421 P CB 0.502 32.222 31.700 0.033 0.000 1.066 422 D N 0.894 121.329 120.400 0.059 0.000 2.374 422 D HA 0.241 4.882 4.640 0.003 0.000 0.240 422 D C 0.618 176.944 176.300 0.044 0.000 1.229 422 D CA 0.640 54.677 54.000 0.061 0.000 0.895 422 D CB 0.044 40.877 40.800 0.055 0.000 1.046 422 D HN 0.398 nan 8.370 nan 0.000 0.498 423 T N -1.813 112.767 114.554 0.043 0.000 2.787 423 T HA 0.242 4.593 4.350 0.003 0.000 0.297 423 T C 1.067 175.784 174.700 0.030 0.000 1.221 423 T CA -0.861 61.258 62.100 0.032 0.000 1.006 423 T CB 1.506 70.392 68.868 0.030 0.000 1.328 423 T HN 0.253 nan 8.240 nan 0.000 0.509 424 E N 0.705 120.918 120.200 0.022 0.000 2.333 424 E HA -0.158 4.193 4.350 0.003 0.000 0.198 424 E C 1.104 177.715 176.600 0.018 0.000 1.007 424 E CA 1.301 57.711 56.400 0.017 0.000 0.845 424 E CB -0.617 29.090 29.700 0.011 0.000 0.766 424 E HN 0.720 nan 8.360 nan 0.000 0.507 425 N N 0.671 119.386 118.700 0.024 0.000 2.463 425 N HA 0.069 4.811 4.740 0.003 0.000 0.181 425 N C 1.096 176.630 175.510 0.040 0.000 1.078 425 N CA 0.076 53.142 53.050 0.027 0.000 0.902 425 N CB 0.319 38.824 38.487 0.029 0.000 0.970 425 N HN 0.343 nan 8.380 nan 0.000 0.451 426 G N 1.920 110.748 108.800 0.046 0.000 2.652 426 G HA2 -0.367 3.594 3.960 0.003 0.000 0.318 426 G HA3 -0.367 3.594 3.960 0.003 0.000 0.318 426 G C 0.628 175.585 174.900 0.096 0.000 1.295 426 G CA 0.412 45.551 45.100 0.066 0.000 0.999 426 G HN 0.207 nan 8.290 nan 0.000 0.548 427 L N 1.533 122.830 121.223 0.124 0.000 2.552 427 L HA 0.118 4.460 4.340 0.003 0.000 0.227 427 L C 1.360 178.338 176.870 0.179 0.000 1.146 427 L CA 0.396 55.346 54.840 0.183 0.000 0.858 427 L CB -0.333 41.892 42.059 0.277 0.000 0.969 427 L HN 0.349 nan 8.230 nan 0.000 0.451 428 N N 1.544 120.320 118.700 0.127 0.000 2.906 428 N HA 0.080 4.822 4.740 0.003 0.000 0.282 428 N C -0.275 175.289 175.510 0.090 0.000 1.293 428 N CA 0.229 53.350 53.050 0.118 0.000 1.059 428 N CB 0.143 38.667 38.487 0.062 0.000 1.388 428 N HN 0.171 nan 8.380 nan 0.000 0.533 429 V N -4.234 115.737 119.914 0.094 0.000 3.040 429 V HA 0.714 4.835 4.120 0.003 0.000 0.312 429 V C 0.775 176.902 176.094 0.056 0.000 1.115 429 V CA -1.190 61.145 62.300 0.058 0.000 0.998 429 V CB 1.542 33.395 31.823 0.050 0.000 1.042 429 V HN -0.032 nan 8.190 nan 0.000 0.433 430 A N 2.354 125.181 122.820 0.011 0.000 2.250 430 A HA 0.537 4.859 4.320 0.003 0.000 0.208 430 A C 0.387 177.999 177.584 0.047 0.000 1.254 430 A CA 0.495 52.525 52.037 -0.011 0.000 0.858 430 A CB -1.082 17.829 19.000 -0.148 0.000 0.820 430 A HN 0.744 nan 8.150 nan 0.000 0.484 431 L N -0.384 120.881 121.223 0.070 0.000 2.359 431 L HA 0.431 4.773 4.340 0.003 0.000 0.256 431 L C -2.412 174.516 176.870 0.096 0.000 1.026 431 L CA -2.617 52.282 54.840 0.099 0.000 0.828 431 L CB 2.799 44.899 42.059 0.068 0.000 1.406 431 L HN -0.041 nan 8.230 nan 0.000 0.413 432 P HA 0.298 nan 4.420 nan 0.000 0.273 432 P C -1.405 176.047 177.300 0.254 0.000 1.250 432 P CA -0.196 63.055 63.100 0.251 0.000 0.793 432 P CB 1.358 33.129 31.700 0.117 0.000 1.011 433 A N 0.322 123.367 122.820 0.374 0.000 2.577 433 A HA 0.665 4.987 4.320 0.003 0.000 0.297 433 A C -0.567 177.138 177.584 0.201 0.000 1.060 433 A CA -0.051 52.134 52.037 0.246 0.000 0.697 433 A CB 0.794 19.921 19.000 0.211 0.000 1.281 433 A HN 0.790 nan 8.150 nan 0.000 0.402 434 S N 0.268 116.059 115.700 0.152 0.000 2.682 434 S HA 0.414 4.886 4.470 0.003 0.000 0.280 434 S C -1.597 173.060 174.600 0.094 0.000 1.207 434 S CA -0.820 57.422 58.200 0.070 0.000 0.987 434 S CB 0.031 63.261 63.200 0.049 0.000 1.263 434 S HN 0.716 