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 2bma_1_D DATA FIRST_RESID -22 DATA SEQUENCE LKDKTGRFVV LDKNASNYES LVXDQEMNNV YERVMKLDPN QVEFLQAFHE DATA SEQUENCE ILYSLKPLFM EEPKYXXLPI IETLSEPERA IQFRVCWLDD NGVQRKNRCF DATA SEQUENCE RVQYNSALGP YKGGLRFHPS VNLSIVKFLG FEQIFKNSLT GLSMGGGKGG DATA SEQUENCE SDFDPKGKSD NEILKFCQAF MNELYRHIGP CTDVPAGDIG VGGREIGYLY DATA SEQUENCE GQYKKIVNSF NGTLTGKXNV KWGGSNLRVE ATGYGLVYFV LEVLKSLNIP DATA SEQUENCE VEKQTAVVSG SGNVALYCVQ KLLHLNVKVL TLSDSNGYVY EPNGFTHENL DATA SEQUENCE EFLIDLKEEK KGRIKEYLNH SSTAKYFPNE KPWGVPCTLA FPCATQNDVD DATA SEQUENCE LDQAKLLQKN GCILVGEGAN MPSTVDAINL FKSNXNIIYC PSKAANAGGV DATA SEQUENCE AISGLEMSQN FQFSHWTRET VDEKLKEIMR NIFIACSENL KYTKNKYDLQ DATA SEQUENCE AGANIAGFLK VAESYIEQGC F 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 -22 L HA 0.000 nan 4.340 nan 0.000 0.249 -22 L C 0.000 176.895 176.870 0.042 0.000 1.165 -22 L CA 0.000 54.860 54.840 0.033 0.000 0.813 -22 L CB 0.000 42.074 42.059 0.024 0.000 0.961 -21 K N 1.002 121.426 120.400 0.040 0.000 2.502 -21 K HA 0.300 4.620 4.320 -0.000 0.000 0.257 -21 K C -1.245 175.389 176.600 0.056 0.000 0.938 -21 K CA -0.746 55.573 56.287 0.053 0.000 0.819 -21 K CB 2.149 34.668 32.500 0.032 0.000 1.333 -21 K HN 0.056 nan 8.250 nan 0.000 0.434 -20 D N 1.498 121.952 120.400 0.089 0.000 2.314 -20 D HA -0.030 4.610 4.640 -0.000 0.000 0.252 -20 D C 0.349 176.686 176.300 0.061 0.000 1.295 -20 D CA 0.068 54.114 54.000 0.076 0.000 0.995 -20 D CB 0.637 41.505 40.800 0.114 0.000 1.125 -20 D HN 0.427 nan 8.370 nan 0.000 0.537 -19 K N -1.332 119.100 120.400 0.053 0.000 2.148 -19 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 -19 K C 2.031 178.658 176.600 0.046 0.000 1.050 -19 K CA 1.237 57.548 56.287 0.041 0.000 0.942 -19 K CB -0.277 32.244 32.500 0.035 0.000 0.724 -19 K HN 0.374 nan 8.250 nan 0.000 0.446 -18 T N -0.935 113.663 114.554 0.074 0.000 3.055 -18 T HA 0.034 4.384 4.350 -0.000 0.000 0.265 -18 T C 1.370 176.080 174.700 0.015 0.000 1.111 -18 T CA 1.105 63.240 62.100 0.059 0.000 1.118 -18 T CB -0.195 68.742 68.868 0.115 0.000 0.909 -18 T HN 0.549 nan 8.240 nan 0.000 0.501 -17 G N 1.233 110.046 108.800 0.022 0.000 2.267 -17 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 -17 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 -17 G C 1.106 175.951 174.900 -0.091 0.000 0.998 -17 G CA 0.602 45.691 45.100 -0.017 0.000 0.620 -17 G HN 0.526 nan 8.290 nan 0.000 0.529 -16 R N -0.709 119.677 120.500 -0.190 0.000 2.276 -16 R HA 0.300 4.640 4.340 -0.000 0.000 0.203 -16 R C -0.022 175.781 176.300 -0.828 0.000 1.017 -16 R CA 0.609 56.403 56.100 -0.511 0.000 1.010 -16 R CB 0.023 29.911 30.300 -0.686 0.000 0.900 -16 R HN 0.409 nan 8.270 nan 0.000 0.469 -15 F N -0.591 119.370 119.950 0.018 0.000 2.547 -15 F HA 0.281 4.808 4.527 -0.000 0.000 0.316 -15 F C -0.035 175.776 175.800 0.017 0.000 1.121 -15 F CA -1.219 56.795 58.000 0.025 0.000 0.911 -15 F CB 1.631 40.647 39.000 0.027 0.000 1.179 -15 F HN -0.393 nan 8.300 nan 0.000 0.443 -14 V N 4.827 124.854 119.914 0.189 0.000 2.470 -14 V HA 0.186 4.306 4.120 -0.000 0.000 0.276 -14 V C 0.239 176.403 176.094 0.116 0.000 1.040 -14 V CA -0.446 61.924 62.300 0.117 0.000 1.008 -14 V CB 0.936 32.809 31.823 0.084 0.000 0.990 -14 V HN 0.538 nan 8.190 nan 0.000 0.477 -13 V N 6.197 126.166 119.914 0.091 0.000 3.264 -13 V HA 0.208 4.328 4.120 -0.000 0.000 0.304 -13 V C 0.316 176.468 176.094 0.097 0.000 1.086 -13 V CA -0.473 61.877 62.300 0.085 0.000 1.090 -13 V CB 1.343 33.203 31.823 0.061 0.000 1.112 -13 V HN 0.635 nan 8.190 nan 0.000 0.472 -12 L N 2.189 123.495 121.223 0.139 0.000 2.892 -12 L HA 0.393 4.733 4.340 -0.000 0.000 0.251 -12 L C 0.250 177.275 176.870 0.259 0.000 1.339 -12 L CA -0.075 54.877 54.840 0.187 0.000 0.900 -12 L CB -0.341 41.835 42.059 0.195 0.000 1.246 -12 L HN 0.751 nan 8.230 nan 0.000 0.524 -11 D N 1.518 121.987 120.400 0.114 0.000 8.243 -11 D HA -0.286 4.354 4.640 -0.000 0.000 0.131 -11 D C 1.145 177.361 176.300 -0.140 0.000 1.185 -11 D CA 0.747 54.756 54.000 0.015 0.000 0.889 -11 D CB 0.628 41.443 40.800 0.025 0.000 1.714 -11 D HN 0.501 nan 8.370 nan 0.000 0.978 -10 K N 2.832 122.952 120.400 -0.466 0.000 2.504 -10 K HA -0.088 4.232 4.320 -0.000 0.000 0.195 -10 K C 1.349 177.512 176.600 -0.728 0.000 1.036 -10 K CA 0.731 56.220 56.287 -1.329 0.000 0.984 -10 K CB 0.114 32.076 32.500 -0.897 0.000 0.788 -10 K HN 0.461 nan 8.250 nan 0.000 0.488 -9 N N -0.136 118.372 118.700 -0.320 0.000 2.214 -9 N HA 0.046 4.786 4.740 -0.000 0.000 0.214 -9 N C -0.092 175.375 175.510 -0.072 0.000 1.132 -9 N CA -0.179 52.773 53.050 -0.163 0.000 0.856 -9 N CB 0.525 38.949 38.487 -0.104 0.000 1.020 -9 N HN -0.009 nan 8.380 nan 0.000 0.509 -8 A N 1.171 123.965 122.820 -0.042 0.000 2.327 -8 A HA 0.323 4.643 4.320 -0.000 0.000 0.255 -8 A C 1.450 179.071 177.584 0.061 0.000 1.099 -8 A CA 0.093 52.152 52.037 0.037 0.000 0.801 -8 A CB 0.361 19.418 19.000 0.096 0.000 1.062 -8 A HN 0.385 nan 8.150 nan 0.000 0.496 -7 S N 0.172 115.907 115.700 0.059 0.000 2.406 -7 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 -7 S C 0.704 175.351 174.600 0.080 0.000 1.020 -7 S CA 0.992 59.227 58.200 0.058 0.000 0.965 -7 S CB -0.335 62.889 63.200 0.040 0.000 0.798 -7 S HN 0.876 nan 8.310 nan 0.000 0.488 -6 N N 0.188 118.945 118.700 0.094 0.000 2.535 -6 N HA 0.095 4.834 4.740 -0.000 0.000 0.294 -6 N C 0.341 175.926 175.510 0.125 0.000 1.408 -6 N CA -0.650 52.454 53.050 0.089 0.000 0.927 -6 N CB -0.502 38.019 38.487 0.057 0.000 1.276 -6 N HN 0.323 nan 8.380 nan 0.000 0.505 -5 Y N 1.996 122.309 120.300 0.023 0.000 2.030 -5 Y HA -0.273 4.277 4.550 -0.000 0.000 0.274 -5 Y C 2.302 178.221 175.900 0.031 0.000 1.153 -5 Y CA 2.391 60.507 58.100 0.027 0.000 1.115 -5 Y CB -0.299 38.178 38.460 0.029 0.000 0.969 -5 Y HN 0.360 nan 8.280 nan 0.000 0.488 -4 E N -0.467 119.662 120.200 -0.118 0.000 2.114 -4 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 -4 E C 2.256 178.771 176.600 -0.142 0.000 1.008 -4 E CA 2.112 58.396 56.400 -0.193 0.000 0.810 -4 E CB -0.360 29.314 29.700 -0.044 0.000 0.739 -4 E HN 0.483 nan 8.360 nan 0.000 0.456 -3 S N -0.144 115.519 115.700 -0.062 0.000 2.383 -3 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 -3 S C 1.835 176.405 174.600 -0.050 0.000 1.026 -3 S CA 0.916 59.095 58.200 -0.035 0.000 0.981 -3 S CB -0.193 63.006 63.200 -0.001 0.000 0.818 -3 S HN 0.263 nan 8.310 nan 0.000 0.472 -2 L N 1.203 122.388 121.223 -0.063 0.000 2.017 -2 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 -2 L C 1.279 178.085 176.870 -0.108 0.000 1.073 -2 L CA 0.576 55.385 54.840 -0.051 0.000 0.745 -2 L CB -0.810 41.255 42.059 0.009 0.000 0.894 -2 L HN 0.146 nan 8.230 nan 0.000 0.432 2 Q N 1.534 121.328 119.800 -0.010 0.000 2.170 2 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 2 Q C 1.745 177.741 176.000 -0.007 0.000 0.976 2 Q CA 1.937 57.745 55.803 0.008 0.000 0.858 2 Q CB 0.104 28.845 28.738 0.006 0.000 0.907 2 Q HN 0.141 nan 8.270 nan 0.000 0.433 3 E N -0.424 119.748 120.200 -0.047 0.000 2.046 3 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 3 E C 1.768 178.304 176.600 -0.107 0.000 0.982 3 E CA 1.385 57.745 56.400 -0.066 0.000 0.800 3 E CB -0.217 29.430 29.700 -0.088 0.000 0.756 3 E HN 0.449 nan 8.360 nan 0.000 0.449 4 M N 0.468 119.962 119.600 -0.178 0.000 2.144 4 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 4 M C 2.178 178.403 176.300 -0.124 0.000 1.067 4 M CA 1.402 56.518 55.300 -0.307 0.000 1.095 4 M CB -0.386 31.934 32.600 -0.466 0.000 1.365 4 M HN 0.166 nan 8.290 nan 0.000 0.406 5 N N 0.684 119.405 118.700 0.035 0.000 2.142 5 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 5 N C 1.083 176.679 175.510 0.144 0.000 1.023 5 N CA 1.336 54.493 53.050 0.178 0.000 0.852 5 N CB -0.236 38.344 38.487 0.156 0.000 0.998 5 N HN 0.521 nan 8.380 nan 0.000 0.424 6 N N -0.229 118.509 118.700 0.064 0.000 2.244 6 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 6 N C 1.796 177.332 175.510 0.043 0.000 1.016 6 N CA 0.603 53.679 53.050 0.044 0.000 0.866 6 N CB 0.217 38.715 38.487 0.018 0.000 0.980 6 N HN -0.015 nan 8.380 nan 0.000 0.430 7 V N 0.462 120.400 119.914 0.039 0.000 2.343 7 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 7 V C 1.861 178.056 176.094 0.168 0.000 1.051 7 V CA 1.482 63.823 62.300 0.068 0.000 1.036 7 V CB -0.638 31.192 31.823 0.012 0.000 0.654 7 V HN 0.369 nan 8.190 nan 0.000 0.451 8 Y N 0.984 121.358 120.300 0.123 0.000 2.263 8 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 8 Y C 2.575 178.558 175.900 0.138 0.000 1.130 8 Y CA 1.433 59.668 58.100 0.225 0.000 1.179 8 Y CB -0.086 38.534 38.460 0.266 0.000 0.998 8 Y HN 0.231 nan 8.280 nan 0.000 0.532 9 E N 0.328 120.503 120.200 -0.041 0.000 2.110 9 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 9 E C 2.263 178.776 176.600 -0.146 0.000 0.988 9 E CA 1.209 57.541 56.400 -0.113 0.000 0.804 9 E CB -0.215 29.489 29.700 0.005 0.000 0.745 9 E HN 0.549 nan 8.360 nan 0.000 0.458 10 R N 0.180 120.623 120.500 -0.096 0.000 2.090 10 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 10 R C 2.517 178.734 176.300 -0.137 0.000 1.110 10 R CA 0.685 56.733 56.100 -0.086 0.000 0.973 10 R CB -0.257 30.018 30.300 -0.041 0.000 0.869 10 R HN -0.005 nan 8.270 nan 0.000 0.440 11 V N 1.630 121.420 119.914 -0.207 0.000 2.261 11 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 11 V C 2.434 178.366 176.094 -0.269 0.000 1.047 11 V CA 1.807 63.932 62.300 -0.293 0.000 1.015 11 V CB -0.375 31.113 31.823 -0.559 0.000 0.642 11 V HN 0.352 nan 8.190 nan 0.000 0.446 12 M N -0.409 118.942 119.600 -0.416 0.000 2.073 12 M HA -0.285 4.195 4.480 -0.000 0.000 0.258 12 M C 2.308 178.512 176.300 -0.159 0.000 1.070 12 M CA 2.083 57.177 55.300 -0.343 0.000 1.103 12 M CB -0.307 31.991 32.600 -0.504 0.000 1.321 12 M HN 0.224 nan 8.290 nan 0.000 0.405 13 K N 0.087 120.402 120.400 -0.142 0.000 2.152 13 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 13 K C 1.891 178.459 176.600 -0.054 0.000 1.048 13 K CA 1.155 57.396 56.287 -0.077 0.000 0.933 13 K CB -0.273 32.189 32.500 -0.064 0.000 0.721 13 K HN 0.435 nan 8.250 nan 0.000 0.447 14 L N 0.747 121.933 121.223 -0.062 0.000 2.093 14 L HA -0.137 4.202 4.340 -0.000 0.000 0.208 14 L C 0.352 177.211 176.870 -0.019 0.000 1.085 14 L CA 1.134 55.951 54.840 -0.039 0.000 0.755 14 L CB 0.155 42.188 42.059 -0.045 0.000 0.904 14 L HN 0.156 nan 8.230 nan 0.000 0.435 15 D N -1.814 118.586 120.400 -0.000 0.000 2.613 15 D HA 0.160 4.799 4.640 -0.000 0.000 0.312 15 D C -1.934 174.391 176.300 0.042 0.000 1.202 15 D CA -1.036 52.987 54.000 0.039 0.000 0.825 15 D CB 1.094 41.963 40.800 0.115 0.000 1.113 15 D HN -0.024 nan 8.370 nan 0.000 0.502 16 P HA -0.170 nan 4.420 nan 0.000 0.216 16 P C 0.514 177.830 177.300 0.026 0.000 1.157 16 P CA 1.494 64.597 63.100 0.006 0.000 0.880 16 P CB 0.227 31.927 31.700 -0.001 0.000 0.791 17 N N -1.793 116.928 118.700 0.035 0.000 2.251 17 N HA 0.056 4.795 4.740 -0.000 0.000 0.217 17 N C -0.119 175.426 175.510 0.058 0.000 1.124 17 N CA -0.030 53.044 53.050 0.040 0.000 0.843 17 N CB -0.128 38.378 38.487 0.031 0.000 1.024 17 N HN 0.238 nan 8.380 nan 0.000 0.501 18 Q N 0.851 120.706 119.800 0.093 0.000 2.566 18 Q HA 0.164 4.504 4.340 -0.000 0.000 0.221 18 Q C 0.644 176.728 176.000 0.139 0.000 1.195 18 Q CA -0.207 55.677 55.803 0.135 0.000 0.967 18 Q CB 1.035 29.905 28.738 0.221 0.000 1.337 18 Q HN 0.160 nan 8.270 nan 0.000 0.553 19 V N 2.036 121.994 119.914 0.073 0.000 2.261 19 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 19 V C 1.581 177.675 176.094 0.000 0.000 1.047 19 V CA 2.066 64.385 62.300 0.032 0.000 1.015 19 V CB -0.140 31.683 31.823 0.001 0.000 0.642 19 V HN 0.634 nan 8.190 nan 0.000 0.446 20 E N -0.269 119.915 120.200 -0.027 0.000 2.118 20 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 20 E C 1.836 178.417 176.600 -0.032 0.000 0.992 20 E CA 1.562 57.848 56.400 -0.190 0.000 0.804 20 E CB -0.429 29.132 29.700 -0.231 0.000 0.741 20 E HN 0.617 nan 8.360 nan 0.000 0.458 21 F N 0.897 120.882 119.950 0.058 0.000 2.060 21 F HA -0.082 4.445 4.527 -0.000 0.000 0.295 21 F C 1.755 177.656 175.800 0.167 0.000 1.120 21 F CA 1.279 59.380 58.000 0.169 0.000 1.205 21 F CB -0.503 38.573 39.000 0.125 0.000 0.986 21 F HN -0.067 nan 8.300 nan 0.000 0.470 22 L N 0.175 121.307 121.223 -0.151 0.000 2.081 22 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 22 L C 2.662 179.570 176.870 0.063 0.000 1.080 22 L CA 1.888 56.675 54.840 -0.090 0.000 0.754 22 L CB -0.882 41.238 42.059 0.103 0.000 0.893 22 L HN 0.365 nan 8.230 nan 0.000 0.433 23 Q N -0.167 119.636 119.800 0.005 0.000 2.119 23 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 23 Q C 2.294 178.321 176.000 0.045 0.000 0.972 23 Q CA 1.497 57.292 55.803 -0.013 0.000 0.847 23 Q CB 0.017 28.703 28.738 -0.087 0.000 0.903 23 Q HN 0.541 nan 8.270 nan 0.000 0.433 24 A N 0.084 122.963 122.820 0.097 0.000 1.929 24 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 24 A C 1.748 179.464 177.584 0.219 0.000 1.176 24 A CA 0.838 53.034 52.037 0.266 0.000 0.628 24 A CB -0.715 18.659 19.000 0.622 0.000 0.816 24 A HN 0.557 nan 8.150 nan 0.000 0.444 25 F N 0.172 120.044 119.950 -0.130 0.000 2.060 25 F HA -0.157 4.370 4.527 -0.000 0.000 0.295 25 F C 2.180 177.972 175.800 -0.014 0.000 1.120 25 F CA 2.260 60.127 58.000 -0.221 0.000 1.205 25 F CB -0.843 37.808 39.000 -0.582 0.000 0.986 25 F HN 0.458 nan 8.300 nan 0.000 0.470 26 H N -0.194 118.830 119.070 -0.076 0.000 2.394 26 H HA -0.196 4.360 4.556 -0.000 0.000 0.297 26 H C 2.340 177.578 175.328 -0.151 0.000 1.113 26 H CA 2.131 58.045 56.048 -0.222 0.000 1.277 26 H CB -0.198 29.342 29.762 -0.370 0.000 1.370 26 H HN 0.255 nan 8.280 nan 0.000 0.506 27 E N 0.520 120.753 120.200 0.056 0.000 2.051 27 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 27 E C 2.382 178.942 176.600 -0.068 0.000 0.991 27 E CA 1.479 57.896 56.400 0.029 0.000 0.799 27 E CB -0.183 29.556 29.700 0.066 0.000 0.748 27 E HN 0.622 nan 8.360 nan 0.000 0.449 28 I N 0.475 120.977 120.570 -0.113 0.000 2.233 28 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 28 I C 2.571 178.464 176.117 -0.374 0.000 1.093 28 I CA 0.314 61.476 61.300 -0.230 0.000 1.380 28 I CB -0.288 37.599 38.000 -0.189 0.000 1.067 28 I HN 0.126 nan 8.210 nan 0.000 0.413 29 L N 0.868 121.790 121.223 -0.502 0.000 1.976 29 L HA -0.313 4.027 4.340 -0.000 0.000 0.223 29 L C 2.391 178.999 176.870 -0.436 0.000 1.081 29 L CA 2.284 56.770 54.840 -0.590 0.000 0.784 29 L CB -1.066 40.412 42.059 -0.968 0.000 0.896 29 L HN 0.168 nan 8.230 nan 0.000 0.438 30 Y N -1.012 119.073 120.300 -0.359 0.000 2.373 30 Y HA -0.140 4.410 4.550 -0.000 0.000 0.293 30 Y C 2.964 178.733 175.900 -0.218 0.000 1.129 30 Y CA 1.459 59.402 58.100 -0.261 0.000 1.226 30 Y CB -0.499 37.770 38.460 -0.319 0.000 1.000 30 Y HN 0.376 nan 8.280 nan 0.000 0.549 31 S N 0.023 115.641 115.700 -0.137 0.000 2.399 31 S HA -0.149 4.320 4.470 -0.000 0.000 0.231 31 S C 1.766 176.189 174.600 -0.295 0.000 1.022 31 S CA 1.109 59.203 58.200 -0.176 0.000 0.983 31 S CB -0.393 62.694 63.200 -0.189 0.000 0.803 31 S HN 0.490 nan 8.310 nan 0.000 0.480 32 L N 1.027 121.973 121.223 -0.460 0.000 2.554 32 L HA 0.125 4.465 4.340 -0.000 0.000 0.226 32 L C 2.319 178.680 176.870 -0.848 0.000 1.137 32 L CA 0.454 54.821 54.840 -0.788 0.000 0.863 32 L CB -0.344 40.977 42.059 -1.231 0.000 0.985 32 L HN 0.328 nan 8.230 nan 0.000 0.451 33 K N 1.130 121.296 120.400 -0.389 0.000 2.127 33 K HA -0.233 4.086 4.320 -0.000 0.000 0.212 33 K C -0.598 175.916 176.600 -0.143 0.000 1.050 33 K CA 1.962 58.181 56.287 -0.113 0.000 0.929 33 K CB -0.749 31.748 32.500 -0.005 0.000 0.715 33 K HN 0.182 nan 8.250 nan 0.000 0.457 34 P HA -0.183 nan 4.420 nan 0.000 0.216 34 P C 1.253 178.534 177.300 -0.032 0.000 1.153 34 P CA 1.013 64.089 63.100 -0.041 0.000 0.858 34 P CB 0.012 31.705 31.700 -0.012 0.000 0.789 35 L N -1.701 119.314 121.223 -0.347 0.000 2.056 35 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 35 L C 2.205 179.022 176.870 -0.088 0.000 1.078 35 L CA 1.623 56.231 54.840 -0.386 0.000 0.749 35 L CB -1.247 40.351 42.059 -0.768 0.000 0.901 35 L HN -0.129 nan 8.230 nan 0.000 0.433 36 F N -1.427 118.514 119.950 -0.015 0.000 2.134 36 F HA -0.281 4.246 4.527 -0.000 0.000 0.299 36 F C 2.417 178.261 175.800 0.073 0.000 1.097 36 F CA 0.820 58.835 58.000 0.025 0.000 1.264 36 F CB -0.422 38.529 39.000 -0.083 0.000 1.001 36 F HN 0.062 nan 8.300 nan 0.000 0.479 37 M N -0.113 119.617 119.600 0.218 0.000 2.106 37 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 37 M C 2.154 178.667 176.300 0.355 0.000 1.068 37 M CA 1.649 57.079 55.300 0.216 0.000 1.100 37 M CB -0.896 31.800 32.600 0.159 0.000 1.351 37 M HN 0.149 nan 8.290 nan 0.000 0.404 38 E N 0.286 120.657 120.200 0.284 0.000 2.016 38 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 38 E C 0.384 177.136 176.600 0.254 0.000 0.985 38 E CA 0.998 57.564 56.400 0.277 0.000 0.802 38 E CB 0.113 30.035 29.700 0.369 0.000 0.762 38 E HN 0.359 nan 8.360 nan 0.000 0.448 39 E N 0.220 120.591 120.200 0.285 0.000 2.683 39 E HA 0.187 4.537 4.350 -0.000 0.000 0.224 39 E C -2.098 174.634 176.600 0.220 0.000 1.046 39 E CA -1.899 54.621 56.400 0.200 0.000 0.811 39 E CB 1.285 31.109 29.700 0.207 0.000 1.296 39 E HN -0.004 nan 8.360 nan 0.000 0.421 40 P HA -0.216 nan 4.420 nan 0.000 0.223 40 P C 1.294 178.656 177.300 0.103 0.000 1.144 40 P CA 1.252 64.474 63.100 0.202 0.000 0.783 40 P CB 0.208 32.044 31.700 0.227 0.000 0.771 41 K N -1.788 118.602 120.400 -0.017 0.000 2.280 41 K HA -0.155 4.165 4.320 -0.000 0.000 0.202 41 K C 0.691 177.203 176.600 -0.146 0.000 1.047 41 K CA 0.818 57.032 56.287 -0.121 0.000 0.942 41 K CB -0.743 31.599 32.500 -0.263 0.000 0.739 41 K HN 0.155 nan 8.250 nan 0.000 0.457 46 P HA -0.011 nan 4.420 nan 0.000 0.219 46 P C 1.612 179.045 177.300 0.221 0.000 1.150 46 P CA 1.328 64.537 63.100 0.181 0.000 0.814 46 P CB 0.246 32.145 31.700 0.332 0.000 0.787 47 I N -0.926 119.751 120.570 0.178 0.000 2.113 47 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 47 I C 2.358 178.671 176.117 0.327 0.000 1.070 47 I CA 1.415 62.843 61.300 0.213 0.000 1.332 47 I CB -0.562 37.543 38.000 0.176 0.000 1.044 47 I HN -0.132 nan 8.210 nan 0.000 0.402 48 I N 0.677 121.545 120.570 0.496 0.000 2.335 48 I HA -0.319 3.851 4.170 -0.000 0.000 0.251 48 I C 2.537 178.953 176.117 0.498 0.000 1.129 48 I CA 1.532 63.189 61.300 0.595 0.000 1.402 48 I CB -0.109 38.148 38.000 0.427 0.000 1.069 48 I HN 0.333 nan 8.210 nan 0.000 0.424 49 E N -0.272 120.126 120.200 0.330 0.000 2.106 49 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 49 E C 1.910 178.623 176.600 0.188 0.000 0.984 49 E CA 1.662 58.215 56.400 0.254 0.000 0.806 49 E CB 0.088 29.879 29.700 0.152 0.000 0.750 49 E HN 0.429 nan 8.360 nan 0.000 0.458 50 T N 1.045 115.714 114.554 0.191 0.000 2.851 50 T HA 0.002 4.352 4.350 -0.000 0.000 0.262 50 T C 1.771 176.541 174.700 0.117 0.000 1.043 50 T CA 0.588 62.763 62.100 0.126 0.000 1.140 50 T CB -0.018 68.922 68.868 0.121 0.000 0.872 50 T HN 0.153 nan 8.240 nan 0.000 0.446 51 L N 1.915 123.244 121.223 0.175 0.000 2.362 51 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 51 L C 2.547 179.773 176.870 0.593 0.000 1.134 51 L CA 0.893 55.887 54.840 0.256 0.000 0.807 51 L CB -0.691 41.531 42.059 0.271 0.000 0.927 51 L HN 0.336 nan 8.230 nan 0.000 0.447 52 S N -1.195 114.838 115.700 0.554 0.000 2.607 52 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 52 S C 0.710 175.560 174.600 0.416 0.000 0.969 52 S CA 0.019 58.501 58.200 0.470 0.000 0.927 52 S CB -0.209 62.964 63.200 -0.045 0.000 0.772 52 S HN 0.366 nan 8.310 nan 0.000 0.533 53 E N 2.589 122.961 120.200 0.288 0.000 2.073 53 E HA 0.450 4.800 4.350 -0.000 0.000 0.269 53 E C -2.958 173.643 176.600 0.002 0.000 0.917 53 E CA -2.786 53.660 56.400 0.076 0.000 0.757 53 E CB 0.866 30.581 29.700 0.026 0.000 1.111 53 E HN 0.091 nan 8.360 nan 0.000 0.410 54 P HA -0.085 nan 4.420 nan 0.000 0.261 54 P C -0.151 177.041 177.300 -0.181 0.000 1.173 54 P CA 0.450 63.224 63.100 -0.544 0.000 0.760 54 P CB 0.642 31.864 31.700 -0.796 0.000 0.783 55 E N 2.015 122.190 120.200 -0.041 0.000 2.204 55 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 55 E C 0.750 177.351 176.600 0.002 0.000 0.990 55 E CA 1.022 57.460 56.400 0.063 0.000 0.821 55 E CB 0.090 29.940 29.700 0.251 0.000 0.750 55 E HN 0.323 nan 8.360 nan 0.000 0.477 56 R N -0.732 119.700 120.500 -0.113 0.000 2.560 56 R HA 0.428 4.768 4.340 -0.000 0.000 0.267 56 R C -2.122 174.049 176.300 -0.215 0.000 1.150 56 R CA -0.191 55.826 56.100 -0.139 0.000 0.997 56 R CB 1.514 31.746 30.300 -0.113 0.000 1.250 56 R HN 0.007 nan 8.270 nan 0.000 0.433 57 A N 6.007 128.724 122.820 -0.172 0.000 2.332 57 A HA 0.613 4.933 4.320 -0.000 0.000 0.300 57 A C -0.865 176.661 177.584 -0.098 0.000 1.153 57 A CA -0.643 51.306 52.037 -0.147 0.000 0.764 57 A CB 0.675 19.586 19.000 -0.148 0.000 1.174 57 A HN 0.621 nan 8.150 nan 0.000 0.467 58 I N 2.013 122.527 120.570 -0.093 0.000 2.362 58 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 58 I C 0.049 176.205 176.117 0.064 0.000 0.994 58 I CA -0.270 60.967 61.300 -0.106 0.000 1.158 58 I CB 1.879 39.655 38.000 -0.372 0.000 1.315 58 I HN 0.778 nan 8.210 nan 0.000 0.451 59 Q N 7.819 127.650 119.800 0.052 0.000 2.331 59 Q HA 0.607 4.947 4.340 -0.000 0.000 0.267 59 Q C -1.658 174.371 176.000 0.049 0.000 1.006 59 Q CA -0.646 55.142 55.803 -0.025 0.000 0.818 59 Q CB 1.637 30.330 28.738 -0.075 0.000 1.276 59 Q HN 0.606 nan 8.270 nan 0.000 0.450 60 F N 0.223 120.010 119.950 -0.272 0.000 2.599 60 F HA 0.643 5.170 4.527 -0.000 0.000 0.311 60 F C -0.907 174.795 175.800 -0.164 0.000 1.076 60 F CA -1.409 56.475 58.000 -0.193 0.000 0.937 60 F CB 1.296 40.188 39.000 -0.181 0.000 1.282 60 F HN 0.392 nan 8.300 nan 0.000 0.460 61 R N 1.611 122.123 120.500 0.020 0.000 2.410 61 R HA 0.753 5.093 4.340 -0.000 0.000 0.288 61 R C -1.837 174.490 176.300 0.046 0.000 1.051 61 R CA -0.580 55.508 56.100 -0.019 0.000 1.021 61 R CB 1.581 31.893 30.300 0.020 0.000 1.032 61 R HN 0.756 nan 8.270 nan 0.000 0.481 62 V N 4.493 124.442 119.914 0.058 0.000 2.567 62 V HA 0.277 4.397 4.120 -0.000 0.000 0.298 62 V C -0.765 175.489 176.094 0.266 0.000 1.047 62 V CA -0.780 61.596 62.300 0.127 0.000 0.880 62 V CB 1.685 33.532 31.823 0.040 0.000 1.009 62 V HN 0.890 nan 8.190 nan 0.000 0.429 63 C N 6.075 125.510 119.300 0.226 0.000 2.376 63 C HA 0.857 5.317 4.460 -0.000 0.000 0.335 63 C C -0.593 174.597 174.990 0.333 0.000 1.229 63 C CA -0.660 58.493 59.018 0.225 0.000 1.867 63 C CB 0.933 28.726 27.740 0.088 0.000 2.319 63 C HN 0.969 nan 8.230 nan 0.000 0.515 64 W N 1.871 123.233 121.300 0.103 0.000 3.213 64 W HA 0.602 5.262 4.660 0.000 0.000 0.318 64 W C -2.292 174.287 176.519 0.100 0.000 1.248 64 W CA -1.578 55.829 57.345 0.103 0.000 1.187 64 W CB 0.054 29.613 29.460 0.165 0.000 1.403 64 W HN 0.402 nan 8.180 nan 0.000 0.556 65 L N 3.799 125.089 121.223 0.112 0.000 2.290 65 L HA 0.163 4.503 4.340 -0.000 0.000 0.284 65 L C 0.705 177.592 176.870 0.029 0.000 1.078 65 L CA -0.244 54.573 54.840 -0.038 0.000 0.815 65 L CB 0.351 42.432 42.059 0.037 0.000 1.162 65 L HN 0.360 nan 8.230 nan 0.000 0.435 66 D N 0.455 120.739 120.400 -0.194 0.000 2.411 66 D HA 0.014 4.654 4.640 -0.000 0.000 0.251 66 D C 0.309 176.658 176.300 0.082 0.000 1.201 66 D CA -0.598 53.397 54.000 -0.008 0.000 0.996 66 D CB 0.661 41.371 40.800 -0.149 0.000 1.101 66 D HN 0.328 nan 8.370 nan 0.000 0.504 67 D N -1.244 119.235 120.400 0.131 0.000 2.403 67 D HA -0.065 4.574 4.640 -0.000 0.000 0.227 67 D C 0.281 176.609 176.300 0.048 0.000 0.995 67 D CA 0.607 54.663 54.000 0.094 0.000 0.928 67 D CB -0.437 40.424 40.800 0.103 0.000 0.887 67 D HN 0.453 nan 8.370 nan 0.000 0.529 68 N N -1.274 117.439 118.700 0.021 0.000 2.184 68 N HA 0.172 4.912 4.740 -0.000 0.000 0.206 68 N C 1.198 176.702 175.510 -0.010 0.000 1.151 68 N CA 0.300 53.352 53.050 0.003 0.000 0.878 68 N CB 1.396 39.878 38.487 -0.008 0.000 1.014 68 N HN 0.106 nan 8.380 nan 0.000 0.512 69 G N 0.791 109.583 108.800 -0.015 0.000 2.213 69 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 69 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 69 G C 0.118 174.986 174.900 -0.053 0.000 0.991 69 G CA -0.204 44.882 45.100 -0.023 0.000 0.629 69 G HN 0.125 nan 8.290 nan 0.000 0.517 70 V N 2.180 122.047 119.914 -0.078 0.000 2.521 70 V HA 0.334 4.453 4.120 -0.000 0.000 0.286 70 V C 1.012 176.998 176.094 -0.180 0.000 1.034 70 V CA 0.409 62.643 62.300 -0.110 0.000 1.045 70 V CB 1.529 33.286 31.823 -0.111 0.000 0.974 70 V HN 0.578 nan 8.190 nan 0.000 0.480 71 Q N 5.596 125.301 119.800 -0.159 0.000 2.332 71 Q HA 0.233 4.572 4.340 -0.000 0.000 0.263 71 Q C -0.317 175.504 176.000 -0.299 0.000 0.979 71 Q CA -0.149 55.533 55.803 -0.201 0.000 0.885 71 Q CB 0.540 29.210 28.738 -0.113 0.000 1.218 71 Q HN 0.602 nan 8.270 nan 0.000 0.405 72 R N 2.917 123.112 120.500 -0.507 0.000 2.902 72 R HA 0.557 4.897 4.340 -0.000 0.000 0.258 72 R C -0.957 175.184 176.300 -0.265 0.000 1.071 72 R CA -0.815 54.951 56.100 -0.557 0.000 1.024 72 R CB 1.615 31.194 30.300 -1.201 0.000 1.184 72 R HN 0.607 nan 8.270 nan 0.000 0.492 73 K N 1.475 121.857 120.400 -0.030 0.000 2.468 73 K HA 0.413 4.733 4.320 -0.000 0.000 0.252 73 K C -1.398 175.353 176.600 0.251 0.000 0.932 73 K CA -0.499 55.869 56.287 0.134 0.000 0.794 73 K CB 1.804 34.337 32.500 0.055 0.000 1.241 73 K HN 0.591 nan 8.250 nan 0.000 0.428 74 N N 1.051 119.935 118.700 0.308 0.000 2.277 74 N HA 0.323 5.063 4.740 -0.000 0.000 0.286 74 N C -1.645 173.923 175.510 0.095 0.000 1.140 74 N CA -0.832 52.373 53.050 0.258 0.000 0.799 74 N CB 2.196 40.928 38.487 0.408 0.000 1.596 74 N HN 0.445 nan 8.380 nan 0.000 0.473 75 R N 1.493 121.999 120.500 0.010 0.000 2.297 75 R HA 0.643 4.983 4.340 -0.000 0.000 0.308 75 R C -1.197 174.888 176.300 -0.358 0.000 1.029 75 R CA -0.265 55.712 56.100 -0.204 0.000 0.929 75 R CB 0.203 30.409 30.300 -0.157 0.000 1.046 75 R HN 0.614 nan 8.270 nan 0.000 0.461 76 C N 4.090 122.927 119.300 -0.772 0.000 2.667 76 C HA 0.723 5.183 4.460 -0.000 0.000 0.323 76 C C -0.962 173.380 174.990 -1.079 0.000 1.214 76 C CA -0.721 57.796 59.018 -0.834 0.000 1.721 76 C CB 0.996 27.922 27.740 -1.355 0.000 2.275 76 C HN 0.798 nan 8.230 nan 0.000 0.491 77 F N 0.125 120.063 119.950 -0.020 0.000 2.675 77 F HA 0.834 5.360 4.527 -0.000 0.000 0.324 77 F C 0.063 176.059 175.800 0.328 0.000 1.106 77 F CA -0.884 57.206 58.000 0.150 0.000 0.970 77 F CB 1.210 40.282 39.000 0.120 0.000 1.385 77 F HN 0.376 nan 8.300 nan 0.000 0.489 78 R N 0.906 121.659 120.500 0.422 0.000 3.090 78 R HA 0.402 4.742 4.340 -0.000 0.000 0.264 78 R C -2.541 173.802 176.300 0.073 0.000 1.380 78 R CA -0.107 56.142 56.100 0.248 0.000 0.952 78 R CB 0.442 30.855 30.300 0.188 0.000 1.428 78 R HN 0.452 nan 8.270 nan 0.000 0.371 79 V N 5.516 125.462 119.914 0.053 0.000 2.353 79 V HA 0.280 4.400 4.120 -0.000 0.000 0.264 79 V C 0.311 176.313 176.094 -0.154 0.000 1.049 79 V CA -0.152 62.101 62.300 -0.079 0.000 0.896 79 V CB 1.367 33.153 31.823 -0.061 0.000 1.025 79 V HN 0.564 nan 8.190 nan 0.000 0.475 80 Q N 4.479 124.063 119.800 -0.359 0.000 2.681 80 Q HA 0.221 4.561 4.340 -0.000 0.000 0.222 80 Q C 0.167 175.876 176.000 -0.486 0.000 1.258 80 Q CA -0.162 55.161 55.803 -0.801 0.000 1.014 80 Q CB 0.442 28.369 28.738 -1.352 0.000 1.384 80 Q HN 0.814 nan 8.270 nan 0.000 0.570 81 Y N 1.674 121.907 120.300 -0.112 0.000 2.034 81 Y HA -0.198 4.351 4.550 -0.000 0.000 0.269 81 Y C 1.188 177.216 175.900 0.214 0.000 1.125 81 Y CA 1.218 59.361 58.100 0.072 0.000 1.097 81 Y CB 0.474 38.986 38.460 0.086 0.000 0.978 81 Y HN 0.441 nan 8.280 nan 0.000 0.480 82 N N -0.953 118.060 118.700 0.522 0.000 2.238 82 N HA 0.128 4.868 4.740 -0.000 0.000 0.302 82 N C -0.880 174.791 175.510 0.269 0.000 1.072 82 N CA 0.471 53.738 53.050 0.362 0.000 0.792 82 N CB 1.872 40.431 38.487 0.120 0.000 1.425 82 N HN 0.178 nan 8.380 nan 0.000 0.478 83 S N 0.878 116.676 115.700 0.163 0.000 2.855 83 S HA 0.272 4.742 4.470 -0.000 0.000 0.249 83 S C 1.088 175.700 174.600 0.019 0.000 1.033 83 S CA -0.107 58.015 58.200 -0.129 0.000 1.038 83 S CB 0.423 63.443 63.200 -0.300 0.000 0.960 83 S HN 0.551 nan 8.310 nan 0.000 0.548 84 A N 2.094 124.992 122.820 0.130 0.000 1.897 84 A HA 0.309 4.629 4.320 -0.000 0.000 0.215 84 A C 1.883 179.497 177.584 0.050 0.000 1.181 84 A CA 0.983 53.116 52.037 0.159 0.000 0.620 84 A CB -0.571 18.558 19.000 0.214 0.000 0.821 84 A HN 0.559 nan 8.150 nan 0.000 0.443 85 L N -1.772 119.455 121.223 0.008 0.000 2.567 85 L HA 0.364 4.704 4.340 -0.000 0.000 0.225 85 L C 1.108 177.959 176.870 -0.032 0.000 1.119 85 L CA 0.357 55.189 54.840 -0.013 0.000 0.871 85 L CB -0.059 41.988 42.059 -0.019 0.000 1.036 85 L HN 0.574 nan 8.230 nan 0.000 0.459 86 G N -1.134 107.630 108.800 -0.061 0.000 2.324 86 G HA2 0.136 4.096 3.960 -0.000 0.000 0.293 86 G HA3 0.136 4.096 3.960 -0.000 0.000 0.293 86 G C -3.122 171.698 174.900 -0.133 0.000 1.297 86 G CA -0.939 44.117 45.100 -0.073 0.000 0.853 86 G HN -0.351 nan 8.290 nan 0.000 0.535 87 P HA 0.269 nan 4.420 nan 0.000 0.266 87 P C -0.484 176.767 177.300 -0.081 0.000 1.195 87 P CA 0.136 63.165 63.100 -0.120 0.000 0.768 87 P CB 0.016 31.729 31.700 0.022 0.000 0.838 88 Y N 1.786 122.127 120.300 0.068 0.000 2.805 88 Y HA 0.010 4.560 4.550 -0.000 0.000 0.331 88 Y C 1.312 177.244 175.900 0.053 0.000 1.241 88 Y CA 0.584 58.723 58.100 0.065 0.000 1.546 88 Y CB 0.080 38.588 38.460 0.080 0.000 1.248 88 Y HN 0.065 nan 8.280 nan 0.000 0.559 89 K N 2.649 123.154 120.400 0.176 0.000 2.463 89 K HA 0.716 5.036 4.320 -0.000 0.000 0.255 89 K C -0.368 176.281 176.600 0.082 0.000 0.942 89 K CA -0.636 55.711 56.287 0.101 0.000 0.814 89 K CB 1.922 34.452 32.500 0.051 0.000 1.122 89 K HN 0.898 nan 8.250 nan 0.000 0.425 90 G N 0.851 109.694 108.800 0.072 0.000 2.498 90 G HA2 0.435 4.395 3.960 -0.000 0.000 0.301 90 G HA3 0.435 4.395 3.960 -0.000 0.000 0.301 90 G C -0.489 174.442 174.900 0.051 0.000 1.577 90 G CA -0.564 44.568 45.100 0.054 0.000 0.868 90 G HN 0.547 nan 8.290 nan 0.000 0.599 91 G N -0.812 108.002 108.800 0.022 0.000 2.621 91 G HA2 0.591 4.551 3.960 -0.000 0.000 0.271 91 G HA3 0.591 4.551 3.960 -0.000 0.000 0.271 91 G C -0.153 174.769 174.900 0.037 0.000 1.236 91 G CA -0.684 44.420 45.100 0.008 0.000 0.958 91 G HN 0.707 nan 8.290 nan 0.000 0.512 92 L N -0.332 120.884 121.223 -0.012 0.000 2.334 92 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 92 L C 0.324 177.129 176.870 -0.108 0.000 1.014 92 L CA -0.781 54.057 54.840 -0.004 0.000 0.815 92 L CB 2.057 44.073 42.059 -0.072 0.000 1.268 92 L HN 0.499 nan 8.230 nan 0.000 0.428 93 R N 3.101 123.630 120.500 0.048 0.000 2.451 93 R HA 0.455 4.795 4.340 -0.000 0.000 0.307 93 R C -1.655 174.869 176.300 0.373 0.000 0.965 93 R CA -0.346 55.807 56.100 0.089 0.000 0.865 93 R CB 0.911 31.282 30.300 0.118 0.000 1.174 93 R HN 0.502 nan 8.270 nan 0.000 0.455 94 F N 4.536 124.564 119.950 0.129 0.000 2.313 94 F HA 0.296 4.823 4.527 -0.000 0.000 0.369 94 F C -0.065 175.861 175.800 0.211 0.000 1.109 94 F CA -0.893 57.210 58.000 0.171 0.000 1.132 94 F CB 1.012 40.133 39.000 0.201 0.000 1.291 94 F HN 0.571 nan 8.300 nan 0.000 0.496 95 H N 4.315 123.529 119.070 0.240 0.000 3.087 95 H HA 0.235 4.791 4.556 -0.000 0.000 0.348 95 H C -2.290 173.095 175.328 0.094 0.000 1.092 95 H CA -1.649 54.475 56.048 0.126 0.000 1.285 95 H CB 2.462 32.295 29.762 0.118 0.000 1.875 95 H HN 0.081 nan 8.280 nan 0.000 0.512 96 P HA -0.227 nan 4.420 nan 0.000 0.218 96 P C 0.801 178.090 177.300 -0.018 0.000 1.150 96 P CA 2.233 65.234 63.100 -0.164 0.000 0.841 96 P CB 0.248 31.791 31.700 -0.261 0.000 0.784 97 S N -2.854 112.880 115.700 0.057 0.000 2.605 97 S HA 0.112 4.582 4.470 -0.000 0.000 0.217 97 S C 0.627 175.335 174.600 0.180 0.000 0.958 97 S CA -0.385 57.904 58.200 0.149 0.000 0.919 97 S CB -0.906 62.413 63.200 0.200 0.000 0.780 97 S HN -0.162 nan 8.310 nan 0.000 0.507 98 V N 4.023 124.064 119.914 0.212 0.000 2.740 98 V HA 0.302 4.422 4.120 -0.000 0.000 0.303 98 V C 0.301 176.474 176.094 0.131 0.000 1.054 98 V CA 0.128 62.539 62.300 0.186 0.000 1.106 98 V CB 0.086 32.071 31.823 0.270 0.000 0.957 98 V HN 0.883 nan 8.190 nan 0.000 0.486 99 N N 2.722 121.372 118.700 -0.083 0.000 3.046 99 N HA 0.259 4.999 4.740 -0.000 0.000 0.243 99 N C 0.299 175.394 175.510 -0.693 0.000 1.452 99 N CA -1.033 51.871 53.050 -0.242 0.000 0.882 99 N CB 1.226 39.713 38.487 -0.000 