nan 8.310 nan 0.000 0.494 435 D N 1.892 122.329 120.400 0.061 0.000 2.586 435 D HA 0.170 4.811 4.640 0.003 0.000 0.234 435 D C 0.513 176.893 176.300 0.133 0.000 1.132 435 D CA 0.641 54.679 54.000 0.064 0.000 0.860 435 D CB 0.044 40.868 40.800 0.040 0.000 1.159 435 D HN 0.568 nan 8.370 nan 0.000 0.490 436 R N 0.529 121.078 120.500 0.082 0.000 3.840 436 R HA -0.162 4.180 4.340 0.003 0.000 0.464 436 R C 1.079 177.515 176.300 0.226 0.000 0.986 436 R CA 1.575 57.715 56.100 0.066 0.000 1.305 436 R CB -2.745 27.523 30.300 -0.054 0.000 1.950 436 R HN 0.662 nan 8.270 nan 0.000 0.526 437 T N -4.081 110.643 114.554 0.284 0.000 3.111 437 T HA 0.284 4.635 4.350 0.003 0.000 0.284 437 T C 1.518 176.383 174.700 0.276 0.000 0.983 437 T CA -0.379 61.964 62.100 0.405 0.000 0.900 437 T CB 0.148 69.302 68.868 0.476 0.000 1.132 437 T HN -0.152 nan 8.240 nan 0.000 0.531 438 M N 1.294 120.984 119.600 0.150 0.000 2.132 438 M HA 0.238 4.719 4.480 0.003 0.000 0.263 438 M C 2.047 178.438 176.300 0.152 0.000 1.065 438 M CA 1.094 56.487 55.300 0.154 0.000 1.122 438 M CB -1.366 31.240 32.600 0.010 0.000 1.365 438 M HN 0.318 nan 8.290 nan 0.000 0.411 439 L N -1.470 119.722 121.223 -0.053 0.000 2.046 439 L HA -0.243 4.099 4.340 0.003 0.000 0.208 439 L C 2.502 179.474 176.870 0.171 0.000 1.077 439 L CA 1.487 56.210 54.840 -0.195 0.000 0.747 439 L CB -0.839 40.820 42.059 -0.666 0.000 0.896 439 L HN 0.219 nan 8.230 nan 0.000 0.432 440 Y N -0.479 120.034 120.300 0.355 0.000 2.128 440 Y HA -0.304 4.248 4.550 0.002 0.000 0.284 440 Y C 2.692 178.759 175.900 0.279 0.000 1.154 440 Y CA 0.588 58.910 58.100 0.370 0.000 1.149 440 Y CB -0.408 38.221 38.460 0.282 0.000 0.976 440 Y HN 0.191 nan 8.280 nan 0.000 0.505 441 A N -0.295 122.780 122.820 0.425 0.000 1.940 441 A HA -0.186 4.136 4.320 0.003 0.000 0.219 441 A C 1.706 179.380 177.584 0.150 0.000 1.176 441 A CA 1.684 53.889 52.037 0.279 0.000 0.631 441 A CB -0.901 18.282 19.000 0.306 0.000 0.814 441 A HN 0.479 nan 8.150 nan 0.000 0.446 442 F N -0.287 119.754 119.950 0.151 0.000 2.714 442 F HA 0.270 4.799 4.527 0.002 0.000 0.294 442 F C 1.818 177.720 175.800 0.171 0.000 1.120 442 F CA -0.175 57.897 58.000 0.120 0.000 1.398 442 F CB -0.416 38.614 39.000 0.050 0.000 1.120 442 F HN 0.214 nan 8.300 nan 0.000 0.589 443 G N 0.428 109.480 108.800 0.420 0.000 2.664 443 G HA2 0.106 4.068 3.960 0.003 0.000 0.242 443 G HA3 0.106 4.068 3.960 0.003 0.000 0.242 443 G C -0.477 174.617 174.900 0.324 0.000 1.225 443 G CA -0.488 44.910 45.100 0.497 0.000 0.849 443 G HN -0.004 nan 8.290 nan 0.000 0.581 444 K N 0.315 120.886 120.400 0.284 0.000 2.378 444 K HA 0.417 4.738 4.320 0.003 0.000 0.288 444 K C 1.178 177.854 176.600 0.127 0.000 1.057 444 K CA 0.828 57.217 56.287 0.169 0.000 0.971 444 K CB 0.125 32.707 32.500 0.136 0.000 0.975 444 K HN 1.291 nan 8.250 nan 0.000 0.475 445 G N 3.121 111.994 108.800 0.121 0.000 2.168 445 G HA2 -0.315 3.647 3.960 0.003 0.000 0.257 445 G HA3 -0.315 3.647 3.960 0.003 0.000 0.257 445 G C 0.559 175.578 174.900 0.198 0.000 0.997 445 G CA 0.968 46.143 45.100 0.126 0.000 0.708 445 G HN 0.829 nan 8.290 nan 0.000 0.520 446 T N -3.685 110.976 114.554 0.178 0.000 3.044 446 T HA 0.625 4.977 4.350 0.003 0.000 0.260 446 T C 2.265 177.015 174.700 0.084 0.000 1.019 446 T CA 1.163 63.323 62.100 0.101 0.000 0.921 446 T CB 0.545 69.507 68.868 0.157 0.000 1.053 446 T HN 1.275 nan 8.240 nan 0.000 0.533 447 A N 3.211 126.143 122.820 0.186 0.000 1.986 447 A HA -0.224 4.098 4.320 0.003 0.000 0.220 447 A C 2.231 179.907 177.584 0.153 0.000 1.171 447 A CA 1.826 53.963 52.037 