0.000 1.425 99 N HN 0.290 nan 8.380 nan 0.000 0.517 100 L N 1.455 122.235 121.223 -0.739 0.000 1.976 100 L HA -0.224 4.116 4.340 -0.000 0.000 0.223 100 L C 2.568 179.275 176.870 -0.270 0.000 1.081 100 L CA 2.636 57.139 54.840 -0.562 0.000 0.784 100 L CB -1.161 40.824 42.059 -0.122 0.000 0.896 100 L HN 0.890 nan 8.230 nan 0.000 0.438 101 S N -0.737 114.899 115.700 -0.107 0.000 2.380 101 S HA -0.276 4.194 4.470 -0.000 0.000 0.229 101 S C 2.066 176.745 174.600 0.132 0.000 1.050 101 S CA 2.271 60.492 58.200 0.034 0.000 1.100 101 S CB -0.601 62.647 63.200 0.081 0.000 0.984 101 S HN 0.476 nan 8.310 nan 0.000 0.434 102 I N 0.983 121.613 120.570 0.101 0.000 2.286 102 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 102 I C 2.233 178.485 176.117 0.225 0.000 1.115 102 I CA 0.951 62.399 61.300 0.247 0.000 1.392 102 I CB -0.320 37.787 38.000 0.178 0.000 1.065 102 I HN 0.234 nan 8.210 nan 0.000 0.418 103 V N 0.596 120.520 119.914 0.016 0.000 2.453 103 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 103 V C 2.449 178.600 176.094 0.095 0.000 1.048 103 V CA 1.648 63.950 62.300 0.002 0.000 1.049 103 V CB -0.616 31.105 31.823 -0.170 0.000 0.672 103 V HN 0.378 nan 8.190 nan 0.000 0.457 104 K N -0.461 119.995 120.400 0.092 0.000 2.148 104 K HA -0.168 4.151 4.320 -0.000 0.000 0.204 104 K C 2.091 178.964 176.600 0.455 0.000 1.050 104 K CA 1.440 57.842 56.287 0.191 0.000 0.942 104 K CB -0.187 32.214 32.500 -0.166 0.000 0.724 104 K HN 0.452 nan 8.250 nan 0.000 0.446 105 F N 1.321 121.458 119.950 0.312 0.000 2.146 105 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 105 F C 1.390 177.363 175.800 0.289 0.000 1.096 105 F CA 1.258 59.480 58.000 0.370 0.000 1.275 105 F CB -0.233 38.925 39.000 0.263 0.000 1.008 105 F HN -0.085 nan 8.300 nan 0.000 0.480 106 L N -0.080 120.960 121.223 -0.304 0.000 2.179 106 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 106 L C 2.757 179.547 176.870 -0.133 0.000 1.096 106 L CA 0.938 55.525 54.840 -0.422 0.000 0.779 106 L CB -1.409 40.513 42.059 -0.229 0.000 0.922 106 L HN 0.333 nan 8.230 nan 0.000 0.443 107 G N -0.252 108.583 108.800 0.058 0.000 2.394 107 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 107 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 107 G C 1.473 176.318 174.900 -0.092 0.000 1.165 107 G CA 0.229 45.409 45.100 0.133 0.000 0.784 107 G HN 0.224 nan 8.290 nan 0.000 0.535 108 F N 1.846 121.628 119.950 -0.281 0.000 2.171 108 F HA 0.006 4.532 4.527 -0.000 0.000 0.300 108 F C 2.654 178.356 175.800 -0.163 0.000 1.090 108 F CA 1.670 59.397 58.000 -0.456 0.000 1.293 108 F CB 0.079 39.089 39.000 0.017 0.000 1.013 108 F HN 0.221 nan 8.300 nan 0.000 0.486 109 E N -0.795 119.393 120.200 -0.020 0.000 2.216 109 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 109 E C 2.036 178.551 176.600 -0.142 0.000 0.988 109 E CA 0.338 56.736 56.400 -0.004 0.000 0.834 109 E CB -0.290 29.423 29.700 0.021 0.000 0.772 109 E HN 0.456 nan 8.360 nan 0.000 0.479 110 Q N 0.781 120.468 119.800 -0.189 0.000 2.226 110 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 110 Q C 2.238 178.085 176.000 -0.254 0.000 0.975 110 Q CA 0.763 56.468 55.803 -0.164 0.000 0.866 110 Q CB -0.132 28.547 28.738 -0.099 0.000 0.915 110 Q HN 0.419 nan 8.270 nan 0.000 0.440 111 I N -0.209 120.065 120.570 -0.492 0.000 2.076 111 I HA -0.310 3.860 4.170 -0.000 0.000 0.237 111 I C 1.950 177.678 176.117 -0.648 0.000 1.059 111 I CA 1.504 62.391 61.300 -0.689 0.000 1.317 111 I CB -0.594 36.653 38.000 -1.255 0.000 1.037 111 I HN 0.101 nan 8.210 nan 0.000 0.398 112 F N 0.831 120.663 119.950 -0.196 0.000 2.269 112 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 112 F C 2.543 178.282 175.800 -0.100 0.000 1.082 112 F CA 1.145 59.059 58.000 -0.143 0.000 1.360 112 F CB -0.497 38.404 39.000 -0.165 0.000 1.041 112 F HN 0.015 nan 8.300 nan 0.000 0.512 113 K N 0.946 121.330 120.400 -0.027 0.000 2.031 113 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 113 K C 1.663 178.243 176.600 -0.033 0.000 1.049 113 K CA 1.523 57.796 56.287 -0.024 0.000 0.939 113 K CB -0.230 32.243 32.500 -0.045 0.000 0.717 113 K HN 0.303 nan 8.250 nan 0.000 0.438 114 N N -0.045 118.616 118.700 -0.065 0.000 2.120 114 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 114 N C 1.799 177.290 175.510 -0.031 0.000 1.024 114 N CA 1.148 54.171 53.050 -0.046 0.000 0.852 114 N CB -0.083 38.368 38.487 -0.060 0.000 1.003 114 N HN 0.113 nan 8.380 nan 0.000 0.424 115 S N 0.977 116.649 115.700 -0.046 0.000 2.383 115 S HA -0.036 4.434 4.470 -0.000 0.000 0.229 115 S C 1.815 176.420 174.600 0.009 0.000 1.030 115 S CA 0.783 58.972 58.200 -0.018 0.000 1.002 115 S CB -0.188 63.009 63.200 -0.006 0.000 0.829 115 S HN 0.248 nan 8.310 nan 0.000 0.467 116 L N 1.258 122.492 121.223 0.017 0.000 2.291 116 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 116 L C 2.758 179.648 176.870 0.034 0.000 1.120 116 L CA 1.484 56.340 54.840 0.027 0.000 0.799 116 L CB -0.795 41.278 42.059 0.024 0.000 0.925 116 L HN 0.561 nan 8.230 nan 0.000 0.446 117 T N -3.750 110.821 114.554 0.028 0.000 3.007 117 T HA -0.023 4.327 4.350 -0.000 0.000 0.270 117 T C 1.625 176.352 174.700 0.044 0.000 1.107 117 T CA 0.906 63.031 62.100 0.041 0.000 1.118 117 T CB 0.008 68.897 68.868 0.034 0.000 0.889 117 T HN 0.508 nan 8.240 nan 0.000 0.506 118 G N 1.069 109.889 108.800 0.033 0.000 2.284 118 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.247 118 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.247 118 G C 0.132 175.049 174.900 0.029 0.000 1.012 118 G CA 0.264 45.382 45.100 0.030 0.000 0.618 118 G HN 0.644 nan 8.290 nan 0.000 0.521 119 L N 0.667 121.910 121.223 0.034 0.000 2.464 119 L HA 0.540 4.880 4.340 -0.000 0.000 0.224 119 L C 0.984 177.868 176.870 0.023 0.000 1.219 119 L CA -0.150 54.713 54.840 0.038 0.000 0.831 119 L CB 0.492 42.583 42.059 0.053 0.000 1.284 119 L HN 0.087 nan 8.230 nan 0.000 0.522 120 S N 1.460 117.174 115.700 0.024 0.000 2.835 120 S HA 0.570 5.039 4.470 -0.000 0.000 0.286 120 S C -0.409 174.197 174.600 0.010 0.000 1.194 120 S CA -0.338 57.866 58.200 0.007 0.000 1.031 120 S CB -0.277 62.919 63.200 -0.006 0.000 1.216 120 S HN 0.320 nan 8.310 nan 0.000 0.502 121 M N 1.810 121.410 119.600 -0.000 0.000 2.378 121 M HA 0.444 4.923 4.480 -0.000 0.000 0.289 121 M C 0.566 176.853 176.300 -0.022 0.000 1.136 121 M CA -0.724 54.576 55.300 -0.000 0.000 0.917 121 M CB 2.164 34.772 32.600 0.013 0.000 1.669 121 M HN 0.558 nan 8.290 nan 0.000 0.461 122 G N 1.094 109.879 108.800 -0.026 0.000 2.582 122 G HA2 0.776 4.736 3.960 -0.000 0.000 0.232 122 G HA3 0.776 4.736 3.960 -0.000 0.000 0.232 122 G C -0.467 174.448 174.900 0.024 0.000 1.458 122 G CA -0.463 44.623 45.100 -0.024 0.000 1.062 122 G HN 0.819 nan 8.290 nan 0.000 0.566 123 G N -1.659 107.213 108.800 0.120 0.000 2.732 123 G HA2 0.664 4.624 3.960 -0.000 0.000 0.295 123 G HA3 0.664 4.624 3.960 -0.000 0.000 0.295 123 G C -0.499 174.542 174.900 0.235 0.000 1.456 123 G CA 0.384 45.539 45.100 0.092 0.000 1.050 123 G HN 1.090 nan 8.290 nan 0.000 0.525 124 G N 0.021 108.927 108.800 0.176 0.000 2.788 124 G HA2 0.800 4.760 3.960 -0.000 0.000 0.293 124 G HA3 0.800 4.760 3.960 -0.000 0.000 0.293 124 G C -1.565 173.413 174.900 0.130 0.000 1.392 124 G CA -0.823 44.379 45.100 0.169 0.000 0.810 124 G HN 0.744 nan 8.290 nan 0.000 0.508 125 K N -2.158 118.319 120.400 0.129 0.000 2.703 125 K HA 0.645 4.965 4.320 -0.000 0.000 0.285 125 K C -0.505 176.198 176.600 0.173 0.000 1.014 125 K CA 0.353 56.717 56.287 0.128 0.000 0.858 125 K CB 1.485 34.051 32.500 0.110 0.000 1.467 125 K HN 1.661 nan 8.250 nan 0.000 0.383 126 G N -0.382 108.549 108.800 0.218 0.000 2.441 126 G HA2 0.645 4.605 3.960 -0.000 0.000 0.294 126 G HA3 0.645 4.605 3.960 -0.000 0.000 0.294 126 G C -0.788 174.354 174.900 0.403 0.000 1.393 126 G CA 0.070 45.382 45.100 0.353 0.000 0.796 126 G HN 1.181 nan 8.290 nan 0.000 0.494 127 G N -1.616 107.543 108.800 0.598 0.000 2.333 127 G HA2 0.649 4.609 3.960 -0.000 0.000 0.288 127 G HA3 0.649 4.609 3.960 -0.000 0.000 0.288 127 G C -1.198 174.114 174.900 0.687 0.000 1.286 127 G CA 0.862 46.330 45.100 0.613 0.000 0.865 127 G HN 1.852 nan 8.290 nan 0.000 0.506 128 S N -1.167 114.885 115.700 0.586 0.000 2.564 128 S HA 0.521 4.991 4.470 -0.000 0.000 0.274 128 S C -0.496 174.279 174.600 0.292 0.000 1.124 128 S CA 0.432 58.846 58.200 0.357 0.000 0.869 128 S CB 1.764 65.033 63.200 0.115 0.000 1.105 128 S HN 0.985 nan 8.310 nan 0.000 0.472 129 D N 1.643 122.182 120.400 0.231 0.000 2.344 129 D HA 0.063 4.703 4.640 -0.000 0.000 0.242 129 D C 0.110 176.444 176.300 0.056 0.000 1.159 129 D CA -0.258 53.840 54.000 0.165 0.000 0.859 129 D CB -0.655 40.243 40.800 0.164 0.000 0.925 129 D HN 0.306 nan 8.370 nan 0.000 0.510 130 F N 1.767 121.579 119.950 -0.230 0.000 2.504 130 F HA 0.224 4.751 4.527 -0.000 0.000 0.369 130 F C 0.046 175.656 175.800 -0.316 0.000 1.082 130 F CA -0.769 56.925 58.000 -0.511 0.000 1.216 130 F CB 0.715 38.861 39.000 -1.423 0.000 1.108 130 F HN -0.245 nan 8.300 nan 0.000 0.554 131 D N 8.655 128.590 120.400 -0.775 0.000 2.396 131 D HA 0.284 4.924 4.640 -0.000 0.000 0.225 131 D C -1.993 173.818 176.300 -0.815 0.000 1.121 131 D CA -2.417 51.236 54.000 -0.578 0.000 0.853 131 D CB 1.783 42.365 40.800 -0.364 0.000 1.043 131 D HN 0.285 nan 8.370 nan 0.000 0.500 132 P HA -0.055 nan 4.420 nan 0.000 0.219 132 P C -0.260 176.939 177.300 -0.169 0.000 1.150 132 P CA 0.700 63.630 63.100 -0.284 0.000 0.814 132 P CB 0.229 31.969 31.700 0.067 0.000 0.787 133 K N 0.145 120.471 120.400 -0.124 0.000 2.491 133 K HA 0.208 4.528 4.320 -0.000 0.000 0.279 133 K C 1.223 177.777 176.600 -0.076 0.000 1.026 133 K CA 1.031 57.278 56.287 -0.067 0.000 1.070 133 K CB -0.622 31.848 32.500 -0.051 0.000 0.887 133 K HN 0.206 nan 8.250 nan 0.000 0.481 134 G N 2.021 110.803 108.800 -0.030 0.000 2.176 134 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 134 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 134 G C -0.218 174.685 174.900 0.004 0.000 0.979 134 G CA 0.044 45.136 45.100 -0.014 0.000 0.641 134 G HN 0.451 nan 8.290 nan 0.000 0.530 135 K N 1.310 121.711 120.400 0.001 0.000 2.110 135 K HA 0.665 4.985 4.320 -0.000 0.000 0.263 135 K C 0.936 177.591 176.600 0.091 0.000 0.975 135 K CA 0.249 56.567 56.287 0.052 0.000 0.895 135 K CB 1.382 33.897 32.500 0.026 0.000 1.060 135 K HN 0.437 nan 8.250 nan 0.000 0.448 136 S N 0.049 115.821 115.700 0.120 0.000 2.624 136 S HA 0.051 4.521 4.470 -0.000 0.000 0.263 136 S C 0.792 175.478 174.600 0.144 0.000 1.287 136 S CA -0.190 58.081 58.200 0.118 0.000 0.990 136 S CB 0.945 64.215 63.200 0.117 0.000 0.950 136 S HN 0.655 nan 8.310 nan 0.000 0.561 137 D N 0.442 120.928 120.400 0.142 0.000 2.117 137 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 137 D C 1.735 178.132 176.300 0.161 0.000 0.982 137 D CA 1.159 55.272 54.000 0.189 0.000 0.828 137 D CB -0.168 40.745 40.800 0.188 0.000 0.967 137 D HN 0.550 nan 8.370 nan 0.000 0.464 138 N N 0.229 118.994 118.700 0.109 0.000 2.258 138 N HA -0.155 4.585 4.740 -0.000 0.000 0.187 138 N C 1.382 176.964 175.510 0.120 0.000 1.012 138 N CA 0.831 53.924 53.050 0.073 0.000 0.870 138 N CB 0.016 38.547 38.487 0.075 0.000 0.977 138 N HN 0.468 nan 8.380 nan 0.000 0.434 139 E N 0.314 120.623 120.200 0.180 0.000 2.086 139 E HA 0.087 4.437 4.350 -0.000 0.000 0.190 139 E C 2.052 178.740 176.600 0.146 0.000 0.975 139 E CA 0.225 56.773 56.400 0.245 0.000 0.813 139 E CB 0.111 30.012 29.700 0.335 0.000 0.768 139 E HN 0.268 nan 8.360 nan 0.000 0.457 140 I N 1.127 121.824 120.570 0.212 0.000 2.335 140 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 140 I C 2.402 178.650 176.117 0.217 0.000 1.129 140 I CA 0.578 62.041 61.300 0.272 0.000 1.402 140 I CB -0.150 38.054 38.000 0.341 0.000 1.069 140 I HN 0.168 nan 8.210 nan 0.000 0.424 141 L N 1.116 122.422 121.223 0.139 0.000 2.005 141 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 141 L C 2.432 179.275 176.870 -0.044 0.000 1.072 141 L CA 1.887 56.681 54.840 -0.076 0.000 0.744 141 L CB -0.585 41.198 42.059 -0.459 0.000 0.895 141 L HN 0.021 nan 8.230 nan 0.000 0.433 142 K N -1.113 119.293 120.400 0.009 0.000 2.103 142 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 142 K C 2.099 178.699 176.600 0.001 0.000 1.048 142 K CA 1.949 58.277 56.287 0.067 0.000 0.930 142 K CB -0.515 32.123 32.500 0.230 0.000 0.716 142 K HN 0.328 nan 8.250 nan 0.000 0.444 143 F N 1.092 120.836 119.950 -0.343 0.000 2.206 143 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 143 F C 2.054 177.607 175.800 -0.410 0.000 1.090 143 F CA 0.924 58.483 58.000 -0.734 0.000 1.323 143 F CB -0.263 37.676 39.000 -1.768 0.000 1.028 143 F HN -0.021 nan 8.300 nan 0.000 0.492 144 C N 0.500 119.681 119.300 -0.198 0.000 2.435 144 C HA -0.145 4.315 4.460 -0.000 0.000 0.279 144 C C 2.684 177.677 174.990 0.005 0.000 1.321 144 C CA 1.176 60.177 59.018 -0.027 0.000 1.752 144 C CB -1.106 26.767 27.740 0.222 0.000 1.959 144 C HN 0.545 nan 8.230 nan 0.000 0.500 145 Q N 0.199 119.981 119.800 -0.029 0.000 2.187 145 Q HA -0.013 4.327 4.340 -0.000 0.000 0.199 145 Q C 2.448 178.439 176.000 -0.016 0.000 0.957 145 Q CA 1.392 57.194 55.803 -0.001 0.000 0.857 145 Q CB -0.238 28.489 28.738 -0.017 0.000 0.929 145 Q HN 0.720 nan 8.270 nan 0.000 0.453 146 A N 0.717 123.483 122.820 -0.091 0.000 1.897 146 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 146 A C 1.841 179.375 177.584 -0.083 0.000 1.181 146 A CA 0.795 52.784 52.037 -0.080 0.000 0.620 146 A CB -0.709 18.242 19.000 -0.083 0.000 0.821 146 A HN 0.378 nan 8.150 nan 0.000 0.443 147 F N -0.184 119.510 119.950 -0.427 0.000 2.069 147 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 147 F C 2.206 178.050 175.800 0.073 0.000 1.113 147 F CA 2.443 60.304 58.000 -0.232 0.000 1.214 147 F CB -0.192 38.550 39.000 -0.429 0.000 0.978 147 F HN 0.263 nan 8.300 nan 0.000 0.474 148 M N 0.748 120.504 119.600 0.259 0.000 2.374 148 M HA -0.154 4.325 4.480 -0.000 0.000 0.264 148 M C 1.542 177.949 176.300 0.179 0.000 1.067 148 M CA 1.592 57.029 55.300 0.229 0.000 1.103 148 M CB -1.146 31.613 32.600 0.265 0.000 1.402 148 M HN 0.196 nan 8.290 nan 0.000 0.444 149 N N -0.630 118.137 118.700 0.110 0.000 2.519 149 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 149 N C 1.320 176.901 175.510 0.119 0.000 1.062 149 N CA 0.990 54.116 53.050 0.127 0.000 0.910 149 N CB 0.098 38.618 38.487 0.055 0.000 0.958 149 N HN 0.413 nan 8.380 nan 0.000 0.445 150 E N 0.125 120.290 120.200 -0.058 0.000 2.444 150 E HA 0.062 4.412 4.350 -0.000 0.000 0.203 150 E C 1.495 177.770 176.600 -0.542 0.000 0.847 150 E CA -0.112 56.101 56.400 -0.312 0.000 1.142 150 E CB -0.507 28.977 29.700 -0.361 0.000 1.125 150 E HN 0.048 nan 8.360 nan 0.000 0.521 151 L N 1.368 122.262 121.223 -0.549 0.000 2.079 151 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 151 L C 2.363 179.144 176.870 -0.148 0.000 1.081 151 L CA 2.256 56.854 54.840 -0.403 0.000 0.752 151 L CB -0.970 40.925 42.059 -0.274 0.000 0.896 151 L HN 0.453 nan 8.230 nan 0.000 0.433 152 Y N 0.988 121.255 120.300 -0.056 0.000 2.151 152 Y HA -0.312 4.238 4.550 -0.000 0.000 0.284 152 Y C 2.498 178.376 175.900 -0.037 0.000 1.166 152 Y CA 1.876 60.018 58.100 0.070 0.000 1.163 152 Y CB -1.290 37.207 38.460 0.062 0.000 0.974 152 Y HN 0.352 nan 8.280 nan 0.000 0.511 153 R N -0.007 119.740 120.500 -1.255 0.000 2.293 153 R HA -0.144 4.196 4.340 -0.000 0.000 0.219 153 R C 0.518 176.405 176.300 -0.688 0.000 1.091 153 R CA 1.966 57.420 56.100 -1.076 0.000 1.004 153 R CB -0.997 28.535 30.300 -1.280 0.000 0.865 153 R HN 0.618 nan 8.270 nan 0.000 0.469 154 H N 0.260 119.186 119.070 -0.240 0.000 2.705 154 H HA 0.320 4.876 4.556 -0.000 0.000 0.269 154 H C 0.661 175.984 175.328 -0.008 0.000 0.998 154 H CA 0.025 55.998 56.048 -0.125 0.000 1.193 154 H CB 0.463 30.116 29.762 -0.183 0.000 1.485 154 H HN 0.283 nan 8.280 nan 0.000 0.521 155 I N -1.721 118.921 120.570 0.119 0.000 3.023 155 I HA 0.888 5.058 4.170 -0.000 0.000 0.312 155 I C -0.007 176.217 176.117 0.179 0.000 1.056 155 I CA -1.031 60.361 61.300 0.154 0.000 1.033 155 I CB 2.465 40.542 38.000 0.129 0.000 1.233 155 I HN 0.077 nan 8.210 nan 0.000 0.462 156 G N 1.996 110.881 108.800 0.142 0.000 2.387 156 G HA2 0.380 4.340 3.960 -0.000 0.000 0.294 156 G HA3 0.380 4.340 3.960 -0.000 0.000 0.294 156 G C -2.933 172.039 174.900 0.120 0.000 1.509 156 G CA -0.655 44.538 45.100 0.154 0.000 0.806 156 G HN 0.373 nan 8.290 nan 0.000 0.546 157 P HA -0.050 nan 4.420 nan 0.000 0.216 157 P C 1.289 178.759 177.300 0.283 0.000 1.154 157 P CA 1.486 64.684 63.100 0.163 0.000 0.865 157 P CB 0.255 32.083 31.700 0.213 0.000 0.789 158 C N -2.332 117.102 119.300 0.223 0.000 2.760 158 C HA 0.308 4.768 4.460 -0.000 0.000 0.293 158 C C 1.704 176.750 174.990 0.092 0.000 1.383 158 C CA 0.208 59.320 59.018 0.156 0.000 1.771 158 C CB -1.416 26.386 27.740 0.104 0.000 2.353 158 C HN 0.283 nan 8.230 nan 0.000 0.578 159 T N -0.937 113.688 114.554 0.118 0.000 3.280 159 T HA 0.137 4.487 4.350 -0.000 0.000 0.256 159 T C -0.555 174.264 174.700 0.198 0.000 0.995 159 T CA 0.525 62.701 62.100 0.127 0.000 1.144 159 T CB 0.320 69.285 68.868 0.161 0.000 1.140 159 T HN 0.332 nan 8.240 nan 0.000 0.423 160 D N 1.081 121.612 120.400 0.218 0.000 2.591 160 D HA 0.316 4.956 4.640 -0.000 0.000 0.222 160 D C -1.531 174.862 176.300 0.154 0.000 1.360 160 D CA -0.337 53.824 54.000 0.267 0.000 0.967 160 D CB 1.434 42.431 40.800 0.328 0.000 1.456 160 D HN -0.006 nan 8.370 nan 0.000 0.588 161 V N 5.788 125.776 119.914 0.125 0.000 2.240 161 V HA 0.388 4.508 4.120 -0.000 0.000 0.265 161 V C -1.964 174.163 176.094 0.055 0.000 1.073 161 V CA -1.349 60.986 62.300 0.058 0.000 0.857 161 V CB 0.714 32.556 31.823 0.031 0.000 1.114 161 V HN 0.448 nan 8.190 nan 0.000 0.469 162 P HA 0.437 nan 4.420 nan 0.000 0.271 162 P C -0.118 177.193 177.300 0.018 0.000 1.244 162 P CA 0.238 63.380 63.100 0.071 0.000 0.793 162 P CB 0.927 32.700 31.700 0.123 0.000 0.984 163 A N 0.244 123.066 122.820 0.003 0.000 2.525 163 A HA 0.792 5.112 4.320 -0.000 0.000 0.291 163 A C -0.092 177.454 177.584 -0.065 0.000 1.268 163 A CA -0.197 51.815 52.037 -0.041 0.000 0.712 163 A CB 0.559 19.531 19.000 -0.046 0.000 1.320 163 A HN 0.533 nan 8.150 nan 0.000 0.456 164 G N -1.452 107.294 108.800 -0.090 0.000 2.557 164 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 164 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 164 G C -0.734 174.103 174.900 -0.104 0.000 1.237 164 G CA 0.490 45.518 45.100 -0.121 0.000 0.978 164 G HN 0.863 nan 8.290 nan 0.000 0.498 165 D N -2.099 118.229 120.400 -0.120 0.000 3.024 165 D HA -0.004 4.636 4.640 -0.000 0.000 0.354 165 D C -0.548 175.700 176.300 -0.086 0.000 1.431 165 D CA -0.669 53.279 54.000 -0.087 0.000 0.842 165 D CB 0.697 41.456 40.800 -0.068 0.000 1.437 165 D HN 0.273 nan 8.370 nan 0.000 0.507 166 I N 1.261 121.796 120.570 -0.060 0.000 2.741 166 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 166 I C 1.713 177.823 176.117 -0.011 0.000 1.192 166 I CA 1.840 63.115 61.300 -0.041 0.000 1.426 166 I CB 0.155 38.105 38.000 -0.084 0.000 1.367 166 I HN 0.796 nan 8.210 nan 0.000 0.563 167 G N 4.484 113.295 108.800 0.019 0.000 2.284 167 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.230 167 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.230 167 G C 0.113 174.970 174.900 -0.072 0.000 1.021 167 G CA -0.072 45.071 45.100 0.070 0.000 0.619 167 G HN 0.480 nan 8.290 nan 0.000 0.510 168 V N 1.995 121.775 119.914 -0.224 0.000 2.304 168 V HA 0.737 4.857 4.120 -0.000 0.000 0.278 168 V C 0.954 176.950 176.094 -0.164 0.000 1.018 168 V CA 0.131 62.249 62.300 -0.303 0.000 0.814 168 V CB 0.671 32.176 31.823 -0.530 0.000 1.021 168 V HN 0.787 nan 8.190 nan 0.000 0.440 169 G N 2.816 111.552 108.800 -0.107 0.000 2.940 169 G HA2 0.531 4.491 3.960 -0.000 0.000 0.164 169 G HA3 0.531 4.491 3.960 -0.000 0.000 0.164 169 G C 1.086 175.930 174.900 -0.093 0.000 1.326 169 G CA 0.191 45.239 45.100 -0.086 0.000 1.020 169 G HN 0.692 nan 8.290 nan 0.000 0.586 170 G N -0.758 107.990 108.800 -0.087 0.000 2.402 170 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 170 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 170 G C 1.717 176.565 174.900 -0.088 0.000 1.162 170 G CA 1.162 46.208 45.100 -0.090 0.000 0.777 170 G HN 0.536 nan 8.290 nan 0.000 0.539 171 R N 0.419 120.845 120.500 -0.124 0.000 2.083 171 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 171 R C 2.442 178.512 176.300 -0.384 0.000 1.137 171 R CA 1.901 57.840 56.100 -0.270 0.000 0.951 171 R CB -0.226 29.958 30.300 -0.193 0.000 0.851 171 R HN 0.280 nan 8.270 nan 0.000 0.434 172 E N 0.693 120.796 120.200 -0.161 0.000 2.031 172 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 172 E C 1.934 178.528 176.600 -0.010 0.000 0.994 172 E CA 1.495 57.865 56.400 -0.049 0.000 0.800 172 E CB -0.231 29.448 29.700 -0.035 0.000 0.752 172 E HN 0.394 nan 8.360 nan 0.000 0.447 173 I N 0.485 121.043 120.570 -0.020 0.000 2.423 173 I HA -0.214 3.956 4.170 -0.000 0.000 0.254 173 I C 2.131 178.375 176.117 0.212 0.000 1.151 173 I CA 1.153 62.493 61.300 0.066 0.000 1.421 173 I CB -0.371 37.633 38.000 0.006 0.000 1.079 173 I HN 0.199 nan 8.210 nan 0.000 0.431 174 G N -0.265 108.633 108.800 0.164 0.000 2.402 174 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 174 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 174 G C 1.511 176.506 174.900 0.159 0.000 1.162 174 G CA 0.447 45.701 45.100 0.258 0.000 0.777 174 G HN 0.397 nan 8.290 nan 0.000 0.539 175 Y N 0.030 120.405 120.300 0.125 0.000 2.337 175 Y HA 0.160 4.710 4.550 -0.000 0.000 0.293 175 Y C 2.706 178.663 175.900 0.096 0.000 1.123 175 Y CA -0.269 57.879 58.100 0.078 0.000 1.201 175 Y CB 0.019 38.527 38.460 0.081 0.000 1.011 175 Y HN 0.060 nan 8.280 nan 0.000 0.545 176 L N -1.236 120.155 121.223 0.281 0.000 2.056 176 L HA -0.251 4.089 4.340 -0.000 0.000 0.207 176 L C 2.327 179.355 176.870 0.263 0.000 1.078 176 L CA 1.333 56.328 54.840 0.258 0.000 0.749 176 L CB -0.584 41.614 42.059 0.232 0.000 0.901 176 L HN 0.259 nan 8.230 nan 0.000 0.433 177 Y N 0.844 121.209 120.300 0.109 0.000 2.200 177 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 177 Y C 2.317 178.240 175.900 0.039 0.000 1.137 177 Y CA 1.308 59.447 58.100 0.065 0.000 1.163 177 Y CB -0.706 37.781 38.460 0.044 0.000 0.988 177 Y HN 0.065 nan 8.280 nan 0.000 0.518 178 G N -0.448 108.357 108.800 0.010 0.000 2.446 178 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 178 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 178 G C 1.508 176.358 174.900 -0.083 0.000 1.168 178 G CA 1.172 46.215 45.100 -0.096 0.000 0.771 178 G HN 0.422 nan 8.290 nan 0.000 0.551 179 Q N -0.357 119.444 119.800 0.003 0.000 2.050 179 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 179 Q C 2.166 178.124 176.000 -0.070 0.000 0.980 179 Q CA 1.755 57.544 55.803 -0.022 0.000 0.840 179 Q CB -0.724 28.038 28.738 0.039 0.000 0.898 179 Q HN 0.599 nan 8.270 nan 0.000 0.424 180 Y N 0.995 121.219 120.300 -0.125 0.000 2.097 180 Y HA -0.293 4.257 4.550 -0.000 0.000 0.282 180 Y C 2.180 177.925 175.900 -0.258 0.000 1.152 180 Y CA 2.576 60.581 58.100 -0.159 0.000 1.136 180 Y CB -0.344 38.066 38.460 -0.085 0.000 0.975 180 Y HN 0.182 nan 8.280 nan 0.000 0.498 181 K N 0.242 120.485 120.400 -0.261 0.000 2.152 181 K HA -0.258 4.062 4.320 -0.000 0.000 0.206 181 K C 2.148 178.562 176.600 -0.310 0.000 1.048 181 K CA 1.766 57.846 56.287 -0.346 0.000 0.933 181 K CB -0.198 32.070 32.500 -0.387 0.000 0.721 181 K HN 0.186 nan 8.250 nan 0.000 0.447 182 K N 1.087 121.326 120.400 -0.268 0.000 2.062 182 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 182 K C 1.753 178.186 176.600 -0.278 0.000 1.051 182 K CA 1.416 57.570 56.287 -0.221 0.000 0.941 182 K CB -0.143 32.258 32.500 -0.166 0.000 0.719 182 K HN 0.240 nan 8.250 nan 0.000 0.440 183 I N -0.259 120.076 120.570 -0.391 0.000 2.235 183 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 183 I C 1.827 177.620 176.117 -0.540 0.000 1.085 183 I CA 0.754 61.754 61.300 -0.500 0.000 1.378 183 I CB 0.035 37.586 38.000 -0.748 0.000 1.076 183 I HN -0.087 nan 8.210 nan 0.000 0.415 184 V N -0.149 119.357 119.914 -0.680 0.000 2.871 184 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 184 V C 0.890 176.778 176.094 -0.343 0.000 1.082 184 V CA 0.962 62.932 62.300 -0.551 0.000 1.105 184 V CB -1.065 30.283 31.823 -0.792 0.000 0.713 184 V HN 0.680 nan 8.190 nan 0.000 0.473 185 N N 0.203 118.712 118.700 -0.318 0.000 2.753 185 N HA -0.182 4.558 4.740 -0.000 0.000 0.252 185 N C -0.312 175.140 175.510 -0.098 0.000 1.071 185 N CA 0.469 53.416 53.050 -0.172 0.000 0.690 185 N CB -0.704 37.707 38.487 -0.126 0.000 0.906 185 N HN 0.440 nan 8.380 nan 0.000 0.552 186 S N 0.829 116.475 115.700 -0.089 0.000 2.533 186 S HA 0.552 5.021 4.470 -0.000 0.000 0.271 186 S C -1.555 173.143 174.600 0.163 0.000 1.143 186 S CA -0.588 57.648 58.200 0.060 0.000 0.891 186 S CB 0.949 64.194 63.200 0.074 0.000 1.105 186 S HN 0.328 nan 8.310 nan 0.000 0.468 187 F N 5.587 125.605 119.950 0.114 0.000 2.311 187 F HA 0.591 5.118 4.527 -0.000 0.000 0.371 187 F C -0.175 175.784 175.800 0.265 0.000 1.083 187 F CA -0.277 57.839 58.000 0.194 0.000 1.113 187 F CB 0.234 39.344 39.000 0.184 0.000 1.349 187 F HN 0.762 nan 8.300 nan 0.000 0.470 188 N N 1.585 120.326 118.700 0.067 0.000 3.278 188 N HA 0.502 5.242 4.740 -0.000 0.000 0.307 188 N C -0.240 175.227 175.510 -0.071 0.000 1.551 188 N CA -0.875 52.203 53.050 0.046 0.000 0.794 188 N CB 0.783 39.338 38.487 0.113 0.000 1.770 188 N HN 0.271 nan 8.380 nan 0.000 0.612 189 G N -1.314 107.365 108.800 -0.202 0.000 3.782 189 G HA2 0.108 4.068 3.960 -0.000 0.000 0.288 189 G HA3 0.108 4.068 3.960 -0.000 0.000 0.288 189 G C 0.179 174.949 174.900 -0.217 0.000 1.300 189 G CA -0.227 44.700 45.100 -0.288 0.000 1.261 189 G HN 0.559 nan 8.290 nan 0.000 0.591 190 T N 0.560 115.017 114.554 -0.162 0.000 3.007 190 T HA 0.112 4.462 4.350 -0.000 0.000 0.270 190 T C 0.728 175.336 174.700 -0.154 0.000 1.107 190 T CA 0.787 62.764 62.100 -0.204 0.000 1.118 190 T CB -0.246 68.293 68.868 -0.548 0.000 0.889 190 T HN 0.160 nan 8.240 nan 0.000 0.506 191 L N 1.177 122.316 121.223 -0.139 0.000 2.431 191 L HA 0.420 4.760 4.340 -0.000 0.000 0.266 191 L C 0.135 176.899 176.870 -0.176 0.000 0.978 191 L CA -0.984 53.793 54.840 -0.105 0.000 0.822 191 L CB 2.465 44.509 42.059 -0.026 0.000 1.310 191 L HN 0.035 nan 8.230 nan 0.000 0.409 192 T N -2.140 112.328 114.554 -0.144 0.000 2.936 192 T HA 0.667 5.017 4.350 -0.000 0.000 0.282 192 T C 0.882 175.472 174.700 -0.183 0.000 1.003 192 T CA 0.059 62.050 62.100 -0.181 0.000 1.005 192 T CB 1.753 70.538 68.868 -0.139 0.000 1.097 192 T HN 0.982 nan 8.240 nan 0.000 0.532 193 G N 0.385 109.056 108.800 -0.216 0.000 2.141 193 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.242 193 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.242 193 G C 0.052 174.779 174.900 -0.289 0.000 0.982 193 G CA 0.205 45.178 45.100 -0.212 0.000 0.662 193 G HN 0.872 nan 8.290 nan 0.000 0.527 197 V N 2.501 122.134 119.914 -0.469 0.000 2.828 197 V HA -0.179 3.941 4.120 -0.000 0.000 0.260 197 V C 1.767 177.647 176.094 -0.357 0.000 1.101 197 V CA 1.529 63.632 62.300 -0.328 0.000 1.123 197 V CB -0.491 31.234 31.823 -0.162 0.000 0.704 197 V HN 0.637 nan 8.190 nan 0.000 0.493 198 K N -0.321 119.869 120.400 -0.351 0.000 2.365 198 K HA -0.024 4.296 4.320 -0.000 0.000 0.197 198 K C 0.784 177.408 176.600 0.039 0.000 1.042 198 K CA 0.770 56.977 56.287 -0.134 0.000 0.987 198 K CB 0.119 32.647 32.500 0.047 0.000 0.779 198 K HN 0.792 nan 8.250 nan 0.000 0.484 199 W N -0.682 120.610 121.300 -0.014 0.000 1.139 199 W HA 0.437 5.097 4.660 -0.000 0.000 0.302 199 W C -0.019 176.527 176.519 0.044 0.000 0.847 199 W CA -0.418 57.013 57.345 0.144 0.000 1.982 199 W CB -0.378 29.250 29.460 0.280 0.000 1.803 199 W HN 0.155 nan 8.180 nan 0.000 0.492 200 G N 0.138 108.896 108.800 -0.070 0.000 2.255 200 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.196 200 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.196 200 G C 0.556 175.266 174.900 -0.316 0.000 0.998 200 G CA -0.321 44.670 45.100 -0.180 0.000 0.656 200 G HN 0.689 nan 8.290 nan 0.000 0.490 201 G N 0.114 108.657 108.800 -0.428 0.000 2.667 201 G HA2 0.524 4.484 3.960 -0.000 0.000 0.250 201 G HA3 0.524 4.484 3.960 -0.000 0.000 0.250 201 G C 0.258 175.037 174.900 -0.201 0.000 1.212 201 G CA 1.056 45.930 45.100 -0.377 0.000 0.874 201 G HN 1.258 nan 8.290 nan 0.000 0.561 202 S N -0.569 115.007 115.700 -0.207 0.000 2.621 202 S HA 0.430 4.900 4.470 -0.000 0.000 0.302 202 S C 0.025 174.536 174.600 -0.148 0.000 1.093 202 S CA -1.004 57.083 58.200 -0.188 0.000 1.017 202 S CB 0.855 63.909 63.200 -0.242 0.000 1.077 202 S HN 0.564 nan 8.310 nan 0.000 0.517 203 N N 2.262 120.870 118.700 -0.155 0.000 2.467 203 N HA 0.313 5.053 4.740 -0.000 0.000 0.262 203 N C 0.595 176.036 175.510 -0.116 0.000 1.234 203 N CA -0.151 52.831 53.050 -0.113 0.000 0.952 203 N CB 0.373 38.802 38.487 -0.097 0.000 1.158 203 N HN 0.820 nan 8.380 nan 0.000 0.463 204 L N -0.897 120.248 121.223 -0.131 0.000 4.937 204 L HA -0.298 4.042 4.340 -0.000 0.000 0.422 204 L C 1.940 178.683 176.870 -0.213 0.000 1.059 204 L CA 0.486 55.227 54.840 -0.165 0.000 1.111 204 L CB -0.599 41.433 42.059 -0.045 0.000 2.033 204 L HN 0.689 nan 8.230 nan 0.000 0.708 205 R N 0.802 121.181 120.500 -0.201 0.000 2.127 205 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 205 R C 1.509 177.669 176.300 -0.232 0.000 1.134 205 R CA 2.274 58.254 56.100 -0.199 0.000 0.975 205 R CB 0.004 30.183 30.300 -0.202 0.000 0.865 205 R HN 0.417 nan 8.270 nan 0.000 0.447 206 V N 0.632 120.360 119.914 -0.310 0.000 2.685 206 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 206 V C 1.526 177.250 176.094 -0.617 0.000 1.054 206 V CA 1.373 63.448 62.300 -0.375 0.000 1.076 206 V CB 0.109 31.721 31.823 -0.352 0.000 0.725 206 V HN 0.257 nan 8.190 nan 0.000 0.467 207 E N 0.587 120.270 120.200 -0.863 0.000 2.371 207 E HA 0.090 4.439 4.350 -0.000 0.000 0.194 207 E C 2.130 178.283 176.600 -0.745 0.000 1.012 207 E CA 0.840 56.513 56.400 -1.211 0.000 0.860 207 E CB -0.377 28.362 29.700 -1.602 0.000 0.811 207 E HN 0.535 nan 8.360 nan 0.000 0.502 208 A N 0.783 123.378 122.820 -0.375 0.000 1.863 208 A HA -0.344 3.976 4.320 -0.000 0.000 0.218 208 A C 2.339 179.890 177.584 -0.056 0.000 1.233 208 A CA 2.684 54.645 52.037 -0.127 0.000 0.655 208 A CB -1.415 17.534 19.000 -0.085 0.000 0.839 208 A HN 0.307 nan 8.150 nan 0.000 0.454 209 T N -0.376 114.135 114.554 -0.072 0.000 2.622 209 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 209 T C 2.016 176.717 174.700 0.002 0.000 1.047 209 T CA 1.827 63.916 62.100 -0.019 0.000 1.159 209 T CB -1.043 67.811 68.868 -0.024 0.000 0.863 209 T HN 0.698 nan 8.240 nan 0.000 0.422 210 G N 0.210 108.995 108.800 -0.024 0.000 2.469 210 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 210 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 210 G C 1.311 176.258 174.900 0.079 0.000 1.136 210 G CA 0.797 45.910 45.100 0.021 0.000 0.759 210 G HN 0.427 nan 8.290 nan 0.000 0.562 211 Y N 1.064 121.296 120.300 -0.112 0.000 2.206 211 Y HA 0.081 4.631 4.550 -0.000 0.000 0.292 211 Y C 3.039 178.714 175.900 -0.374 0.000 1.123 211 Y CA 0.119 58.022 58.100 -0.329 0.000 1.142 211 Y CB -1.193 37.101 38.460 -0.276 0.000 1.006 211 Y HN 0.181 nan 8.280 nan 0.000 0.518 212 G N 0.323 109.194 108.800 0.119 0.000 2.469 212 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 212 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 212 G C 1.922 176.943 174.900 0.202 0.000 1.150 212 G CA 0.982 46.216 45.100 0.222 0.000 0.763 212 G HN 0.382 nan 8.290 nan 0.000 0.561 213 L N 0.219 121.522 121.223 0.133 0.000 1.971 213 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 213 L C 3.027 180.041 176.870 0.240 0.000 1.072 213 L CA 1.441 56.391 54.840 0.184 0.000 0.758 213 L CB -0.312 41.842 42.059 0.159 0.000 0.889 213 L HN 0.171 nan 8.230 nan 0.000 0.433 214 V N -1.017 118.947 119.914 0.083 0.000 2.407 214 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 214 V C 2.103 178.252 176.094 0.092 0.000 1.055 214 V CA 1.854 64.177 62.300 0.038 0.000 1.049 214 V CB -0.853 30.872 31.823 -0.162 0.000 0.662 214 V HN 0.441 nan 8.190 nan 0.000 0.455 215 Y N -1.369 119.006 120.300 0.124 0.000 2.181 215 Y HA -0.279 4.271 4.550 -0.000 0.000 0.288 215 Y C 2.382 178.330 175.900 0.080 0.000 