0.167 0.000 0.640 447 A CB -1.163 17.919 19.000 0.136 0.000 0.811 447 A HN 0.897 nan 8.150 nan 0.000 0.451 448 H N -1.524 117.610 119.070 0.106 0.000 2.545 448 H HA 0.073 4.631 4.556 0.002 0.000 0.282 448 H C 1.436 176.868 175.328 0.173 0.000 1.020 448 H CA 1.300 57.425 56.048 0.129 0.000 1.243 448 H CB -0.597 29.211 29.762 0.077 0.000 1.377 448 H HN 0.546 nan 8.280 nan 0.000 0.581 449 M N 1.259 120.644 119.600 -0.359 0.000 2.495 449 M HA 0.010 4.491 4.480 0.003 0.000 0.237 449 M C 1.947 178.278 176.300 0.052 0.000 1.131 449 M CA 0.558 55.698 55.300 -0.265 0.000 1.032 449 M CB 0.314 32.490 32.600 -0.706 0.000 1.513 449 M HN 0.300 nan 8.290 nan 0.000 0.488 450 S N -0.334 115.470 115.700 0.172 0.000 2.515 450 S HA 0.282 4.754 4.470 0.003 0.000 0.231 450 S C 1.009 175.703 174.600 0.157 0.000 0.987 450 S CA 0.403 58.767 58.200 0.275 0.000 0.936 450 S CB -0.325 63.021 63.200 0.243 0.000 0.766 450 S HN 0.603 nan 8.310 nan 0.000 0.528 451 G N 0.017 108.829 108.800 0.020 0.000 2.343 451 G HA2 0.286 4.248 3.960 0.003 0.000 0.465 451 G HA3 0.286 4.248 3.960 0.003 0.000 0.465 451 G C -1.457 173.114 174.900 -0.547 0.000 1.282 451 G CA -0.569 44.357 45.100 -0.289 0.000 0.996 451 G HN 0.756 nan 8.290 nan 0.000 0.521 452 F N 0.863 120.308 119.950 -0.842 0.000 2.628 452 F HA 0.743 5.272 4.527 0.003 0.000 0.309 452 F C -0.680 174.868 175.800 -0.421 0.000 1.108 452 F CA -0.045 57.519 58.000 -0.727 0.000 0.971 452 F CB 1.965 40.285 39.000 -1.133 0.000 1.279 452 F HN 1.060 nan 8.300 nan 0.000 0.441 453 Q N 4.594 123.847 119.800 -0.912 0.000 2.522 453 Q HA 0.556 4.897 4.340 0.003 0.000 0.285 453 Q C -2.220 173.579 176.000 -0.334 0.000 0.982 453 Q CA -1.261 54.335 55.803 -0.345 0.000 0.805 453 Q CB 3.199 31.908 28.738 -0.049 0.000 1.457 453 Q HN 0.736 nan 8.270 nan 0.000 0.394 454 K N 1.625 122.085 120.400 0.099 0.000 2.598 454 K HA 0.507 4.828 4.320 0.003 0.000 0.271 454 K C -1.790 174.798 176.600 -0.021 0.000 0.947 454 K CA -0.696 55.609 56.287 0.030 0.000 0.854 454 K CB 1.911 34.409 32.500 -0.002 0.000 1.401 454 K HN 0.814 nan 8.250 nan 0.000 0.415 455 I N 0.292 120.744 120.570 -0.196 0.000 2.569 455 I HA 0.581 4.753 4.170 0.003 0.000 0.296 455 I C -0.827 175.213 176.117 -0.127 0.000 1.028 455 I CA -1.216 59.882 61.300 -0.337 0.000 1.082 455 I CB 2.048 39.671 38.000 -0.629 0.000 1.264 455 I HN 0.128 nan 8.210 nan 0.000 0.429 456 V N 6.421 126.284 119.914 -0.086 0.000 2.435 456 V HA 0.532 4.654 4.120 0.003 0.000 0.290 456 V C 0.023 176.069 176.094 -0.080 0.000 1.030 456 V CA -0.330 61.946 62.300 -0.041 0.000 0.881 456 V CB 1.607 33.437 31.823 0.010 0.000 0.983 456 V HN 0.560 nan 8.190 nan 0.000 0.445 457 I N 3.181 123.716 120.570 -0.058 0.000 2.545 457 I HA 0.369 4.540 4.170 0.003 0.000 0.292 457 I C -0.294 175.809 176.117 -0.023 0.000 1.040 457 I CA -0.571 60.696 61.300 -0.055 0.000 1.068 457 I CB 2.153 40.123 38.000 -0.049 0.000 1.251 457 I HN 0.542 nan 8.210 nan 0.000 0.424 458 D N 4.632 125.025 120.400 -0.012 0.000 2.343 458 D HA 0.157 4.798 4.640 0.003 0.000 0.255 458 D C 0.909 177.227 176.300 0.030 0.000 1.187 458 D CA 0.086 54.111 54.000 0.042 0.000 0.875 458 D CB 1.846 42.699 40.800 0.089 0.000 1.136 458 D HN 0.732 nan 8.370 nan 0.000 0.469 459 A N 5.433 128.273 122.820 0.032 0.000 2.024 459 A HA -0.178 4.144 4.320 0.003 0.000 0.220 459 A C 1.949 179.543 177.584 0.017 0.000 1.164 459 A CA 1.173 53.221 52.037 0.019 0.000 0.643 459 A CB 0.021 19.032 19.000 0.019 0.000 0.806 459 A HN 0.498 nan 8.150 nan 0.000 0.451 460 K N -1.013 119.401 120.400 0.023 0.000 2.141 460 K HA -0.009 4.313 