1.146 215 Y CA 1.807 59.952 58.100 0.076 0.000 1.164 215 Y CB -0.336 38.178 38.460 0.089 0.000 0.982 215 Y HN 0.265 nan 8.280 nan 0.000 0.515 216 F N -0.037 120.028 119.950 0.191 0.000 2.134 216 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 216 F C 2.064 177.884 175.800 0.033 0.000 1.097 216 F CA 1.210 59.281 58.000 0.117 0.000 1.264 216 F CB -0.499 38.576 39.000 0.125 0.000 1.001 216 F HN -0.245 nan 8.300 nan 0.000 0.479 217 V N 0.126 120.140 119.914 0.166 0.000 2.667 217 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 217 V C 2.203 178.253 176.094 -0.073 0.000 1.065 217 V CA 1.395 63.723 62.300 0.046 0.000 1.083 217 V CB -0.483 31.466 31.823 0.210 0.000 0.692 217 V HN 0.394 nan 8.190 nan 0.000 0.468 218 L N 0.183 121.390 121.223 -0.028 0.000 2.093 218 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 218 L C 2.310 179.059 176.870 -0.202 0.000 1.085 218 L CA 1.918 56.722 54.840 -0.061 0.000 0.755 218 L CB -0.587 41.486 42.059 0.022 0.000 0.904 218 L HN 0.230 nan 8.230 nan 0.000 0.435 219 E N -0.700 119.310 120.200 -0.317 0.000 2.077 219 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 219 E C 2.168 178.167 176.600 -1.001 0.000 0.989 219 E CA 1.607 57.657 56.400 -0.582 0.000 0.800 219 E CB -0.376 28.967 29.700 -0.596 0.000 0.746 219 E HN 0.362 nan 8.360 nan 0.000 0.452 220 V N 0.506 119.818 119.914 -1.005 0.000 2.307 220 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 220 V C 2.396 178.303 176.094 -0.312 0.000 1.045 220 V CA 1.564 63.424 62.300 -0.733 0.000 1.024 220 V CB -0.496 31.142 31.823 -0.308 0.000 0.651 220 V HN 0.273 nan 8.190 nan 0.000 0.449 221 L N -0.502 120.579 121.223 -0.237 0.000 2.042 221 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 221 L C 2.623 179.418 176.870 -0.126 0.000 1.076 221 L CA 1.731 56.489 54.840 -0.137 0.000 0.749 221 L CB -0.687 41.318 42.059 -0.089 0.000 0.893 221 L HN 0.290 nan 8.230 nan 0.000 0.432 222 K N 0.007 120.310 120.400 -0.162 0.000 2.097 222 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 222 K C 2.269 178.824 176.600 -0.075 0.000 1.049 222 K CA 1.732 57.950 56.287 -0.116 0.000 0.933 222 K CB -0.148 32.275 32.500 -0.129 0.000 0.717 222 K HN 0.399 nan 8.250 nan 0.000 0.442 223 S N 0.374 116.025 115.700 -0.083 0.000 2.489 223 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 223 S C 1.624 176.290 174.600 0.111 0.000 0.995 223 S CA 0.439 58.680 58.200 0.068 0.000 0.934 223 S CB 0.100 63.435 63.200 0.226 0.000 0.771 223 S HN 0.088 nan 8.310 nan 0.000 0.522 224 L N 1.628 122.866 121.223 0.026 0.000 2.616 224 L HA 0.372 4.712 4.340 -0.000 0.000 0.229 224 L C 0.736 177.586 176.870 -0.034 0.000 1.110 224 L CA 0.770 55.593 54.840 -0.028 0.000 0.884 224 L CB -1.312 40.663 42.059 -0.140 0.000 1.115 224 L HN 0.517 nan 8.230 nan 0.000 0.481 225 N N 0.070 118.753 118.700 -0.029 0.000 2.815 225 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 225 N C -0.341 175.147 175.510 -0.036 0.000 1.114 225 N CA 0.364 53.397 53.050 -0.028 0.000 0.717 225 N CB -1.560 36.917 38.487 -0.017 0.000 1.074 225 N HN 0.315 nan 8.380 nan 0.000 0.555 226 I N 0.993 121.534 120.570 -0.048 0.000 2.301 226 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 226 I C -1.747 174.349 176.117 -0.036 0.000 1.046 226 I CA -1.893 59.381 61.300 -0.044 0.000 1.282 226 I CB 0.831 38.797 38.000 -0.056 0.000 1.409 226 I HN 0.007 nan 8.210 nan 0.000 0.484 227 P HA -0.087 nan 4.420 nan 0.000 0.255 227 P C 0.880 178.170 177.300 -0.016 0.000 1.173 227 P CA 0.314 63.401 63.100 -0.021 0.000 0.780 227 P CB 0.669 32.360 31.700 -0.015 0.000 0.758 228 V N 3.992 123.895 119.914 -0.019 0.000 2.515 228 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 228 V C 1.759 177.853 176.094 0.000 0.000 1.058 228 V CA 1.857 64.153 62.300 -0.008 0.000 1.064 228 V CB -0.666 31.148 31.823 -0.015 0.000 0.675 228 V HN 0.591 nan 8.190 nan 0.000 0.461 229 E N 0.003 120.198 120.200 -0.007 0.000 2.365 229 E HA -0.072 4.278 4.350 -0.000 0.000 0.188 229 E C 0.886 177.490 176.600 0.007 0.000 1.102 229 E CA 0.296 56.695 56.400 -0.002 0.000 0.927 229 E CB -0.120 29.574 29.700 -0.011 0.000 1.073 229 E HN 0.577 nan 8.360 nan 0.000 0.467 230 K N 0.211 120.618 120.400 0.010 0.000 2.533 230 K HA 0.176 4.496 4.320 -0.000 0.000 0.202 230 K C -0.088 176.526 176.600 0.024 0.000 1.096 230 K CA -0.282 56.014 56.287 0.015 0.000 1.056 230 K CB 0.846 33.350 32.500 0.007 0.000 0.890 230 K HN -0.056 nan 8.250 nan 0.000 0.552 231 Q N 0.535 120.354 119.800 0.032 0.000 2.205 231 Q HA 0.346 4.686 4.340 -0.000 0.000 0.249 231 Q C -0.733 175.307 176.000 0.067 0.000 0.948 231 Q CA 0.205 56.037 55.803 0.048 0.000 0.895 231 Q CB 1.857 30.629 28.738 0.057 0.000 1.249 231 Q HN -0.114 nan 8.270 nan 0.000 0.458 232 T N 0.921 115.525 114.554 0.083 0.000 2.841 232 T HA 0.825 5.175 4.350 -0.000 0.000 0.285 232 T C -1.230 173.551 174.700 0.136 0.000 0.991 232 T CA -0.601 61.560 62.100 0.101 0.000 0.966 232 T CB 1.273 70.198 68.868 0.095 0.000 0.962 232 T HN 0.582 nan 8.240 nan 0.000 0.438 233 A N 2.762 125.675 122.820 0.155 0.000 2.340 233 A HA 0.862 5.182 4.320 -0.000 0.000 0.331 233 A C -0.734 176.961 177.584 0.184 0.000 1.140 233 A CA -0.644 51.529 52.037 0.228 0.000 0.801 233 A CB 1.175 20.326 19.000 0.252 0.000 1.234 233 A HN 0.656 nan 8.150 nan 0.000 0.469 234 V N 2.525 122.576 119.914 0.227 0.000 2.444 234 V HA 0.511 4.631 4.120 -0.000 0.000 0.294 234 V C -0.546 175.639 176.094 0.152 0.000 1.022 234 V CA -0.361 62.009 62.300 0.116 0.000 0.850 234 V CB 1.507 33.375 31.823 0.075 0.000 0.992 234 V HN 0.701 nan 8.190 nan 0.000 0.426 235 V N 4.030 123.939 119.914 -0.010 0.000 2.680 235 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 235 V C 0.074 176.077 176.094 -0.151 0.000 1.052 235 V CA -0.467 61.839 62.300 0.011 0.000 0.908 235 V CB 2.423 34.209 31.823 -0.063 0.000 1.001 235 V HN 0.963 nan 8.190 nan 0.000 0.431 236 S N 2.018 117.683 115.700 -0.058 0.000 2.664 236 S HA 0.981 5.451 4.470 -0.000 0.000 0.304 236 S C 0.037 174.641 174.600 0.006 0.000 1.099 236 S CA -0.026 58.112 58.200 -0.103 0.000 1.003 236 S CB 1.740 64.924 63.200 -0.027 0.000 1.092 236 S HN 2.388 nan 8.310 nan 0.000 0.525 237 G N 0.366 109.172 108.800 0.009 0.000 2.746 237 G HA2 0.040 4.000 3.960 -0.000 0.000 0.685 237 G HA3 0.040 4.000 3.960 -0.000 0.000 0.685 237 G C -0.068 174.822 174.900 -0.018 0.000 1.350 237 G CA -0.233 44.880 45.100 0.021 0.000 0.837 237 G HN 1.455 nan 8.290 nan 0.000 0.564 238 S N 0.106 115.796 115.700 -0.015 0.000 2.993 238 S HA 0.483 4.953 4.470 -0.000 0.000 0.257 238 S C 1.187 175.759 174.600 -0.046 0.000 0.997 238 S CA 0.752 58.924 58.200 -0.046 0.000 1.191 238 S CB 0.453 63.642 63.200 -0.020 0.000 1.143 238 S HN 1.516 nan 8.310 nan 0.000 0.655 239 G N 1.718 110.503 108.800 -0.025 0.000 2.489 239 G HA2 0.154 4.114 3.960 -0.000 0.000 0.271 239 G HA3 0.154 4.114 3.960 -0.000 0.000 0.271 239 G C 0.517 175.405 174.900 -0.020 0.000 1.427 239 G CA -0.382 44.710 45.100 -0.014 0.000 1.057 239 G HN 0.404 nan 8.290 nan 0.000 0.532 240 N N -1.453 117.261 118.700 0.023 0.000 2.459 240 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 240 N C 2.172 177.753 175.510 0.119 0.000 1.046 240 N CA 0.257 53.373 53.050 0.110 0.000 0.904 240 N CB 0.129 38.678 38.487 0.104 0.000 0.964 240 N HN 0.189 nan 8.380 nan 0.000 0.444 241 V N 0.852 120.787 119.914 0.036 0.000 2.379 241 V HA -0.055 4.065 4.120 -0.000 0.000 0.243 241 V C 2.349 178.439 176.094 -0.008 0.000 1.035 241 V CA 1.670 63.985 62.300 0.025 0.000 1.035 241 V CB -0.757 31.080 31.823 0.023 0.000 0.673 241 V HN 0.244 nan 8.190 nan 0.000 0.457 242 A N -0.085 122.713 122.820 -0.037 0.000 1.898 242 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 242 A C 2.249 179.724 177.584 -0.181 0.000 1.181 242 A CA 1.505 53.489 52.037 -0.088 0.000 0.620 242 A CB -0.554 18.399 19.000 -0.078 0.000 0.819 242 A HN 0.460 nan 8.150 nan 0.000 0.442 243 L N -2.047 119.040 121.223 -0.227 0.000 2.012 243 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 243 L C 2.469 179.010 176.870 -0.549 0.000 1.073 243 L CA 1.721 56.305 54.840 -0.426 0.000 0.748 243 L CB -0.555 41.178 42.059 -0.542 0.000 0.891 243 L HN 0.541 nan 8.230 nan 0.000 0.431 244 Y N -2.155 118.062 120.300 -0.138 0.000 2.517 244 Y HA -0.135 4.415 4.550 -0.000 0.000 0.281 244 Y C 2.612 178.491 175.900 -0.034 0.000 1.125 244 Y CA 0.561 58.587 58.100 -0.123 0.000 1.283 244 Y CB -0.398 37.861 38.460 -0.334 0.000 1.042 244 Y HN 0.327 nan 8.280 nan 0.000 0.547 245 C N -0.713 118.572 119.300 -0.026 0.000 2.453 245 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 245 C C 2.518 177.384 174.990 -0.207 0.000 1.262 245 C CA 1.022 59.967 59.018 -0.121 0.000 1.718 245 C CB -1.108 26.510 27.740 -0.203 0.000 2.031 245 C HN 0.353 nan 8.230 nan 0.000 0.480 246 V N 0.795 120.572 119.914 -0.229 0.000 2.427 246 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 246 V C 2.647 178.667 176.094 -0.125 0.000 1.051 246 V CA 2.333 64.489 62.300 -0.239 0.000 1.048 246 V CB -0.981 30.650 31.823 -0.320 0.000 0.666 246 V HN 0.682 nan 8.190 nan 0.000 0.456 247 Q N -0.195 119.565 119.800 -0.067 0.000 2.084 247 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 247 Q C 2.286 178.355 176.000 0.115 0.000 0.978 247 Q CA 1.767 57.604 55.803 0.057 0.000 0.844 247 Q CB 0.009 28.831 28.738 0.140 0.000 0.898 247 Q HN 0.418 nan 8.270 nan 0.000 0.426 248 K N 0.287 120.754 120.400 0.113 0.000 2.155 248 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 248 K C 1.871 178.449 176.600 -0.036 0.000 1.052 248 K CA 0.738 57.011 56.287 -0.023 0.000 0.948 248 K CB -0.172 32.217 32.500 -0.186 0.000 0.728 248 K HN 0.209 nan 8.250 nan 0.000 0.448 249 L N 0.061 121.234 121.223 -0.083 0.000 2.046 249 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 249 L C 2.066 178.925 176.870 -0.018 0.000 1.077 249 L CA 1.115 55.895 54.840 -0.099 0.000 0.747 249 L CB -0.344 41.597 42.059 -0.196 0.000 0.896 249 L HN 0.177 nan 8.230 nan 0.000 0.432 250 L N -1.387 119.848 121.223 0.020 0.000 2.093 250 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 250 L C 2.583 179.520 176.870 0.111 0.000 1.085 250 L CA 1.265 56.147 54.840 0.070 0.000 0.755 250 L CB -0.819 41.302 42.059 0.103 0.000 0.904 250 L HN 0.396 nan 8.230 nan 0.000 0.435 251 H N 0.559 119.623 119.070 -0.010 0.000 2.387 251 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 251 H C 2.019 177.328 175.328 -0.031 0.000 1.090 251 H CA 0.890 56.921 56.048 -0.029 0.000 1.332 251 H CB 0.265 29.998 29.762 -0.048 0.000 1.386 251 H HN 0.278 nan 8.280 nan 0.000 0.516 252 L N 0.700 121.904 121.223 -0.032 0.000 2.627 252 L HA -0.040 4.300 4.340 -0.000 0.000 0.233 252 L C 0.126 176.966 176.870 -0.050 0.000 1.144 252 L CA 0.101 54.882 54.840 -0.099 0.000 0.892 252 L CB -0.080 41.939 42.059 -0.066 0.000 1.039 252 L HN 0.402 nan 8.230 nan 0.000 0.442 253 N N -0.638 118.055 118.700 -0.012 0.000 2.776 253 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 253 N C -0.393 175.125 175.510 0.013 0.000 1.111 253 N CA 0.361 53.414 53.050 0.005 0.000 0.711 253 N CB -1.564 36.917 38.487 -0.010 0.000 1.065 253 N HN 0.057 nan 8.380 nan 0.000 0.556 254 V N 0.698 120.621 119.914 0.015 0.000 2.567 254 V HA 0.201 4.321 4.120 -0.000 0.000 0.289 254 V C 0.940 177.058 176.094 0.041 0.000 1.049 254 V CA -0.628 61.687 62.300 0.025 0.000 0.969 254 V CB 2.032 33.862 31.823 0.012 0.000 0.995 254 V HN 0.085 nan 8.190 nan 0.000 0.471 255 K N 3.471 123.906 120.400 0.058 0.000 2.285 255 K HA 0.477 4.797 4.320 -0.000 0.000 0.286 255 K C -1.062 175.597 176.600 0.099 0.000 1.072 255 K CA -0.318 56.017 56.287 0.081 0.000 0.913 255 K CB 1.065 33.615 32.500 0.082 0.000 1.067 255 K HN 0.500 nan 8.250 nan 0.000 0.479 256 V N 7.024 127.010 119.914 0.119 0.000 2.427 256 V HA 0.173 4.293 4.120 -0.000 0.000 0.286 256 V C 0.853 177.120 176.094 0.289 0.000 1.034 256 V CA -0.446 61.923 62.300 0.116 0.000 0.893 256 V CB 1.462 33.273 31.823 -0.020 0.000 0.982 256 V HN 0.844 nan 8.190 nan 0.000 0.452 257 L N 3.595 124.981 121.223 0.271 0.000 2.609 257 L HA 0.258 4.598 4.340 -0.000 0.000 0.230 257 L C 0.905 178.123 176.870 0.580 0.000 1.087 257 L CA 0.503 55.587 54.840 0.407 0.000 0.874 257 L CB 0.633 42.927 42.059 0.393 0.000 1.114 257 L HN 0.870 nan 8.230 nan 0.000 0.488 258 T N -2.382 112.346 114.554 0.290 0.000 2.762 258 T HA 0.683 5.033 4.350 -0.000 0.000 0.301 258 T C -0.943 173.655 174.700 -0.170 0.000 1.299 258 T CA -0.624 61.610 62.100 0.224 0.000 1.005 258 T CB 2.381 71.321 68.868 0.119 0.000 1.377 258 T HN -0.095 nan 8.240 nan 0.000 0.504 259 L N 0.591 121.773 121.223 -0.069 0.000 2.720 259 L HA 0.791 5.131 4.340 -0.000 0.000 0.261 259 L C -0.898 175.989 176.870 0.029 0.000 1.046 259 L CA -1.017 53.736 54.840 -0.145 0.000 0.886 259 L CB 2.462 44.350 42.059 -0.284 0.000 1.493 259 L HN 1.211 nan 8.230 nan 0.000 0.407 260 S N -1.461 114.251 115.700 0.020 0.000 2.625 260 S HA 0.693 5.163 4.470 -0.000 0.000 0.271 260 S C -1.876 172.785 174.600 0.101 0.000 1.161 260 S CA -0.911 57.354 58.200 0.108 0.000 0.820 260 S CB 2.855 66.093 63.200 0.063 0.000 1.137 260 S HN 0.544 nan 8.310 nan 0.000 0.470 261 D N 0.140 120.634 120.400 0.157 0.000 2.490 261 D HA 0.487 5.127 4.640 -0.000 0.000 0.232 261 D C 1.091 177.472 176.300 0.135 0.000 1.053 261 D CA -0.260 53.822 54.000 0.135 0.000 0.914 261 D CB 2.411 43.308 40.800 0.161 0.000 1.431 261 D HN 0.597 nan 8.370 nan 0.000 0.483 262 S N 1.263 117.029 115.700 0.109 0.000 2.528 262 S HA -0.157 4.313 4.470 -0.000 0.000 0.244 262 S C 0.942 175.611 174.600 0.116 0.000 0.982 262 S CA 1.074 59.336 58.200 0.104 0.000 0.953 262 S CB -0.181 63.072 63.200 0.088 0.000 0.754 262 S HN 0.385 nan 8.310 nan 0.000 0.529 263 N N 0.868 119.660 118.700 0.152 0.000 2.432 263 N HA 0.443 5.183 4.740 -0.000 0.000 0.174 263 N C 0.639 176.267 175.510 0.197 0.000 1.037 263 N CA 0.809 53.968 53.050 0.181 0.000 0.892 263 N CB 0.697 39.315 38.487 0.219 0.000 1.049 263 N HN 0.581 nan 8.380 nan 0.000 0.442 264 G N -1.160 107.776 108.800 0.226 0.000 2.356 264 G HA2 0.338 4.298 3.960 -0.000 0.000 0.294 264 G HA3 0.338 4.298 3.960 -0.000 0.000 0.294 264 G C -2.132 172.870 174.900 0.170 0.000 1.423 264 G CA -0.899 44.197 45.100 -0.006 0.000 0.806 264 G HN 0.108 nan 8.290 nan 0.000 0.527 265 Y N -0.830 119.436 120.300 -0.056 0.000 2.549 265 Y HA 0.839 5.389 4.550 -0.000 0.000 0.339 265 Y C -0.562 175.508 175.900 0.284 0.000 1.053 265 Y CA -1.690 56.461 58.100 0.085 0.000 1.105 265 Y CB 2.004 40.417 38.460 -0.077 0.000 1.258 265 Y HN 0.688 nan 8.280 nan 0.000 0.478 266 V N 4.110 124.314 119.914 0.484 0.000 2.630 266 V HA 0.504 4.624 4.120 -0.000 0.000 0.305 266 V C -1.810 174.690 176.094 0.678 0.000 1.046 266 V CA -0.696 61.917 62.300 0.521 0.000 0.934 266 V CB 1.548 33.667 31.823 0.493 0.000 1.003 266 V HN 0.835 nan 8.190 nan 0.000 0.451 267 Y N 4.173 124.740 120.300 0.446 0.000 2.373 267 Y HA 0.594 5.144 4.550 -0.000 0.000 0.336 267 Y C -0.421 175.602 175.900 0.207 0.000 0.979 267 Y CA -0.894 57.448 58.100 0.403 0.000 1.080 267 Y CB 1.885 40.612 38.460 0.445 0.000 1.190 267 Y HN 0.586 nan 8.280 nan 0.000 0.446 268 E N 8.528 128.444 120.200 -0.473 0.000 2.101 268 E HA 0.255 4.605 4.350 -0.000 0.000 0.260 268 E C -2.135 174.005 176.600 -0.767 0.000 0.897 268 E CA -2.167 53.840 56.400 -0.655 0.000 0.744 268 E CB 1.656 30.797 29.700 -0.932 0.000 1.140 268 E HN 0.557 nan 8.360 nan 0.000 0.419 269 P HA -0.246 nan 4.420 nan 0.000 0.218 269 P C 0.947 178.129 177.300 -0.196 0.000 1.165 269 P CA 1.555 64.373 63.100 -0.470 0.000 0.922 269 P CB 0.276 31.864 31.700 -0.185 0.000 0.794 270 N N -1.279 117.330 118.700 -0.152 0.000 2.398 270 N HA 0.108 4.848 4.740 -0.000 0.000 0.188 270 N C 0.328 175.815 175.510 -0.039 0.000 1.122 270 N CA 0.435 53.447 53.050 -0.063 0.000 0.866 270 N CB 0.084 38.542 38.487 -0.048 0.000 0.970 270 N HN 0.116 nan 8.380 nan 0.000 0.462 271 G N 0.111 108.869 108.800 -0.071 0.000 2.619 271 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 271 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 271 G C -1.015 173.898 174.900 0.022 0.000 1.256 271 G CA -0.877 44.247 45.100 0.040 0.000 0.826 271 G HN 0.099 nan 8.290 nan 0.000 0.619 272 F N 0.363 120.320 119.950 0.010 0.000 2.370 272 F HA 0.709 5.236 4.527 -0.000 0.000 0.319 272 F C 1.409 177.232 175.800 0.039 0.000 1.129 272 F CA 0.365 58.381 58.000 0.027 0.000 1.109 272 F CB 1.933 40.928 39.000 -0.008 0.000 1.262 272 F HN 0.533 nan 8.300 nan 0.000 0.534 273 T N -0.274 114.427 114.554 0.245 0.000 2.924 273 T HA 0.149 4.499 4.350 -0.000 0.000 0.291 273 T C 0.566 175.366 174.700 0.167 0.000 1.045 273 T CA -0.353 61.849 62.100 0.170 0.000 1.015 273 T CB 1.428 70.364 68.868 0.114 0.000 1.103 273 T HN 0.629 nan 8.240 nan 0.000 0.496 274 H N 1.121 120.218 119.070 0.046 0.000 2.352 274 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 274 H C 2.106 177.416 175.328 -0.029 0.000 1.097 274 H CA 2.468 58.520 56.048 0.005 0.000 1.311 274 H CB 0.297 30.050 29.762 -0.014 0.000 1.377 274 H HN 0.764 nan 8.280 nan 0.000 0.504 275 E N 0.002 120.194 120.200 -0.014 0.000 2.051 275 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 275 E C 1.817 178.298 176.600 -0.198 0.000 0.991 275 E CA 1.379 57.673 56.400 -0.176 0.000 0.799 275 E CB -0.136 29.487 29.700 -0.129 0.000 0.748 275 E HN 0.706 nan 8.360 nan 0.000 0.449 276 N N 0.837 119.584 118.700 0.078 0.000 2.069 276 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 276 N C 2.083 177.762 175.510 0.282 0.000 1.031 276 N CA 0.939 54.215 53.050 0.376 0.000 0.852 276 N CB -0.167 38.589 38.487 0.449 0.000 1.018 276 N HN 0.174 nan 8.380 nan 0.000 0.423 277 L N 1.476 122.757 121.223 0.097 0.000 2.191 277 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 277 L C 1.821 178.607 176.870 -0.140 0.000 1.103 277 L CA 1.444 56.251 54.840 -0.055 0.000 0.769 277 L CB -0.245 41.729 42.059 -0.141 0.000 0.908 277 L HN 0.251 nan 8.230 nan 0.000 0.438 278 E N -0.439 119.629 120.200 -0.221 0.000 2.152 278 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 278 E C 2.085 178.598 176.600 -0.145 0.000 0.983 278 E CA 0.962 57.205 56.400 -0.263 0.000 0.818 278 E CB -0.219 29.250 29.700 -0.385 0.000 0.758 278 E HN 0.496 nan 8.360 nan 0.000 0.467 279 F N 0.856 120.757 119.950 -0.083 0.000 2.060 279 F HA -0.151 4.376 4.527 -0.000 0.000 0.295 279 F C 2.455 178.289 175.800 0.058 0.000 1.120 279 F CA 0.555 58.496 58.000 -0.098 0.000 1.205 279 F CB -0.329 38.598 39.000 -0.122 0.000 0.986 279 F HN -0.055 nan 8.300 nan 0.000 0.470 280 L N 0.004 121.413 121.223 0.310 0.000 2.043 280 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 280 L C 2.244 179.134 176.870 0.033 0.000 1.075 280 L CA 1.322 56.243 54.840 0.134 0.000 0.752 280 L CB -0.595 41.449 42.059 -0.026 0.000 0.891 280 L HN 0.276 nan 8.230 nan 0.000 0.432 281 I N 0.043 120.592 120.570 -0.034 0.000 2.186 281 I HA -0.256 3.914 4.170 -0.000 0.000 0.228 281 I C 0.988 177.094 176.117 -0.018 0.000 1.062 281 I CA 1.458 62.705 61.300 -0.089 0.000 1.347 281 I CB 0.072 37.963 38.000 -0.181 0.000 1.122 281 I HN 0.139 nan 8.210 nan 0.000 0.402 282 D N 0.198 120.591 120.400 -0.011 0.000 2.941 282 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 282 D C 0.652 176.989 176.300 0.061 0.000 1.147 282 D CA 0.414 54.425 54.000 0.018 0.000 0.975 282 D CB -0.098 40.701 40.800 -0.002 0.000 1.162 282 D HN 0.345 nan 8.370 nan 0.000 0.444 283 L N -0.658 120.612 121.223 0.079 0.000 1.301 283 L HA 0.073 4.413 4.340 -0.000 0.000 0.088 283 L C 0.435 177.359 176.870 0.091 0.000 1.466 283 L CA -0.295 54.614 54.840 0.114 0.000 1.141 283 L CB 0.135 42.322 42.059 0.213 0.000 2.338 283 L HN -0.169 nan 8.230 nan 0.000 0.453 284 K N 1.150 121.606 120.400 0.094 0.000 3.165 284 K HA 0.166 4.486 4.320 -0.000 0.000 0.259 284 K C 0.117 176.736 176.600 0.031 0.000 1.282 284 K CA 0.287 56.611 56.287 0.061 0.000 1.259 284 K CB 0.686 33.229 32.500 0.071 0.000 1.546 284 K HN 0.196 nan 8.250 nan 0.000 0.384 285 E N -0.533 119.684 120.200 0.029 0.000 1.338 285 E HA -0.090 4.260 4.350 -0.000 0.000 0.206 285 E C 0.930 177.545 176.600 0.025 0.000 0.983 285 E CA 0.270 56.681 56.400 0.018 0.000 1.002 285 E CB -0.180 29.521 29.700 0.001 0.000 4.624 285 E HN 0.126 nan 8.360 nan 0.000 0.692 286 E N 0.933 121.152 120.200 0.032 0.000 2.250 286 E HA 0.103 4.453 4.350 -0.000 0.000 0.192 286 E C 1.534 178.156 176.600 0.037 0.000 0.986 286 E CA 1.348 57.768 56.400 0.034 0.000 0.849 286 E CB 0.308 30.031 29.700 0.038 0.000 0.797 286 E HN 0.153 nan 8.360 nan 0.000 0.482 287 K N 0.171 120.595 120.400 0.041 0.000 2.435 287 K HA 0.086 4.406 4.320 -0.000 0.000 0.199 287 K C -0.267 176.353 176.600 0.032 0.000 1.153 287 K CA 0.303 56.613 56.287 0.039 0.000 0.974 287 K CB 0.457 32.984 32.500 0.045 0.000 0.997 287 K HN -0.076 nan 8.250 nan 0.000 0.547 288 K N 0.920 121.339 120.400 0.031 0.000 3.200 288 K HA -0.123 4.197 4.320 -0.000 0.000 0.272 288 K C 0.381 176.995 176.600 0.022 0.000 1.150 288 K CA 0.205 56.508 56.287 0.027 0.000 0.801 288 K CB -1.826 30.689 32.500 0.027 0.000 1.269 288 K HN 0.522 nan 8.250 nan 0.000 0.500 289 G N 0.662 109.475 108.800 0.022 0.000 2.481 289 G HA2 0.272 4.232 3.960 -0.000 0.000 0.251 289 G HA3 0.272 4.232 3.960 -0.000 0.000 0.251 289 G C -0.234 174.668 174.900 0.003 0.000 1.492 289 G CA -0.509 44.596 45.100 0.008 0.000 1.060 289 G HN 0.197 nan 8.290 nan 0.000 0.553 290 R N -0.847 119.641 120.500 -0.020 0.000 2.494 290 R HA 0.325 4.665 4.340 -0.000 0.000 0.305 290 R C 0.844 177.113 176.300 -0.052 0.000 0.959 290 R CA -0.788 55.293 56.100 -0.031 0.000 0.864 290 R CB 2.185 32.449 30.300 -0.061 0.000 1.159 290 R HN 0.441 nan 8.270 nan 0.000 0.446 291 I N 2.510 123.072 120.570 -0.014 0.000 2.908 291 I HA -0.313 3.857 4.170 -0.000 0.000 0.271 291 I C 1.485 177.559 176.117 -0.072 0.000 1.275 291 I CA 1.543 62.855 61.300 0.020 0.000 1.446 291 I CB 0.093 38.154 38.000 0.100 0.000 1.092 291 I HN 0.575 nan 8.210 nan 0.000 0.482 292 K N 0.486 120.688 120.400 -0.330 0.000 2.097 292 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 292 K C 1.695 178.132 176.600 -0.273 0.000 1.050 292 K CA 1.500 57.436 56.287 -0.584 0.000 0.938 292 K CB -0.094 32.000 32.500 -0.677 0.000 0.718 292 K HN 0.420 nan 8.250 nan 0.000 0.442 293 E N -0.097 119.990 120.200 -0.188 0.000 2.331 293 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 293 E C 1.434 177.908 176.600 -0.211 0.000 1.008 293 E CA 0.743 57.024 56.400 -0.198 0.000 0.843 293 E CB -0.184 29.422 29.700 -0.156 0.000 0.761 293 E HN 0.393 nan 8.360 nan 0.000 0.507 294 Y N 1.038 121.231 120.300 -0.180 0.000 2.241 294 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 294 Y C 1.718 177.514 175.900 -0.173 0.000 1.166 294 Y CA 0.971 59.016 58.100 -0.093 0.000 1.203 294 Y CB 0.067 38.557 38.460 0.050 0.000 0.977 294 Y HN 0.031 nan 8.280 nan 0.000 0.529 295 L N 0.274 121.319 121.223 -0.296 0.000 2.275 295 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 295 L C 1.464 178.091 176.870 -0.406 0.000 1.119 295 L CA 0.762 55.388 54.840 -0.357 0.000 0.790 295 L CB -0.556 41.374 42.059 -0.214 0.000 0.919 295 L HN 0.301 nan 8.230 nan 0.000 0.443 296 N N -0.887 117.526 118.700 -0.478 0.000 2.571 296 N HA -0.115 4.625 4.740 -0.000 0.000 0.189 296 N C 1.331 176.490 175.510 -0.584 0.000 1.154 296 N CA 0.821 53.574 53.050 -0.495 0.000 0.907 296 N CB -0.042 38.129 38.487 -0.526 0.000 0.977 296 N HN 0.475 nan 8.380 nan 0.000 0.449 297 H N -1.601 117.104 119.070 -0.608 0.000 2.800 297 H HA 0.229 4.785 4.556 -0.000 0.000 0.257 297 H C 0.130 175.117 175.328 -0.567 0.000 0.967 297 H CA 0.053 55.577 56.048 -0.873 0.000 1.192 297 H CB 0.457 29.268 29.762 -1.586 0.000 1.441 297 H HN -0.052 nan 8.280 nan 0.000 0.461 298 S N 1.218 116.609 115.700 -0.515 0.000 2.566 298 S HA 0.222 4.692 4.470 -0.000 0.000 0.324 298 S C 1.028 175.451 174.600 -0.295 0.000 1.081 298 S CA -0.295 57.669 58.200 -0.394 0.000 1.105 298 S CB 0.774 63.621 63.200 -0.587 0.000 0.981 298 S HN 0.335 nan 8.310 nan 0.000 0.464 299 S N 3.074 118.667 115.700 -0.179 0.000 2.522 299 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 299 S C 1.415 175.945 174.600 -0.117 0.000 0.986 299 S CA 0.979 59.098 58.200 -0.136 0.000 0.929 299 S CB -0.200 62.945 63.200 -0.092 0.000 0.769 299 S HN 0.638 nan 8.310 nan 0.000 0.529 300 T N 1.139 115.617 114.554 -0.128 0.000 3.044 300 T HA 0.561 4.911 4.350 -0.000 0.000 0.250 300 T C 0.770 175.405 174.700 -0.109 0.000 1.081 300 T CA 0.390 62.428 62.100 -0.104 0.000 1.040 300 T CB -0.369 68.441 68.868 -0.098 0.000 0.962 300 T HN 0.612 nan 8.240 nan 0.000 0.506 301 A N 1.787 124.525 122.820 -0.136 0.000 2.267 301 A HA 0.683 5.003 4.320 -0.000 0.000 0.271 301 A C -0.350 177.240 177.584 0.009 0.000 1.131 301 A CA -0.434 51.571 52.037 -0.054 0.000 0.818 301 A CB 0.419 19.387 19.000 -0.052 0.000 1.118 301 A HN 0.576 nan 8.150 nan 0.000 0.501 302 K N -0.536 119.940 120.400 0.126 0.000 2.570 302 K HA 0.415 4.735 4.320 -0.000 0.000 0.256 302 K C -1.739 174.941 176.600 0.135 0.000 0.939 302 K CA -0.504 55.823 56.287 0.066 0.000 0.833 302 K CB 1.238 33.773 32.500 0.058 0.000 1.318 302 K HN 0.664 nan 8.250 nan 0.000 0.433 303 Y N 1.995 122.184 120.300 -0.184 0.000 2.419 303 Y HA 0.594 5.144 4.550 -0.000 0.000 0.328 303 Y C -1.301 174.316 175.900 -0.471 0.000 1.162 303 Y CA -1.024 56.983 58.100 -0.154 0.000 1.174 303 Y CB 1.134 39.542 38.460 -0.086 0.000 1.228 303 Y HN 0.559 nan 8.280 nan 0.000 0.473 304 F N 5.505 124.847 119.950 -1.013 0.000 2.513 304 F HA 0.421 4.948 4.527 -0.000 0.000 0.358 304 F C -2.450 172.773 175.800 -0.961 0.000 1.118 304 F CA -2.633 54.861 58.000 -0.843 0.000 1.037 304 F CB 1.159 39.616 39.000 -0.905 0.000 1.276 304 F HN 0.354 nan 8.300 nan 0.000 0.446 305 P HA 0.032 nan 4.420 nan 0.000 0.268 305 P C -0.114 177.104 177.300 -0.137 0.000 1.205 305 P CA 0.251 63.149 63.100 -0.337 0.000 0.771 305 P CB 0.390 32.041 31.700 -0.081 0.000 0.858 306 N N 0.290 118.957 118.700 -0.055 0.000 2.714 306 N HA -0.213 4.527 4.740 -0.000 0.000 0.252 306 N C -0.426 175.108 175.510 0.039 0.000 1.014 306 N CA 1.278 54.338 53.050 0.017 0.000 0.735 306 N CB -0.916 37.588 38.487 0.029 0.000 0.924 306 N HN 0.644 nan 8.380 nan 0.000 0.540 307 E N -0.317 119.918 120.200 0.059 0.000 2.393 307 E HA 0.420 4.770 4.350 -0.000 0.000 0.273 307 E C -0.497 176.204 176.600 0.168 0.000 0.918 307 E CA -0.788 55.690 56.400 0.130 0.000 0.773 307 E CB 2.036 31.854 29.700 0.196 0.000 1.275 307 E HN 0.030 nan 8.360 nan 0.000 0.451 308 K N 0.867 121.273 120.400 0.010 0.000 2.185 308 K HA 0.331 4.651 4.320 -0.000 0.000 0.240 308 K C -2.038 174.070 176.600 -0.819 0.000 0.983 308 K CA -1.872 54.237 56.287 -0.297 0.000 0.873 308 K CB 1.155 33.539 32.500 -0.193 0.000 1.118 308 K HN 0.116 nan 8.250 nan 0.000 0.441 309 P HA -0.050 nan 4.420 nan 0.000 0.233 309 P C 0.014 176.725 177.300 -0.983 0.000 1.167 309 P CA 0.632 62.775 63.100 -1.596 0.000 0.770 309 P CB 0.064 30.981 31.700 -1.305 0.000 0.837 310 W N -0.036 121.092 121.300 -0.286 0.000 2.389 310 W HA -0.059 4.601 4.660 -0.000 0.000 0.267 310 W C 2.094 178.528 176.519 -0.143 0.000 1.219 310 W CA 0.503 57.758 57.345 -0.151 0.000 1.189 310 W CB -1.282 28.138 29.460 -0.067 0.000 1.129 310 W HN 0.028 nan 8.180 nan 0.000 0.581 311 G N 0.039 108.789 108.800 -0.082 0.000 2.985 311 G HA2 0.089 4.049 3.960 -0.000 0.000 0.209 311 G HA3 0.089 4.049 3.960 -0.000 0.000 0.209 311 G C 0.129 174.956 174.900 -0.121 0.000 1.165 311 G CA -0.176 44.881 45.100 -0.071 0.000 0.776 311 G HN -0.007 nan 8.290 nan 0.000 0.541 312 V N 2.241 122.040 119.914 -0.193 0.000 2.432 312 V HA 0.225 4.345 4.120 -0.000 0.000 0.271 312 V C -1.988 174.083 176.094 -0.039 0.000 1.046 312 V CA -1.797 60.398 62.300 -0.175 0.000 0.945 312 V CB 1.429 33.096 31.823 -0.259 0.000 0.992 312 V HN 0.014 nan 8.190 nan 0.000 0.471 313 P HA 0.168 nan 4.420 nan 0.000 0.262 313 P C -0.340 176.999 177.300 0.065 0.000 1.182 313 P CA 0.181 63.304 63.100 0.037 0.000 0.761 313 P CB 0.226 31.947 31.700 0.036 0.000 0.795 314 C N 0.347 119.691 119.300 0.074 0.000 3.314 314 C HA 0.684 5.144 4.460 -0.000 0.000 0.344 314 C C 1.407 176.436 174.990 0.065 0.000 1.461 314 C CA 0.318 59.388 59.018 0.086 0.000 1.249 314 C CB 1.245 29.053 27.740 0.114 0.000 1.632 314 C HN 0.599 nan 8.230 nan 0.000 0.452 315 T N -1.375 113.215 114.554 0.061 0.000 2.999 315 T HA 0.354 4.704 4.350 -0.000 0.000 0.247 315 T C 0.204 174.906 174.700 0.004 0.000 1.012 315 T CA 0.176 62.294 62.100 0.029 0.000 1.048 315 T CB -0.183 68.703 68.868 0.029 0.000 1.020 315 T HN 0.706 nan 8.240 nan 0.000 0.478 316 L N 1.848 123.097 121.223 0.044 0.000 2.341 316 L HA 0.827 5.166 4.340 -0.000 0.000 0.278 316 L C -0.585 176.290 176.870 0.008 0.000 1.005 316 L CA -1.384 53.448 54.840 -0.014 0.000 0.818 316 L CB 1.923 44.086 42.059 0.175 0.000 1.259 316 L HN 0.214 nan 8.230 nan 0.000 0.418 317 A N 3.054 125.743 122.820 -0.217 0.000 2.318 317 A HA 0.805 5.125 4.320 -0.000 0.000 0.317 317 A C -1.140 176.292 177.584 -0.252 0.000 1.159 317 A CA -0.271 51.755 52.037 -0.018 0.000 0.799 317 A CB 0.475 19.457 19.000 -0.030 0.000 1.194 317 A HN 0.545 nan 8.150 nan 0.000 0.479 318 F N 3.152 123.215 119.950 0.188 0.000 2.453 318 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 318 F C -2.437 173.501 175.800 0.229 0.000 1.129 318 F CA -2.303 55.771 58.000 0.123 0.000 1.200 318 F CB 1.736 40.768 39.000 0.053 0.000 1.431 318 F HN 0.301 nan 8.300 nan 0.000 0.503 319 P HA 0.060 nan 4.420 nan 0.000 0.267 319 P C -0.161 177.278 177.300 0.232 0.000 1.328 319 P CA 0.251 63.574 63.100 0.372 0.000 0.990 319 P CB 0.113 31.887 31.700 0.123 0.000 1.168 320 C N 3.235 122.664 119.300 0.216 0.000 2.741 320 C HA 0.560 5.019 4.460 -0.000 0.000 0.267 320 C C 1.575 176.627 174.990 0.103 0.000 1.549 320 C CA 0.109 59.204 59.018 0.129 0.000 1.772 320 C CB -1.122 26.675 27.740 0.094 0.000 2.962 320 C HN 0.491 nan 8.230 nan 0.000 0.514 321 A N 1.576 124.477 122.820 0.135 0.000 2.759 321 A HA 0.698 5.018 4.320 -0.000 0.000 0.214 321 A C 0.952 178.594 177.584 0.097 0.000 2.342 321 A CA 0.957 53.061 52.037 0.111 0.000 1.364 321 A CB -0.578 18.504 19.000 0.138 0.000 1.221 321 A HN 0.466 nan 8.150 nan 0.000 0.468 322 T N -2.279 112.343 114.554 0.114 0.000 2.807 322 T HA 0.556 4.906 4.350 -0.000 0.000 0.277 322 T C -0.535 174.227 174.700 0.102 0.000 1.006 322 T CA -0.711 61.445 62.100 0.094 0.000 1.006 322 T CB 0.779 69.700 68.868 0.088 0.000 1.274 322 T HN 0.413 nan 8.240 nan 0.000 0.569 323 Q N 1.335 121.190 119.800 0.093 0.000 2.332 323 Q HA 0.244 4.584 4.340 -0.000 0.000 0.263 323 Q C -0.069 175.981 176.000 0.084 0.000 0.979 323 Q CA -0.320 55.542 55.803 0.098 0.000 0.885 323 Q CB 0.310 29.112 28.738 0.106 0.000 1.218 323 Q HN 0.707 nan 8.270 nan 0.000 0.405 324 N N 1.695 120.440 118.700 0.076 0.000 2.747 324 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 324 N C 0.064 175.616 175.510 0.069 0.000 1.107 324 N CA 0.853 53.935 53.050 0.053 0.000 0.707 324 N CB -0.670 37.838 38.487 0.035 0.000 1.054 324 N HN 0.699 nan 8.380 nan 0.000 0.555 325 D N 0.486 120.947 120.400 0.102 0.000 2.087 325 D HA -0.043 4.597 4.640 -0.000 0.000 0.192 325 D C 0.518 176.898 176.300 0.132 0.000 0.993 325 D CA 1.167 55.273 54.000 0.178 0.000 0.828 325 D CB 0.206 41.155 40.800 0.248 0.000 0.968 325 D HN 0.192 nan 8.370 nan 0.000 0.448 326 V N 2.351 122.228 119.914 -0.062 0.000 2.455 326 V HA 0.200 4.320 4.120 -0.000 0.000 0.273 326 V C 0.150 176.154 176.094 -0.150 0.000 1.045 326 V CA -0.386 61.730 62.300 -0.308 0.000 0.976 326 V CB 1.038 32.575 31.823 -0.478 0.000 0.993 326 V HN 0.262 nan 8.190 nan 0.000 0.475 327 D N 3.719 124.042 120.400 -0.128 0.000 2.595 327 D HA 0.241 4.881 4.640 -0.000 0.000 0.268 327 D C 1.206 177.404 176.300 -0.170 0.000 1.181 327 D CA -0.764 53.172 54.000 -0.107 0.000 1.085 327 D CB 0.710 41.482 40.800 -0.046 0.000 1.186 327 D HN 0.239 nan 8.370 nan 0.000 0.621 328 L N -0.364 120.768 121.223 -0.152 0.000 2.017 328 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 328 L C 1.247 178.022 176.870 -0.159 0.000 1.073 328 L CA 1.870 56.599 54.840 -0.185 0.000 0.745 328 L CB -0.327 41.648 42.059 -0.139 0.000 0.894 328 L HN 0.393 nan 8.230 nan 0.000 0.432 329 D N -0.736 119.607 120.400 -0.095 0.000 2.178 329 D HA -0.207 4.433 4.640 -0.000 0.000 0.202 329 D C 2.121 178.393 176.300 -0.047 0.000 0.974 329 D CA 1.130 55.094 54.000 -0.060 0.000 0.841 329 D CB 0.063 40.848 40.800 -0.025 0.000 0.953 329 D HN 0.532 nan 8.370 nan 