4.320 0.003 0.000 0.202 460 K C 2.174 178.782 176.600 0.015 0.000 1.045 460 K CA 1.686 57.982 56.287 0.015 0.000 0.971 460 K CB -0.969 31.538 32.500 0.012 0.000 0.795 460 K HN 0.641 nan 8.250 nan 0.000 0.459 461 T N -1.346 113.222 114.554 0.023 0.000 3.067 461 T HA 0.063 4.414 4.350 0.003 0.000 0.261 461 T C 0.755 175.462 174.700 0.010 0.000 1.110 461 T CA 0.171 62.282 62.100 0.019 0.000 1.113 461 T CB 0.010 68.895 68.868 0.029 0.000 0.917 461 T HN 0.250 nan 8.240 nan 0.000 0.499 462 R N 0.184 120.689 120.500 0.009 0.000 3.989 462 R HA -0.119 4.223 4.340 0.003 0.000 0.377 462 R C -0.441 175.851 176.300 -0.012 0.000 1.158 462 R CA 0.944 57.043 56.100 -0.002 0.000 1.035 462 R CB -1.891 28.408 30.300 -0.002 0.000 1.557 462 R HN 0.487 nan 8.270 nan 0.000 0.551 463 K N 1.097 121.491 120.400 -0.010 0.000 2.185 463 K HA 0.350 4.672 4.320 0.003 0.000 0.271 463 K C 0.295 176.863 176.600 -0.053 0.000 1.013 463 K CA -0.461 55.810 56.287 -0.027 0.000 0.943 463 K CB 1.423 33.912 32.500 -0.017 0.000 0.998 463 K HN -0.183 nan 8.250 nan 0.000 0.468 464 V N 4.842 124.709 119.914 -0.078 0.000 2.470 464 V HA -0.001 4.121 4.120 0.003 0.000 0.276 464 V C 1.217 177.235 176.094 -0.126 0.000 1.040 464 V CA 0.166 62.395 62.300 -0.119 0.000 1.008 464 V CB 0.413 32.141 31.823 -0.158 0.000 0.990 464 V HN 0.693 nan 8.190 nan 0.000 0.477 465 L N 4.010 125.152 121.223 -0.135 0.000 2.513 465 L HA 0.477 4.818 4.340 0.003 0.000 0.222 465 L C 1.009 177.801 176.870 -0.130 0.000 1.096 465 L CA 0.629 55.377 54.840 -0.153 0.000 0.857 465 L CB 0.213 42.143 42.059 -0.215 0.000 1.026 465 L HN 0.809 nan 8.230 nan 0.000 0.469 466 G N -0.260 108.460 108.800 -0.134 0.000 2.616 466 G HA2 0.642 4.604 3.960 0.003 0.000 0.294 466 G HA3 0.642 4.604 3.960 0.003 0.000 0.294 466 G C -2.044 172.680 174.900 -0.294 0.000 1.489 466 G CA 0.041 45.053 45.100 -0.146 0.000 0.836 466 G HN -0.007 nan 8.290 nan 0.000 0.527 467 A N 1.558 124.071 122.820 -0.511 0.000 2.414 467 A HA 0.946 5.268 4.320 0.003 0.000 0.306 467 A C -1.074 176.259 177.584 -0.418 0.000 1.054 467 A CA -0.748 51.006 52.037 -0.472 0.000 0.724 467 A CB 1.485 20.149 19.000 -0.561 0.000 1.267 467 A HN 0.837 nan 8.150 nan 0.000 0.418 468 H N 1.641 120.985 119.070 0.457 0.000 2.865 468 H HA 0.501 5.059 4.556 0.003 0.000 0.362 468 H C -1.604 174.073 175.328 0.581 0.000 1.114 468 H CA -0.391 55.974 56.048 0.528 0.000 1.208 468 H CB 2.043 32.004 29.762 0.332 0.000 1.727 468 H HN 0.837 nan 8.280 nan 0.000 0.534 469 H N 1.559 120.865 119.070 0.393 0.000 3.029 469 H HA 0.372 4.929 4.556 0.003 0.000 0.358 469 H C -1.895 173.477 175.328 0.072 0.000 1.129 469 H CA -0.458 55.708 56.048 0.197 0.000 1.230 469 H CB 1.954 31.809 29.762 0.156 0.000 1.827 469 H HN 0.374 nan 8.280 nan 0.000 0.530 470 V N 4.736 124.386 119.914 -0.440 0.000 2.483 470 V HA 0.676 4.798 4.120 0.003 0.000 0.297 470 V C 0.533 176.261 176.094 -0.610 0.000 1.027 470 V CA 0.365 62.475 62.300 -0.316 0.000 0.855 470 V CB 1.013 32.720 31.823 -0.193 0.000 0.995 470 V HN 1.072 nan 8.190 nan 0.000 0.424 471 G N 4.047 112.663 108.800 -0.306 0.000 2.579 471 G HA2 0.264 4.225 3.960 0.003 0.000 0.080 471 G HA3 0.264 4.225 3.960 0.003 0.000 0.080 471 G C -1.820 172.902 174.900 -0.297 0.000 1.040 471 G CA -0.306 44.655 45.100 -0.231 0.000 1.118 471 G HN 0.453 nan 8.290 nan 0.000 0.485 472 Y N -0.638 119.927 120.300 0.441 0.000 2.544 472 Y HA 0.515 5.066 4.550 0.003 0.000 0.342 472 Y C 0.878 176.879 175.900 0.169 0.000 1.062 472 Y CA 0.223 58.504 58.100 0.302 0.000 1.023 472 Y CB 2.377 40.991 38.460 0.257 0.000 1.308 472 Y HN 