0.000 0.478 330 Q N 0.453 120.224 119.800 -0.049 0.000 2.172 330 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 330 Q C 2.149 178.105 176.000 -0.073 0.000 0.964 330 Q CA 1.098 56.894 55.803 -0.011 0.000 0.855 330 Q CB 0.006 28.726 28.738 -0.029 0.000 0.918 330 Q HN 0.167 nan 8.270 nan 0.000 0.444 331 A N 1.020 123.710 122.820 -0.216 0.000 2.066 331 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 331 A C 1.757 179.226 177.584 -0.190 0.000 1.157 331 A CA 1.017 52.834 52.037 -0.367 0.000 0.670 331 A CB -0.084 18.296 19.000 -1.035 0.000 0.804 331 A HN 0.141 nan 8.150 nan 0.000 0.453 332 K N -0.306 120.010 120.400 -0.139 0.000 2.062 332 K HA 0.077 4.397 4.320 -0.000 0.000 0.205 332 K C 1.775 178.370 176.600 -0.010 0.000 1.051 332 K CA 1.018 57.261 56.287 -0.074 0.000 0.941 332 K CB -0.296 32.161 32.500 -0.071 0.000 0.719 332 K HN 0.437 nan 8.250 nan 0.000 0.440 333 L N 1.004 122.235 121.223 0.013 0.000 1.994 333 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 333 L C 2.409 179.321 176.870 0.070 0.000 1.071 333 L CA 1.207 56.073 54.840 0.042 0.000 0.745 333 L CB -0.608 41.488 42.059 0.062 0.000 0.892 333 L HN 0.166 nan 8.230 nan 0.000 0.431 334 L N -0.562 120.728 121.223 0.111 0.000 2.013 334 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 334 L C 2.870 179.817 176.870 0.128 0.000 1.073 334 L CA 1.282 56.212 54.840 0.149 0.000 0.753 334 L CB -0.631 41.561 42.059 0.221 0.000 0.890 334 L HN 0.410 nan 8.230 nan 0.000 0.432 335 Q N 1.484 121.361 119.800 0.128 0.000 2.020 335 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 335 Q C 2.086 178.119 176.000 0.056 0.000 0.982 335 Q CA 2.329 58.192 55.803 0.100 0.000 0.838 335 Q CB -0.126 28.648 28.738 0.059 0.000 0.899 335 Q HN 0.638 nan 8.270 nan 0.000 0.423 336 K N -0.869 119.553 120.400 0.037 0.000 2.439 336 K HA -0.015 4.305 4.320 -0.000 0.000 0.197 336 K C 0.995 177.613 176.600 0.030 0.000 1.041 336 K CA 1.085 57.387 56.287 0.025 0.000 0.970 336 K CB 0.044 32.553 32.500 0.014 0.000 0.773 336 K HN 0.028 nan 8.250 nan 0.000 0.479 337 N N 0.389 119.114 118.700 0.041 0.000 2.336 337 N HA 0.058 4.798 4.740 -0.000 0.000 0.189 337 N C 0.744 176.278 175.510 0.040 0.000 1.113 337 N CA 0.950 54.024 53.050 0.039 0.000 0.858 337 N CB 1.191 39.705 38.487 0.045 0.000 0.970 337 N HN 0.568 nan 8.380 nan 0.000 0.471 338 G N -0.019 108.805 108.800 0.040 0.000 2.192 338 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.193 338 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.193 338 G C 0.285 175.202 174.900 0.029 0.000 0.999 338 G CA -0.119 45.000 45.100 0.032 0.000 0.659 338 G HN 0.425 nan 8.290 nan 0.000 0.503 339 C N 1.732 121.056 119.300 0.039 0.000 2.538 339 C HA 0.458 4.918 4.460 -0.000 0.000 0.408 339 C C 2.295 177.280 174.990 -0.009 0.000 1.421 339 C CA 0.883 59.911 59.018 0.017 0.000 1.642 339 C CB -0.848 26.910 27.740 0.031 0.000 2.553 339 C HN 0.832 nan 8.230 nan 0.000 0.604 340 I N 3.472 124.016 120.570 -0.044 0.000 4.323 340 I HA 0.465 4.635 4.170 -0.000 0.000 0.328 340 I C -0.065 175.992 176.117 -0.100 0.000 1.310 340 I CA 0.130 61.397 61.300 -0.056 0.000 1.186 340 I CB -0.063 37.907 38.000 -0.050 0.000 1.130 340 I HN 0.599 nan 8.210 nan 0.000 0.411 341 L N 0.968 122.097 121.223 -0.157 0.000 2.518 341 L HA 0.699 5.039 4.340 -0.000 0.000 0.257 341 L C -1.894 174.755 176.870 -0.369 0.000 0.980 341 L CA -0.707 54.002 54.840 -0.219 0.000 0.837 341 L CB 2.608 44.565 42.059 -0.170 0.000 1.410 341 L HN -0.181 nan 8.230 nan 0.000 0.410 342 V N 2.330 121.966 119.914 -0.464 0.000 2.531 342 V HA 0.714 4.834 4.120 -0.000 0.000 0.301 342 V C 0.174 175.907 176.094 -0.602 0.000 1.034 342 V CA -0.176 61.754 62.300 -0.618 0.000 0.865 342 V CB 1.792 33.130 31.823 -0.808 0.000 0.995 342 V HN 0.864 nan 8.190 nan 0.000 0.424 343 G N 3.152 111.559 108.800 -0.654 0.000 2.468 343 G HA2 0.497 4.457 3.960 -0.000 0.000 0.315 343 G HA3 0.497 4.457 3.960 -0.000 0.000 0.315 343 G C -0.409 174.314 174.900 -0.294 0.000 1.203 343 G CA -0.378 44.441 45.100 -0.468 0.000 0.962 343 G HN 0.701 nan 8.290 nan 0.000 0.476 344 E N 2.041 122.066 120.200 -0.292 0.000 2.159 344 E HA 0.195 4.545 4.350 -0.000 0.000 0.272 344 E C 1.226 177.798 176.600 -0.047 0.000 1.138 344 E CA -0.074 56.222 56.400 -0.173 0.000 0.915 344 E CB 1.363 30.939 29.700 -0.207 0.000 1.028 344 E HN 0.567 nan 8.360 nan 0.000 0.423 345 G N 3.042 111.865 108.800 0.039 0.000 2.459 345 G HA2 0.064 4.024 3.960 -0.000 0.000 0.213 345 G HA3 0.064 4.024 3.960 -0.000 0.000 0.213 345 G C 0.659 175.587 174.900 0.047 0.000 1.155 345 G CA 0.561 45.706 45.100 0.075 0.000 0.811 345 G HN 0.553 nan 8.290 nan 0.000 0.534 346 A N -0.189 122.665 122.820 0.056 0.000 2.336 346 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 346 A C 0.079 177.691 177.584 0.046 0.000 1.266 346 A CA -0.644 51.425 52.037 0.053 0.000 0.891 346 A CB 0.250 19.297 19.000 0.077 0.000 1.366 346 A HN 0.188 nan 8.150 nan 0.000 0.507 347 N N 0.950 119.685 118.700 0.058 0.000 2.408 347 N HA 0.248 4.988 4.740 -0.000 0.000 0.257 347 N C 0.195 175.775 175.510 0.118 0.000 1.064 347 N CA 0.271 53.366 53.050 0.075 0.000 0.952 347 N CB 0.230 38.763 38.487 0.077 0.000 1.093 347 N HN 0.786 nan 8.380 nan 0.000 0.490 348 M N 2.877 122.553 119.600 0.127 0.000 2.351 348 M HA -0.136 4.344 4.480 -0.000 0.000 0.181 348 M C -1.819 174.557 176.300 0.128 0.000 0.852 348 M CA 0.127 55.517 55.300 0.151 0.000 0.520 348 M CB -0.909 31.805 32.600 0.190 0.000 1.076 348 M HN 0.312 nan 8.290 nan 0.000 0.881 349 P HA 0.007 nan 4.420 nan 0.000 0.220 349 P C 0.095 177.443 177.300 0.079 0.000 1.152 349 P CA 0.981 64.139 63.100 0.097 0.000 0.812 349 P CB 0.200 31.952 31.700 0.087 0.000 0.792 350 S N 0.082 115.857 115.700 0.124 0.000 2.523 350 S HA 0.229 4.699 4.470 -0.000 0.000 0.275 350 S C 0.524 175.153 174.600 0.049 0.000 1.281 350 S CA -0.176 58.094 58.200 0.117 0.000 1.050 350 S CB 0.549 63.946 63.200 0.328 0.000 0.937 350 S HN 0.052 nan 8.310 nan 0.000 0.492 351 T N 1.769 116.309 114.554 -0.022 0.000 2.748 351 T HA 0.098 4.448 4.350 -0.000 0.000 0.304 351 T C 1.668 176.318 174.700 -0.083 0.000 1.041 351 T CA -0.459 61.611 62.100 -0.050 0.000 1.033 351 T CB 0.340 69.162 68.868 -0.076 0.000 0.995 351 T HN 0.348 nan 8.240 nan 0.000 0.536 352 V N 2.124 121.987 119.914 -0.085 0.000 2.407 352 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 352 V C 2.238 178.244 176.094 -0.146 0.000 1.055 352 V CA 1.732 63.968 62.300 -0.107 0.000 1.049 352 V CB -0.479 31.287 31.823 -0.095 0.000 0.662 352 V HN 0.765 nan 8.190 nan 0.000 0.455 353 D N 0.262 120.573 120.400 -0.148 0.000 2.224 353 D HA -0.021 4.618 4.640 -0.000 0.000 0.205 353 D C 2.200 178.348 176.300 -0.254 0.000 0.965 353 D CA 1.387 55.283 54.000 -0.174 0.000 0.852 353 D CB -0.115 40.596 40.800 -0.148 0.000 0.947 353 D HN 0.438 nan 8.370 nan 0.000 0.494 354 A N 0.650 123.300 122.820 -0.284 0.000 1.898 354 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 354 A C 2.317 179.565 177.584 -0.560 0.000 1.181 354 A CA 0.680 52.428 52.037 -0.482 0.000 0.620 354 A CB -0.584 18.200 19.000 -0.361 0.000 0.819 354 A HN 0.165 nan 8.150 nan 0.000 0.442 355 I N 0.122 120.496 120.570 -0.328 0.000 2.163 355 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 355 I C 2.177 178.124 176.117 -0.284 0.000 1.085 355 I CA 1.605 62.674 61.300 -0.385 0.000 1.347 355 I CB -0.635 37.080 38.000 -0.475 0.000 1.044 355 I HN 0.291 nan 8.210 nan 0.000 0.408 356 N N 0.926 119.481 118.700 -0.242 0.000 2.094 356 N HA -0.222 4.517 4.740 -0.000 0.000 0.191 356 N C 1.692 177.098 175.510 -0.173 0.000 1.023 356 N CA 1.206 54.150 53.050 -0.177 0.000 0.857 356 N CB -0.530 37.863 38.487 -0.155 0.000 1.013 356 N HN 0.191 nan 8.380 nan 0.000 0.426 357 L N -0.170 120.893 121.223 -0.268 0.000 2.046 357 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 357 L C 1.736 178.498 176.870 -0.179 0.000 1.077 357 L CA 1.478 56.155 54.840 -0.272 0.000 0.747 357 L CB -0.576 41.229 42.059 -0.424 0.000 0.896 357 L HN 0.159 nan 8.230 nan 0.000 0.432 358 F N -0.291 119.592 119.950 -0.111 0.000 2.102 358 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 358 F C 2.418 178.187 175.800 -0.051 0.000 1.105 358 F CA 1.250 59.208 58.000 -0.071 0.000 1.239 358 F CB -0.271 38.694 39.000 -0.059 0.000 0.991 358 F HN -0.013 nan 8.300 nan 0.000 0.474 359 K N -0.355 120.107 120.400 0.104 0.000 2.097 359 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 359 K C 2.226 178.844 176.600 0.031 0.000 1.050 359 K CA 1.372 57.692 56.287 0.055 0.000 0.938 359 K CB -0.413 32.086 32.500 -0.001 0.000 0.718 359 K HN 0.087 nan 8.250 nan 0.000 0.442 360 S N 0.665 116.365 115.700 -0.001 0.000 2.447 360 S HA -0.036 4.434 4.470 -0.000 0.000 0.233 360 S C 0.789 175.392 174.600 0.004 0.000 1.006 360 S CA 0.559 58.752 58.200 -0.011 0.000 0.957 360 S CB -0.006 63.170 63.200 -0.040 0.000 0.773 360 S HN 0.187 nan 8.310 nan 0.000 0.507 364 I N 2.076 122.689 120.570 0.073 0.000 2.355 364 I HA 0.400 4.570 4.170 -0.000 0.000 0.288 364 I C 0.277 176.424 176.117 0.049 0.000 0.999 364 I CA -0.739 60.592 61.300 0.052 0.000 1.163 364 I CB 1.488 39.552 38.000 0.107 0.000 1.316 364 I HN 0.131 nan 8.210 nan 0.000 0.454 365 I N 7.035 127.607 120.570 0.003 0.000 2.752 365 I HA -0.160 4.010 4.170 -0.000 0.000 0.286 365 I C -0.572 175.566 176.117 0.035 0.000 1.180 365 I CA 0.673 62.002 61.300 0.049 0.000 1.404 365 I CB -0.243 37.767 38.000 0.017 0.000 1.389 365 I HN 0.444 nan 8.210 nan 0.000 0.549 366 Y N 7.104 127.397 120.300 -0.013 0.000 2.369 366 Y HA 0.365 4.915 4.550 -0.000 0.000 0.337 366 Y C -0.206 175.709 175.900 0.026 0.000 0.961 366 Y CA -0.887 57.182 58.100 -0.052 0.000 1.186 366 Y CB 0.888 39.345 38.460 -0.004 0.000 1.139 366 Y HN 0.552 nan 8.280 nan 0.000 0.494 367 C N 9.048 128.091 119.300 -0.429 0.000 2.246 367 C HA 0.355 4.815 4.460 -0.000 0.000 0.329 367 C C -2.212 172.544 174.990 -0.391 0.000 1.221 367 C CA -1.804 57.094 59.018 -0.201 0.000 1.697 367 C CB -0.232 27.502 27.740 -0.012 0.000 2.312 367 C HN 0.654 nan 8.230 nan 0.000 0.509 368 P HA 0.052 nan 4.420 nan 0.000 0.267 368 P C 0.875 178.078 177.300 -0.162 0.000 1.205 368 P CA 0.523 63.564 63.100 -0.098 0.000 0.765 368 P CB 0.747 32.437 31.700 -0.017 0.000 0.828 369 S N 3.909 119.556 115.700 -0.088 0.000 2.372 369 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 369 S C 1.490 176.032 174.600 -0.096 0.000 1.044 369 S CA 1.762 59.915 58.200 -0.078 0.000 1.050 369 S CB -0.622 62.573 63.200 -0.007 0.000 0.901 369 S HN 0.408 nan 8.310 nan 0.000 0.447 370 K N 0.691 121.052 120.400 -0.065 0.000 2.127 370 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 370 K C 2.234 178.767 176.600 -0.112 0.000 1.047 370 K CA 1.520 57.772 56.287 -0.057 0.000 0.927 370 K CB -0.325 32.167 32.500 -0.014 0.000 0.716 370 K HN 0.509 nan 8.250 nan 0.000 0.450 371 A N 0.902 123.592 122.820 -0.217 0.000 1.938 371 A HA 0.270 4.590 4.320 -0.000 0.000 0.207 371 A C 2.319 179.543 177.584 -0.600 0.000 1.292 371 A CA 0.685 52.497 52.037 -0.374 0.000 0.700 371 A CB -0.462 18.264 19.000 -0.457 0.000 0.947 371 A HN 0.221 nan 8.150 nan 0.000 0.476 372 A N 1.325 123.709 122.820 -0.728 0.000 1.933 372 A HA -0.160 4.159 4.320 -0.000 0.000 0.218 372 A C 1.619 179.108 177.584 -0.158 0.000 1.175 372 A CA 1.823 53.538 52.037 -0.536 0.000 0.628 372 A CB -0.557 18.247 19.000 -0.327 0.000 0.814 372 A HN 0.673 nan 8.150 nan 0.000 0.444 373 N N -0.291 118.335 118.700 -0.123 0.000 2.273 373 N HA 0.353 5.093 4.740 -0.000 0.000 0.231 373 N C 0.815 176.304 175.510 -0.036 0.000 1.134 373 N CA 0.668 53.694 53.050 -0.041 0.000 0.856 373 N CB 0.032 38.504 38.487 -0.026 0.000 1.068 373 N HN 0.230 nan 8.380 nan 0.000 0.510 374 A N -0.069 122.721 122.820 -0.049 0.000 2.167 374 A HA 0.222 4.541 4.320 -0.000 0.000 0.214 374 A C 2.090 179.684 177.584 0.017 0.000 1.151 374 A CA 0.860 52.884 52.037 -0.023 0.000 0.735 374 A CB -0.881 18.101 19.000 -0.029 0.000 0.802 374 A HN 0.401 nan 8.150 nan 0.000 0.467 375 G N 0.052 108.880 108.800 0.047 0.000 2.450 375 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.220 375 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.220 375 G C 1.458 176.379 174.900 0.034 0.000 1.130 375 G CA 1.150 46.297 45.100 0.077 0.000 0.760 375 G HN 0.632 nan 8.290 nan 0.000 0.557 376 G N 0.127 108.930 108.800 0.004 0.000 2.432 376 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 376 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 376 G C 1.651 176.534 174.900 -0.027 0.000 1.135 376 G CA 1.116 46.201 45.100 -0.026 0.000 0.767 376 G HN 0.344 nan 8.290 nan 0.000 0.550 377 V N 0.885 120.790 119.914 -0.014 0.000 2.788 377 V HA 0.081 4.201 4.120 -0.000 0.000 0.251 377 V C 3.150 179.244 176.094 0.001 0.000 1.068 377 V CA 1.443 63.735 62.300 -0.014 0.000 1.090 377 V CB -0.107 31.707 31.823 -0.015 0.000 0.710 377 V HN 0.459 nan 8.190 nan 0.000 0.467 378 A N 0.434 123.267 122.820 0.021 0.000 1.858 378 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 378 A C 2.122 179.727 177.584 0.035 0.000 1.190 378 A CA 1.663 53.725 52.037 0.043 0.000 0.617 378 A CB -0.495 18.548 19.000 0.072 0.000 0.827 378 A HN 0.363 nan 8.150 nan 0.000 0.443 379 I N 0.431 121.012 120.570 0.018 0.000 2.335 379 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 379 I C 2.775 178.861 176.117 -0.052 0.000 1.129 379 I CA 1.876 63.168 61.300 -0.013 0.000 1.402 379 I CB -1.143 36.832 38.000 -0.042 0.000 1.069 379 I HN 0.502 nan 8.210 nan 0.000 0.424 380 S N 1.204 116.876 115.700 -0.047 0.000 2.359 380 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 380 S C 2.185 176.758 174.600 -0.044 0.000 1.035 380 S CA 1.798 59.961 58.200 -0.062 0.000 1.018 380 S CB -0.620 62.553 63.200 -0.045 0.000 0.876 380 S HN 0.490 nan 8.310 nan 0.000 0.448 381 G N 1.168 109.967 108.800 -0.002 0.000 2.422 381 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.218 381 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.218 381 G C 1.445 176.368 174.900 0.038 0.000 1.140 381 G CA 0.748 45.870 45.100 0.036 0.000 0.775 381 G HN 0.538 nan 8.290 nan 0.000 0.545 382 L N -0.061 121.170 121.223 0.013 0.000 2.291 382 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 382 L C 2.612 179.336 176.870 -0.245 0.000 1.120 382 L CA 0.935 55.760 54.840 -0.025 0.000 0.799 382 L CB -0.216 41.878 42.059 0.058 0.000 0.925 382 L HN 0.334 nan 8.230 nan 0.000 0.446 383 E N 0.545 120.626 120.200 -0.199 0.000 2.072 383 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 383 E C 2.355 178.802 176.600 -0.256 0.000 0.982 383 E CA 0.945 57.187 56.400 -0.263 0.000 0.803 383 E CB 0.070 29.637 29.700 -0.223 0.000 0.755 383 E HN 0.411 nan 8.360 nan 0.000 0.453 384 M N -0.099 119.401 119.600 -0.166 0.000 2.099 384 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 384 M C 2.632 178.907 176.300 -0.042 0.000 1.067 384 M CA 1.117 56.302 55.300 -0.192 0.000 1.124 384 M CB -0.238 32.371 32.600 0.015 0.000 1.353 384 M HN 0.062 nan 8.290 nan 0.000 0.410 385 S N 0.222 115.992 115.700 0.116 0.000 2.370 385 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 385 S C 1.836 176.488 174.600 0.087 0.000 1.033 385 S CA 1.524 59.874 58.200 0.251 0.000 1.011 385 S CB -0.159 63.220 63.200 0.299 0.000 0.852 385 S HN 0.502 nan 8.310 nan 0.000 0.457 386 Q N 0.225 119.843 119.800 -0.302 0.000 2.224 386 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 386 Q C 1.905 177.809 176.000 -0.161 0.000 0.970 386 Q CA 1.210 56.757 55.803 -0.427 0.000 0.865 386 Q CB -0.243 28.006 28.738 -0.815 0.000 0.922 386 Q HN 0.684 nan 8.270 nan 0.000 0.445 387 N N -0.379 118.212 118.700 -0.180 0.000 2.300 387 N HA -0.041 4.699 4.740 -0.000 0.000 0.179 387 N C 1.347 176.852 175.510 -0.009 0.000 1.016 387 N CA 0.533 53.493 53.050 -0.150 0.000 0.876 387 N CB 0.029 38.318 38.487 -0.330 0.000 0.979 387 N HN 0.136 nan 8.380 nan 0.000 0.432 388 F N 1.586 121.596 119.950 0.100 0.000 2.206 388 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 388 F C 2.291 178.198 175.800 0.177 0.000 1.090 388 F CA 0.721 58.800 58.000 0.132 0.000 1.323 388 F CB 0.048 39.106 39.000 0.096 0.000 1.028 388 F HN -0.019 nan 8.300 nan 0.000 0.492 389 Q N -0.687 119.337 119.800 0.374 0.000 2.451 389 Q HA -0.070 4.270 4.340 -0.000 