1.942 nan 8.280 nan 0.000 0.457 473 G N 0.217 109.163 108.800 0.244 0.000 2.143 473 G HA2 -0.212 3.749 3.960 0.003 0.000 0.249 473 G HA3 -0.212 3.749 3.960 0.003 0.000 0.249 473 G C 0.507 175.375 174.900 -0.054 0.000 0.981 473 G CA 0.572 45.722 45.100 0.084 0.000 0.665 473 G HN 1.217 nan 8.290 nan 0.000 0.528 474 A N -0.549 122.157 122.820 -0.190 0.000 2.259 474 A HA 0.535 4.856 4.320 0.003 0.000 0.213 474 A C 1.824 179.316 177.584 -0.153 0.000 1.209 474 A CA 1.622 53.478 52.037 -0.302 0.000 0.910 474 A CB -0.081 18.355 19.000 -0.940 0.000 0.946 474 A HN 0.491 nan 8.150 nan 0.000 0.497 475 K N 0.583 120.850 120.400 -0.221 0.000 2.059 475 K HA -0.286 4.036 4.320 0.003 0.000 0.212 475 K C 1.553 178.054 176.600 -0.166 0.000 1.050 475 K CA 2.262 58.365 56.287 -0.306 0.000 0.927 475 K CB -0.284 31.880 32.500 -0.560 0.000 0.714 475 K HN 0.374 nan 8.250 nan 0.000 0.447 476 D N -0.580 119.757 120.400 -0.105 0.000 2.117 476 D HA -0.105 4.536 4.640 0.003 0.000 0.197 476 D C 1.724 178.048 176.300 0.040 0.000 0.987 476 D CA 1.431 55.404 54.000 -0.045 0.000 0.829 476 D CB -0.054 40.764 40.800 0.029 0.000 0.961 476 D HN 0.398 nan 8.370 nan 0.000 0.460 477 A N -0.404 122.490 122.820 0.123 0.000 1.940 477 A HA -0.160 4.162 4.320 0.003 0.000 0.219 477 A C 1.935 179.620 177.584 0.169 0.000 1.176 477 A CA 0.990 53.146 52.037 0.197 0.000 0.631 477 A CB -1.084 17.997 19.000 0.136 0.000 0.814 477 A HN 0.300 nan 8.150 nan 0.000 0.446 478 F N 0.470 120.373 119.950 -0.078 0.000 2.250 478 F HA -0.198 4.331 4.527 0.003 0.000 0.301 478 F C 2.603 178.310 175.800 -0.156 0.000 1.077 478 F CA 1.602 59.552 58.000 -0.083 0.000 1.348 478 F CB -0.519 38.425 39.000 -0.093 0.000 1.040 478 F HN 0.371 nan 8.300 nan 0.000 0.509 479 Q N -1.384 118.342 119.800 -0.124 0.000 2.084 479 Q HA -0.216 4.125 4.340 0.003 0.000 0.202 479 Q C 1.956 177.726 176.000 -0.383 0.000 0.978 479 Q CA 2.089 57.674 55.803 -0.363 0.000 0.844 479 Q CB -0.431 27.896 28.738 -0.684 0.000 0.898 479 Q HN 0.502 nan 8.270 nan 0.000 0.426 480 Y N -0.383 119.909 120.300 -0.013 0.000 2.314 480 Y HA -0.088 4.464 4.550 0.003 0.000 0.294 480 Y C 2.052 177.924 175.900 -0.048 0.000 1.119 480 Y CA 0.048 58.133 58.100 -0.024 0.000 1.179 480 Y CB -0.084 38.367 38.460 -0.015 0.000 1.025 480 Y HN 0.089 nan 8.280 nan 0.000 0.541 481 L N 1.026 122.275 121.223 0.044 0.000 2.083 481 L HA -0.222 4.120 4.340 0.003 0.000 0.209 481 L C 1.841 178.648 176.870 -0.105 0.000 1.083 481 L CA 1.817 56.621 54.840 -0.060 0.000 0.752 481 L CB -0.935 41.008 42.059 -0.194 0.000 0.899 481 L HN 0.174 nan 8.230 nan 0.000 0.433 482 N N -0.931 117.698 118.700 -0.119 0.000 2.120 482 N HA -0.172 4.569 4.740 0.003 0.000 0.188 482 N C 1.748 177.221 175.510 -0.063 0.000 1.024 482 N CA 1.696 54.681 53.050 -0.108 0.000 0.852 482 N CB -0.205 38.224 38.487 -0.097 0.000 1.003 482 N HN 0.254 nan 8.380 nan 0.000 0.424 483 V N 0.908 120.803 119.914 -0.030 0.000 2.287 483 V HA -0.227 3.895 4.120 0.003 0.000 0.248 483 V C 2.327 178.422 176.094 0.001 0.000 1.053 483 V CA 1.446 63.747 62.300 0.001 0.000 1.027 483 V CB -0.633 31.217 31.823 0.044 0.000 0.646 483 V HN 0.347 nan 8.190 nan 0.000 0.447 484 L N -0.719 120.505 121.223 0.002 0.000 2.042 484 L HA -0.202 4.140 4.340 0.003 0.000 0.210 484 L C 2.373 179.226 176.870 -0.028 0.000 1.076 484 L CA 1.731 56.567 54.840 -0.006 0.000 0.749 484 L CB -0.520 41.537 42.059 -0.003 0.000 0.893 484 L HN 0.272 nan 8.230 nan 0.000 0.432 485 I N -0.338 120.199 120.570 -0.054 0.000 2.361 485 I HA -0.279 3.893 4.170 0.003 0.000 0.251 485 I C 2.407 178.494 176.117 -0.050 0.000 1.133 485 I CA 1.310 62.568 61.300 -0.070 0.000 1.413 485 I CB -0.216 37.717 38.000 -0.111 0.000 1.073 485 I HN 0.206 nan 8.210 nan 0.000 0.424 486 K N 0.370 120.746 120.400 -0.039 0.000 2.211 486 K HA -0.142 4.180 4.320 0.003 0.000 0.203 486 K C 1.915 178.509 176.600 -0.011 0.000 1.050 486 K CA 0.910 57.182 56.287 -0.025 0.000 0.945 486 K CB -0.032 32.458 32.500 -0.016 0.000 0.732 486 K HN 0.399 nan 8.250 nan 0.000 0.451 487 Q N -0.650 119.146 119.800 -0.007 0.000 2.472 487 Q HA 0.016 4.358 4.340 0.003 0.000 0.208 487 Q C 0.487 176.485 176.000 -0.003 0.000 0.958 487 Q CA 0.632 56.435 55.803 0.001 0.000 0.932 487 Q CB 0.670 29.411 28.738 0.005 0.000 1.007 487 Q HN 0.499 nan 8.270 nan 0.000 0.508 488 G N 1.094 109.886 108.800 -0.012 0.000 2.151 488 G HA2 -0.198 3.763 3.960 0.003 0.000 0.156 488 G HA3 -0.198 3.763 3.960 0.003 0.000 0.156 488 G C -0.401 174.489 174.900 -0.017 0.000 1.017 488 G CA -0.503 44.590 45.100 -0.012 0.000 0.686 488 G HN 0.217 nan 8.290 nan 0.000 0.503 489 L N 2.725 123.932 121.223 -0.026 0.000 2.601 489 L HA 0.521 4.862 4.340 0.003 0.000 0.277 489 L C 1.227 178.077 176.870 -0.034 0.000 1.219 489 L CA 1.338 56.160 54.840 -0.030 0.000 0.915 489 L CB 0.336 42.369 42.059 -0.043 0.000 1.160 489 L HN 0.574 nan 8.230 nan 0.000 0.494 490 T N 1.140 115.680 114.554 -0.024 0.000 2.948 490 T HA 0.295 4.647 4.350 0.003 0.000 0.285 490 T C 0.971 175.657 174.700 -0.023 0.000 1.019 490 T CA -0.170 61.916 62.100 -0.023 0.000 1.013 490 T CB 1.331 70.192 68.868 -0.012 0.000 1.117 490 T HN 0.396 nan 8.240 nan 0.000 0.533 491 V N 0.836 120.737 119.914 -0.022 0.000 2.490 491 V HA -0.128 3.994 4.120 0.003 0.000 0.250 491 V C 1.760 177.852 176.094 -0.004 0.000 1.061 491 V CA 2.490 64.780 62.300 -0.017 0.000 1.064 491 V CB -1.146 30.667 31.823 -0.016 0.000 0.670 491 V HN 0.960 nan 8.190 nan 0.000 0.461 492 D N -0.364 120.034 120.400 -0.003 0.000 2.117 492 D HA -0.169 4.473 4.640 0.003 0.000 0.198 492 D C 2.115 178.417 176.300 0.003 0.000 0.982 492 D CA 1.574 55.575 54.000 0.001 0.000 0.828 492 D CB -0.110 40.690 40.800 0.000 0.000 0.967 492 D HN 0.599 nan 8.370 nan 0.000 0.464 493 E N 0.021 120.221 120.200 0.000 0.000 2.107 493 E HA -0.112 4.239 4.350 0.003 0.000 0.191 493 E C 1.822 178.427 176.600 0.008 0.000 0.982 493 E CA 0.249 56.650 56.400 0.002 0.000 0.809 493 E CB 0.009 29.709 29.700 -0.002 0.000 0.756 493 E HN 0.135 nan 8.360 nan 0.000 0.459 494 L N 0.898 122.125 121.223 0.008 0.000 2.017 494 L HA -0.032 4.309 4.340 0.003 0.000 0.208 494 L C 2.241 179.132 176.870 0.036 0.000 1.073 494 L CA 2.143 56.997 54.840 0.024 0.000 0.745 494 L CB -1.030 41.041 42.059 0.019 0.000 0.894 494 L HN 0.111 nan 8.230 nan 0.000 0.432 495 G N -1.592 107.225 108.800 0.028 0.000 2.448 495 G HA2 -0.306 3.656 3.960 0.003 0.000 0.219 495 G HA3 -0.306 3.656 3.960 0.003 0.000 0.219 495 G C 1.183 176.096 174.900 0.021 0.000 1.127 495 G CA 0.856 45.973 45.100 0.028 0.000 0.766 495 G HN 0.453 nan 8.290 nan 0.000 0.552 496 D N -0.365 120.044 120.400 0.015 0.000 2.340 496 D HA 0.158 4.799 4.640 0.003 0.000 0.220 496 D C 1.495 177.803 176.300 0.013 0.000 1.039 496 D CA -0.166 53.841 54.000 0.011 0.000 0.866 496 D CB -0.050 40.754 40.800 0.007 0.000 0.913 496 D HN 0.229 nan 8.370 nan 0.000 0.523 497 M N -0.092 119.519 119.600 0.020 0.000 2.159 497 M HA 0.168 4.649 4.480 0.003 0.000 0.293 497 M C -0.127 176.186 176.300 0.023 0.000 1.186 497 M CA -0.137 55.175 55.300 0.021 0.000 1.073 497 M CB 0.644 33.261 32.600 0.028 0.000 1.419 497 M HN -0.186 nan 8.290 nan 0.000 0.490 498 D N 2.025 122.438 120.400 0.021 0.000 2.329 498 D HA 0.149 4.791 4.640 0.003 0.000 0.232 498 D C -0.299 176.025 176.300 0.039 0.000 1.088 498 D CA -0.225 53.789 54.000 0.024 0.000 0.835 498 D CB 0.801 41.611 40.800 0.016 0.000 1.078 498 D HN 0.420 nan 8.370 nan 0.000 0.495 499 E N 2.179 122.413 120.200 0.057 0.000 2.345 499 E HA 0.245 4.597 4.350 0.003 0.000 0.259 499 E C -0.512 176.149 176.600 0.100 0.000 1.117 499 E CA -0.557 55.897 56.400 0.089 0.000 0.913 499 E CB 1.461 31.240 29.700 0.132 0.000 1.057 499 E HN 0.351 nan 8.360 nan 0.000 0.432 500 L N 2.542 123.833 121.223 0.113 0.000 2.387 500 L HA 0.308 4.649 4.340 0.003 0.000 0.259 500 L C -0.455 176.509 176.870 0.157 0.000 1.050 500 L CA -0.801 54.103 54.840 0.106 0.000 0.922 500 L CB 0.170 42.261 42.059 0.055 0.000 1.280 500 L HN 0.439 nan 8.230 nan 0.000 0.449 501 F N 2.486 122.457 119.950 0.035 0.000 2.471 501 F HA 0.265 4.794 4.527 0.003 0.000 0.353 501 F C 0.093 175.920 175.800 0.045 0.000 1.113 501 F CA -0.109 57.920 58.000 0.048 0.000 1.262 501 F CB 0.790 39.810 39.000 0.033 0.000 1.146 501 F HN 0.145 nan 8.300 nan 0.000 0.578 502 L N 5.693 126.655 121.223 -0.435 0.000 2.331 502 L HA 0.194 4.536 4.340 0.003 0.000 0.278 502 L C -0.469 176.231 176.870 -0.283 0.000 1.106 502 L CA -0.222 54.025 54.840 -0.988 0.000 0.824 502 L CB 0.469 42.042 42.059 -0.810 0.000 1.142 502 L HN 0.572 nan 8.230 nan 0.000 0.443 503 N N 3.404 122.061 118.700 -0.071 0.000 2.430 503 N HA 0.434 5.176 4.740 0.003 0.000 0.292 503 N C -2.396 173.076 175.510 -0.063 0.000 1.051 503 N CA -2.392 50.668 53.050 0.016 0.000 0.917 503 N CB 0.838 39.377 38.487 0.086 0.000 1.164 503 N HN 0.133 nan 8.380 nan 0.000 0.484 504 P HA -0.150 nan 4.420 nan 0.000 0.216 504 P C -0.005 177.106 177.300 -0.314 0.000 1.154 504 P CA 1.995 65.027 63.100 -0.114 0.000 0.865 504 P CB -0.008 31.633 31.700 -0.099 0.000 0.789 505 T N -3.153 111.150 114.554 -0.419 0.000 2.767 505 T HA 0.249 4.601 4.350 0.003 0.000 0.284 505 T C 0.432 174.807 174.700 -0.541 0.000 0.973 505 T CA -0.571 61.075 62.100 -0.757 0.000 0.996 505 T CB 0.518 68.752 68.868 -1.058 0.000 0.927 505 T HN 0.131 nan 8.240 nan 0.000 0.456 506 H N 2.438 121.317 119.070 -0.319 0.000 2.529 506 H HA 0.202 4.760 4.556 0.004 0.000 0.277 506 H C 0.894 176.280 175.328 0.096 0.000 1.004 506 H CA -0.847 55.186 56.048 -0.025 0.000 1.167 506 H CB -0.207 29.595 29.762 0.067 0.000 1.445 506 H HN 0.581 nan 8.280 nan 0.000 0.554 507 F N 1.041 121.069 119.950 0.131 0.000 2.115 507 F HA -0.221 4.307 4.527 0.002 0.000 0.300 507 F C 2.337 178.171 175.800 0.056 0.000 1.092 507 F CA 0.579 58.618 58.000 0.065 0.000 1.245 507 F CB -1.177 37.828 39.000 0.007 0.000 0.995 507 F HN 0.157 nan 8.300 nan 0.000 0.481 508 I N 0.170 120.886 120.570 0.244 0.000 2.113 508 I HA -0.306 3.866 4.170 0.003 0.000 0.238 508 I C 2.796 178.981 176.117 0.114 0.000 1.070 508 I CA 1.797 63.186 61.300 0.148 0.000 1.332 508 I CB -0.700 37.368 38.000 0.112 0.000 1.044 508 I HN 0.202 nan 8.210 nan 0.000 0.402 509 Q N 1.270 121.139 119.800 0.115 0.000 2.167 509 Q HA -0.154 4.187 4.340 0.003 0.000 0.202 509 Q C 2.153 178.191 176.000 0.064 0.000 0.970 509 Q CA 1.564 57.405 55.803 0.062 0.000 0.855 509 Q CB -0.679 28.072 28.738 0.021 0.000 0.911 509 Q HN 0.533 nan 8.270 nan 0.000 0.438 510 L N 1.132 122.423 121.223 0.114 0.000 2.093 510 L HA -0.113 4.229 4.340 0.003 0.000 0.208 510 L C 2.594 179.509 176.870 0.074 0.000 1.085 510 L CA 1.199 56.099 54.840 0.099 0.000 0.755 510 L CB -0.446 41.707 42.059 0.157 0.000 0.904 510 L HN 0.191 nan 8.230 nan 0.000 0.435 511 S N -0.423 115.328 115.700 0.084 0.000 2.356 511 S HA -0.203 4.268 4.470 0.003 0.000 0.223 511 S C 2.062 176.680 174.600 0.031 0.000 1.032 511 S CA 1.184 59.413 58.200 0.049 0.000 1.005 511 S CB -0.269 62.959 63.200 0.047 0.000 0.867 511 S HN 0.326 nan 8.310 nan 0.000 0.449 512 R N 0.839 121.359 120.500 0.033 0.000 2.127 512 R HA -0.036 4.306 4.340 0.003 0.000 0.238 512 R C 1.968 178.274 176.300 0.009 0.000 1.134 512 R CA 1.055 57.165 56.100 0.017 0.000 0.975 512 R CB -0.361 29.946 30.300 0.012 0.000 0.865 512 R HN 0.376 nan 8.270 nan 0.000 0.447 513 L N -0.091 121.138 121.223 0.011 0.000 2.275 513 L HA -0.112 4.230 4.340 0.003 0.000 0.215 513 L C 2.140 179.014 176.870 0.006 0.000 1.119 513 L CA 0.896 55.738 54.840 0.005 0.000 0.790 513 L CB -0.125 41.937 42.059 0.006 0.000 0.919 513 L HN 0.109 nan 8.230 nan 0.000 0.443 514 R N -0.821 119.685 120.500 0.010 0.000 2.344 514 R HA 0.251 4.593 4.340 0.003 0.000 0.209 514 R C 2.023 178.326 176.300 0.005 0.000 0.886 514 R CA 0.780 56.885 56.100 0.008 0.000 1.040 514 R CB -0.183 30.122 30.300 0.009 0.000 1.114 514 R HN 0.136 nan 8.270 nan 0.000 0.547 515 A N 0.713 123.537 122.820 0.006 0.000 2.125 515 A HA -0.028 4.294 4.320 0.003 0.000 0.219 515 A C 2.028 179.613 177.584 0.002 0.000 1.156 515 A CA 1.587 53.626 52.037 0.004 0.000 0.671 515 A CB -0.714 18.289 19.000 0.005 0.000 0.794 515 A HN 0.328 nan 8.150 nan 0.000 0.459 516 G N -0.853 107.948 108.800 0.002 0.000 2.598 516 G HA2 0.167 4.128 3.960 0.003 0.000 0.215 516 G HA3 0.167 4.128 3.960 0.003 0.000 0.215 516 G C 0.635 175.535 174.900 0.001 0.000 1.131 516 G CA 0.730 45.830 45.100 0.001 0.000 0.785 516 G HN 0.441 nan 8.290 nan 0.000 0.539 517 S N 0.073 115.774 115.700 0.001 0.000 2.541 517 S HA 0.361 4.833 4.470 0.003 0.000 0.283 517 S C 0.842 175.443 174.600 0.002 0.000 1.196 517 S CA -0.797 57.404 58.200 0.002 0.000 1.062 517 S CB 1.994 65.196 63.200 0.002 0.000 1.009 517 S HN 0.056 nan 8.310 nan 0.000 0.502 518 K N 1.578 121.979 120.400 0.002 0.000 2.155 518 K HA 0.060 4.382 4.320 0.003 0.000 0.203 518 K C -0.104 176.497 176.600 0.002 0.000 1.052 518 K CA 0.811 57.099 56.287 0.002 0.000 0.948 518 K CB -0.130 32.371 32.500 0.001 0.000 0.728 518 K HN 0.465 nan 8.250 nan 0.000 0.448 519 N N 1.742 120.444 118.700 0.003 0.000 2.501 519 N HA 0.189 4.930 4.740 0.003 0.000 0.245 519 N C -0.348 175.164 175.510 0.004 0.000 0.974 519 N CA -0.176 52.876 53.050 0.003 0.000 0.941 519 N CB 1.341 39.830 38.487 0.003 0.000 1.122 519 N HN -0.006 nan 8.380 nan 0.000 0.507 520 L N 1.888 123.114 121.223 0.004 0.000 2.485 520 L HA 0.193 4.534 4.340 0.003 0.000 0.275 520 L C 0.196 177.069 176.870 0.005 0.000 1.207 520 L CA -0.101 54.742 54.840 0.004 0.000 0.855 520 L CB 0.436 42.497 42.059 0.003 0.000 1.114 520 L HN 0.061 nan 8.230 nan 0.000 0.485 521 V N 1.865 121.782 119.914 0.005 0.000 2.604 521 V HA 0.285 4.406 4.120 0.003 0.000 0.305 521 V C 0.183 176.282 176.094 0.008 0.000 1.043 521 V CA -0.690 61.614 62.300 0.007 0.000 0.888 521 V CB 1.892 33.719 31.823 0.007 0.000 0.995 521 V HN 0.808 nan 8.190 nan 0.000 0.429 522 S N 3.220 118.925 115.700 0.009 0.000 2.579 522 S HA 0.521 4.993 4.470 0.003 0.000 0.275 522 S C -0.244 174.364 174.600 0.013 0.000 1.345 522 S CA -0.032 58.174 58.200 0.011 0.000 1.031 522 S CB 0.858 64.067 63.200 0.013 0.000 0.892 522 S HN 0.532 nan 8.310 nan 0.000 0.529 523 L N 0.000 121.232 121.223 0.015 0.000 2.949 523 L HA 0.000 4.342 4.340 0.003 0.000 0.249 523 L CA 0.000 54.851 54.840 0.019 0.000 0.813 523 L CB 0.000 42.073 42.059 0.023 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502