0.000 0.206 389 Q C 0.050 176.284 176.000 0.389 0.000 0.947 389 Q CA 0.059 56.063 55.803 0.336 0.000 0.937 389 Q CB 0.042 28.989 28.738 0.349 0.000 1.025 389 Q HN 0.329 nan 8.270 nan 0.000 0.511 390 F N 0.937 120.970 119.950 0.139 0.000 3.039 390 F HA -0.292 4.235 4.527 -0.000 0.000 0.287 390 F C -0.333 175.536 175.800 0.117 0.000 0.956 390 F CA 0.779 58.849 58.000 0.117 0.000 0.971 390 F CB -1.195 37.877 39.000 0.120 0.000 0.943 390 F HN 0.022 nan 8.300 nan 0.000 0.766 391 S N -0.140 115.619 115.700 0.097 0.000 2.745 391 S HA 0.739 5.209 4.470 -0.000 0.000 0.306 391 S C -1.180 173.416 174.600 -0.007 0.000 1.137 391 S CA -0.328 57.936 58.200 0.106 0.000 0.900 391 S CB 1.631 65.013 63.200 0.303 0.000 1.176 391 S HN 0.461 nan 8.310 nan 0.000 0.520 392 H N 0.971 120.002 119.070 -0.064 0.000 2.895 392 H HA 0.400 4.956 4.556 -0.000 0.000 0.282 392 H C -1.293 174.059 175.328 0.039 0.000 1.338 392 H CA -0.514 55.446 56.048 -0.148 0.000 1.595 392 H CB -0.186 29.507 29.762 -0.116 0.000 1.771 392 H HN 0.470 nan 8.280 nan 0.000 0.573 393 W N 2.748 123.897 121.300 -0.251 0.000 2.112 393 W HA 0.217 4.877 4.660 -0.000 0.000 0.349 393 W C 0.826 177.172 176.519 -0.288 0.000 1.289 393 W CA -0.326 56.900 57.345 -0.198 0.000 1.256 393 W CB -0.197 29.188 29.460 -0.124 0.000 1.148 393 W HN 0.545 nan 8.180 nan 0.000 0.590 394 T N -1.273 113.340 114.554 0.098 0.000 2.748 394 T HA 0.141 4.491 4.350 -0.000 0.000 0.304 394 T C 1.283 175.994 174.700 0.018 0.000 1.041 394 T CA -0.388 61.724 62.100 0.019 0.000 1.033 394 T CB 1.111 70.002 68.868 0.038 0.000 0.995 394 T HN 0.500 nan 8.240 nan 0.000 0.536 395 R N 0.154 120.658 120.500 0.006 0.000 2.115 395 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 395 R C 1.956 178.289 176.300 0.055 0.000 1.111 395 R CA 1.527 57.641 56.100 0.022 0.000 0.976 395 R CB -0.238 30.077 30.300 0.024 0.000 0.870 395 R HN 0.778 nan 8.270 nan 0.000 0.445 396 E N -0.803 119.424 120.200 0.045 0.000 2.152 396 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 396 E C 1.782 178.403 176.600 0.035 0.000 0.983 396 E CA 1.569 57.993 56.400 0.040 0.000 0.818 396 E CB -0.044 29.669 29.700 0.023 0.000 0.758 396 E HN 0.234 nan 8.360 nan 0.000 0.467 397 T N 0.004 114.584 114.554 0.043 0.000 2.812 397 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 397 T C 1.973 176.723 174.700 0.084 0.000 1.042 397 T CA 0.974 63.086 62.100 0.020 0.000 1.140 397 T CB -0.179 68.686 68.868 -0.005 0.000 0.870 397 T HN -0.032 nan 8.240 nan 0.000 0.445 398 V N 1.886 121.907 119.914 0.178 0.000 2.343 398 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 398 V C 2.390 178.573 176.094 0.149 0.000 1.051 398 V CA 1.898 64.331 62.300 0.221 0.000 1.036 398 V CB -0.570 31.346 31.823 0.155 0.000 0.654 398 V HN 0.445 nan 8.190 nan 0.000 0.451 399 D N -0.293 120.183 120.400 0.127 0.000 2.144 399 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 399 D C 2.224 178.556 176.300 0.053 0.000 0.984 399 D CA 0.958 55.046 54.000 0.147 0.000 0.834 399 D CB -0.022 40.870 40.800 0.153 0.000 0.955 399 D HN 0.309 nan 8.370 nan 0.000 0.465 400 E N 0.398 120.603 120.200 0.009 0.000 2.077 400 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 400 E C 2.084 178.652 176.600 -0.053 0.000 0.989 400 E CA 0.775 57.142 56.400 -0.055 0.000 0.800 400 E CB -0.107 29.560 29.700 -0.055 0.000 0.746 400 E HN 0.420 nan 8.360 nan 0.000 0.452 401 K N 0.357 120.757 120.400 -0.000 0.000 2.097 401 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 401 K C 2.160 178.786 176.600 0.043 0.000 1.050 401 K CA 0.577 56.876 56.287 0.021 0.000 0.938 401 K CB -0.169 32.375 32.500 0.073 0.000 0.718 401 K HN 0.002 nan 8.250 nan 0.000 0.442 402 L N 1.918 123.187 121.223 0.077 0.000 2.141 402 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 402 L C 1.686 178.585 176.870 0.048 0.000 1.094 402 L CA 1.775 56.693 54.840 0.130 0.000 0.763 402 L CB -0.120 42.090 42.059 0.251 0.000 0.908 402 L HN -0.012 nan 8.230 nan 0.000 0.437 403 K N -0.640 119.649 120.400 -0.185 0.000 2.062 403 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 403 K C 2.027 178.523 176.600 -0.173 0.000 1.051 403 K CA 1.445 57.461 56.287 -0.452 0.000 0.941 403 K CB -0.131 31.981 32.500 -0.647 0.000 0.719 403 K HN 0.462 nan 8.250 nan 0.000 0.440 404 E N 1.253 121.396 120.200 -0.095 0.000 2.152 404 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 404 E C 1.945 178.556 176.600 0.019 0.000 0.983 404 E CA 0.577 56.955 56.400 -0.038 0.000 0.818 404 E CB 0.107 29.786 29.700 -0.035 0.000 0.758 404 E HN 0.233 nan 8.360 nan 0.000 0.467 405 I N 0.743 121.339 120.570 0.043 0.000 2.202 405 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 405 I C 2.290 178.482 176.117 0.126 0.000 1.091 405 I CA 0.754 62.103 61.300 0.080 0.000 1.368 405 I CB -0.182 37.873 38.000 0.092 0.000 1.058 405 I HN 0.245 nan 8.210 nan 0.000 0.410 406 M N -0.135 119.559 119.600 0.156 0.000 2.358 406 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 406 M C 2.217 178.670 176.300 0.256 0.000 1.064 406 M CA 1.409 56.866 55.300 0.261 0.000 1.093 406 M CB -1.415 31.384 32.600 0.330 0.000 1.401 406 M HN 0.234 nan 8.290 nan 0.000 0.440 407 R N 0.156 120.740 120.500 0.140 0.000 2.127 407 R HA -0.062 4.278 4.340 -0.000 0.000 0.217 407 R C 1.655 178.053 176.300 0.164 0.000 1.074 407 R CA 0.851 57.029 56.100 0.130 0.000 0.991 407 R CB 0.115 30.442 30.300 0.046 0.000 0.895 407 R HN 0.295 nan 8.270 nan 0.000 0.450 408 N N 0.888 119.662 118.700 0.123 0.000 2.188 408 N HA -0.109 4.630 4.740 -0.000 0.000 0.184 408 N C 1.771 177.352 175.510 0.119 0.000 1.018 408 N CA 1.136 54.243 53.050 0.094 0.000 0.858 408 N CB -0.070 38.457 38.487 0.067 0.000 0.989 408 N HN 0.285 nan 8.380 nan 0.000 0.426 409 I N -0.156 120.528 120.570 0.190 0.000 2.202 409 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 409 I C 2.042 178.354 176.117 0.325 0.000 1.091 409 I CA 0.807 62.247 61.300 0.233 0.000 1.368 409 I CB -0.265 37.898 38.000 0.272 0.000 1.058 409 I HN -0.009 nan 8.210 nan 0.000 0.410 410 F N 1.783 121.899 119.950 0.275 0.000 2.171 410 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 410 F C 2.197 178.004 175.800 0.011 0.000 1.090 410 F CA 1.521 59.579 58.000 0.097 0.000 1.293 410 F CB -0.251 38.562 39.000 -0.311 0.000 1.013 410 F HN -0.089 nan 8.300 nan 0.000 0.486 411 I N 0.187 120.663 120.570 -0.156 0.000 2.315 411 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 411 I C 2.634 178.617 176.117 -0.222 0.000 1.117 411 I CA 1.133 62.285 61.300 -0.246 0.000 1.404 411 I CB -0.793 37.185 38.000 -0.036 0.000 1.071 411 I HN 0.251 nan 8.210 nan 0.000 0.419 412 A N -0.403 122.353 122.820 -0.106 0.000 1.968 412 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 412 A C 2.342 179.867 177.584 -0.098 0.000 1.169 412 A CA 1.332 53.326 52.037 -0.071 0.000 0.638 412 A CB -0.953 18.040 19.000 -0.011 0.000 0.812 412 A HN 0.528 nan 8.150 nan 0.000 0.446 413 C N -0.859 118.370 119.300 -0.117 0.000 2.464 413 C HA 0.044 4.504 4.460 -0.000 0.000 0.278 413 C C 3.169 178.026 174.990 -0.221 0.000 1.375 413 C CA 0.982 59.939 59.018 -0.102 0.000 1.761 413 C CB -0.994 26.767 27.740 0.034 0.000 1.944 413 C HN 0.598 nan 8.230 nan 0.000 0.509 414 S N 1.038 116.470 115.700 -0.448 0.000 2.345 414 S HA -0.129 4.341 4.470 -0.000 0.000 0.219 414 S C 1.727 176.144 174.600 -0.305 0.000 1.031 414 S CA 1.225 59.111 58.200 -0.524 0.000 0.984 414 S CB -0.293 62.401 63.200 -0.844 0.000 0.874 414 S HN 0.687 nan 8.310 nan 0.000 0.451 415 E N 1.659 121.714 120.200 -0.241 0.000 2.077 415 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 415 E C 0.849 177.408 176.600 -0.069 0.000 0.989 415 E CA 0.630 56.945 56.400 -0.140 0.000 0.800 415 E CB -0.217 29.416 29.700 -0.112 0.000 0.746 415 E HN 0.325 nan 8.360 nan 0.000 0.452 416 N N 1.669 120.355 118.700 -0.024 0.000 2.523 416 N HA -0.056 4.684 4.740 -0.000 0.000 0.208 416 N C 1.222 176.814 175.510 0.137 0.000 1.313 416 N CA 0.078 53.201 53.050 0.121 0.000 0.853 416 N CB 0.214 38.748 38.487 0.079 0.000 1.090 416 N HN 0.102 nan 8.380 nan 0.000 0.463 417 L N 1.200 122.386 121.223 -0.062 0.000 2.863 417 L HA -0.445 3.894 4.340 -0.000 0.000 0.197 417 L C 1.950 178.779 176.870 -0.069 0.000 1.162 417 L CA 2.252 57.053 54.840 -0.065 0.000 0.814 417 L CB -0.930 41.071 42.059 -0.095 0.000 0.969 417 L HN 0.262 nan 8.230 nan 0.000 0.434 418 K N -2.254 118.086 120.400 -0.099 0.000 2.097 418 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 418 K C 1.721 178.111 176.600 -0.350 0.000 1.050 418 K CA 2.028 58.172 56.287 -0.238 0.000 0.938 418 K CB -0.280 32.030 32.500 -0.316 0.000 0.718 418 K HN 0.634 nan 8.250 nan 0.000 0.442 419 Y N -0.758 119.512 120.300 -0.050 0.000 2.442 419 Y HA 0.068 4.618 4.550 -0.000 0.000 0.250 419 Y C 1.648 177.521 175.900 -0.045 0.000 1.113 419 Y CA 0.720 58.790 58.100 -0.049 0.000 1.273 419 Y CB 1.250 39.666 38.460 -0.074 0.000 1.138 419 Y HN 0.245 nan 8.280 nan 0.000 0.522 420 T N -4.622 109.981 114.554 0.082 0.000 3.087 420 T HA 0.179 4.529 4.350 -0.000 0.000 0.283 420 T C 0.726 175.439 174.700 0.023 0.000 0.956 420 T CA -0.218 61.908 62.100 0.045 0.000 0.894 420 T CB 0.075 68.963 68.868 0.034 0.000 1.160 420 T HN 0.083 nan 8.240 nan 0.000 0.532 421 K N 0.632 121.035 120.400 0.006 0.000 3.363 421 K HA -0.323 3.997 4.320 -0.000 0.000 0.313 421 K C 0.906 177.517 176.600 0.018 0.000 1.259 421 K CA 1.341 57.628 56.287 -0.001 0.000 0.942 421 K CB -1.956 30.544 32.500 0.001 0.000 1.229 421 K HN 0.688 nan 8.250 nan 0.000 0.440 422 N N 0.674 119.390 118.700 0.027 0.000 2.197 422 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 422 N C 1.248 176.801 175.510 0.072 0.000 1.030 422 N CA 1.737 54.822 53.050 0.059 0.000 0.851 422 N CB 0.138 38.664 38.487 0.065 0.000 1.003 422 N HN 0.244 nan 8.380 nan 0.000 0.430 423 K N -2.247 118.149 120.400 -0.007 0.000 3.030 423 K HA -0.224 4.095 4.320 -0.000 0.000 0.384 423 K C -0.396 176.006 176.600 -0.330 0.000 0.560 423 K CA 1.624 57.818 56.287 -0.155 0.000 1.690 423 K CB -1.847 30.582 32.500 -0.117 0.000 1.009 423 K HN 0.371 nan 8.250 nan 0.000 0.444 424 Y N 1.153 121.478 120.300 0.043 0.000 2.658 424 Y HA 0.333 4.883 4.550 -0.000 0.000 0.276 424 Y C 0.134 176.084 175.900 0.083 0.000 1.167 424 Y CA -0.099 58.047 58.100 0.077 0.000 1.230 424 Y CB 0.797 39.307 38.460 0.084 0.000 1.144 424 Y HN 0.134 nan 8.280 nan 0.000 0.529 425 D N 1.010 121.483 120.400 0.121 0.000 2.741 425 D HA 0.087 4.727 4.640 -0.000 0.000 0.233 425 D C 1.146 177.492 176.300 0.076 0.000 1.160 425 D CA 0.220 54.280 54.000 0.100 0.000 1.003 425 D CB -0.135 40.700 40.800 0.057 0.000 1.064 425 D HN 0.349 nan 8.370 nan 0.000 0.503 426 L N 0.735 122.035 121.223 0.127 0.000 2.127 426 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 426 L C 2.390 179.312 176.870 0.086 0.000 1.089 426 L CA 0.926 55.840 54.840 0.124 0.000 0.757 426 L CB -0.256 41.946 42.059 0.237 0.000 0.899 426 L HN 0.373 nan 8.230 nan 0.000 0.434 427 Q N -0.030 119.834 119.800 0.106 0.000 2.124 427 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 427 Q C 2.302 178.297 176.000 -0.009 0.000 0.977 427 Q CA 1.738 57.584 55.803 0.073 0.000 0.850 427 Q CB 0.005 28.807 28.738 0.106 0.000 0.901 427 Q HN 0.539 nan 8.270 nan 0.000 0.429 428 A N -0.107 122.700 122.820 -0.021 0.000 1.898 428 A HA -0.005 4.315 4.320 -0.000 0.000 0.214 428 A C 2.211 179.736 177.584 -0.099 0.000 1.183 428 A CA 1.265 53.253 52.037 -0.081 0.000 0.622 428 A CB -1.050 17.913 19.000 -0.062 0.000 0.824 428 A HN 0.556 nan 8.150 nan 0.000 0.444 429 G N -0.257 108.512 108.800 -0.052 0.000 2.418 429 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.217 429 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.217 429 G C 1.747 176.612 174.900 -0.059 0.000 1.158 429 G CA 1.481 46.548 45.100 -0.055 0.000 0.771 429 G HN 0.754 nan 8.290 nan 0.000 0.545 430 A N 1.258 124.055 122.820 -0.038 0.000 1.877 430 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 430 A C 2.302 179.844 177.584 -0.069 0.000 1.186 430 A CA 1.865 53.881 52.037 -0.035 0.000 0.620 430 A CB -0.479 18.503 19.000 -0.029 0.000 0.822 430 A HN 0.354 nan 8.150 nan 0.000 0.443 431 N N 0.001 118.623 118.700 -0.129 0.000 2.142 431 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 431 N C 1.742 177.085 175.510 -0.279 0.000 1.023 431 N CA 1.517 54.419 53.050 -0.247 0.000 0.852 431 N CB -0.365 37.937 38.487 -0.308 0.000 0.998 431 N HN 0.564 nan 8.380 nan 0.000 0.424 432 I N 1.126 121.540 120.570 -0.260 0.000 2.163 432 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 432 I C 2.391 178.410 176.117 -0.164 0.000 1.081 432 I CA 0.881 62.000 61.300 -0.302 0.000 1.353 432 I CB -0.314 37.450 38.000 -0.393 0.000 1.054 432 I HN 0.040 nan 8.210 nan 0.000 0.407 433 A N 0.901 123.662 122.820 -0.098 0.000 1.877 433 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 433 A C 2.403 179.981 177.584 -0.010 0.000 1.186 433 A CA 1.966 53.977 52.037 -0.043 0.000 0.620 433 A CB -1.464 17.523 19.000 -0.022 0.000 0.822 433 A HN 0.472 nan 8.150 nan 0.000 0.443 434 G N -1.962 106.852 108.800 0.023 0.000 2.443 434 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 434 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 434 G C 1.387 176.429 174.900 0.237 0.000 1.131 434 G CA 1.135 46.310 45.100 0.124 0.000 0.775 434 G HN 0.511 nan 8.290 nan 0.000 0.547 435 F N 0.520 120.429 119.950 -0.068 0.000 2.262 435 F HA 0.325 4.851 4.527 -0.000 0.000 0.292 435 F C 2.320 178.006 175.800 -0.189 0.000 1.081 435 F CA 0.317 58.249 58.000 -0.112 0.000 1.355 435 F CB -0.046 38.694 39.000 -0.433 0.000 1.069 435 F HN -0.016 nan 8.300 nan 0.000 0.506 436 L N 0.581 121.676 121.223 -0.213 0.000 2.042 436 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 436 L C 2.549 179.273 176.870 -0.243 0.000 1.076 436 L CA 1.832 56.466 54.840 -0.344 0.000 0.749 436 L CB -0.599 41.350 42.059 -0.183 0.000 0.893 436 L HN 0.161 nan 8.230 nan 0.000 0.432 437 K N -0.280 120.043 120.400 -0.130 0.000 2.057 437 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 437 K C 1.959 178.510 176.600 -0.082 0.000 1.050 437 K CA 1.095 57.339 56.287 -0.071 0.000 0.935 437 K CB 0.122 32.605 32.500 -0.029 0.000 0.715 437 K HN 0.069 nan 8.250 nan 0.000 0.439 438 V N 1.099 120.941 119.914 -0.120 0.000 2.515 438 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 438 V C 2.284 178.304 176.094 -0.124 0.000 1.058 438 V CA 1.840 64.078 62.300 -0.103 0.000 1.064 438 V CB -0.260 31.502 31.823 -0.102 0.000 0.675 438 V HN 0.466 nan 8.190 nan 0.000 0.461 439 A N -0.328 122.292 122.820 -0.333 0.000 1.855 439 A HA -0.171 4.149 4.320 -0.000 0.000 0.213 439 A C 2.138 179.749 177.584 0.046 0.000 1.195 439 A CA 1.483 53.370 52.037 -0.248 0.000 0.610 439 A CB -0.482 18.082 19.000 -0.727 0.000 0.837 439 A HN 0.536 nan 8.150 nan 0.000 0.444 440 E N 0.048 120.266 120.200 0.029 0.000 2.070 440 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 440 E C 2.333 178.991 176.600 0.097 0.000 1.004 440 E CA 1.628 58.098 56.400 0.116 0.000 0.805 440 E CB -0.179 29.572 29.700 0.086 0.000 0.744 440 E HN 0.551 nan 8.360 nan 0.000 0.451 441 S N -0.100 115.646 115.700 0.077 0.000 2.370 441 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 441 S C 1.709 176.419 174.600 0.182 0.000 1.033 441 S CA 1.234 59.496 58.200 0.102 0.000 1.011 441 S CB -0.401 62.848 63.200 0.081 0.000 0.852 441 S HN 0.367 nan 8.310 nan 0.000 0.457 442 Y N 1.970 122.325 120.300 0.092 0.000 2.165 442 Y HA -0.124 4.426 4.550 -0.000 0.000 0.286 442 Y C 1.856 177.875 175.900 0.198 0.000 1.155 442 Y CA 1.076 59.276 58.100 0.167 0.000 1.164 442 Y CB -0.529 37.969 38.460 0.063 0.000 0.978 442 Y HN 0.204 nan 8.280 nan 0.000 0.513 443 I N 0.119 120.702 120.570 0.022 0.000 2.202 443 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 443 I C 2.269 178.398 176.117 0.020 0.000 1.091 443 I CA 1.755 63.046 61.300 -0.016 0.000 1.368 443 I CB -0.391 37.639 38.000 0.050 0.000 1.058 443 I HN 0.241 nan 8.210 nan 0.000 0.410 444 E N 0.313 120.544 120.200 0.051 0.000 2.160 444 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 444 E C 1.899 178.523 176.600 0.040 0.000 0.991 444 E CA 1.029 57.457 56.400 0.047 0.000 0.810 444 E CB -0.044 29.686 29.700 0.050 0.000 0.742 444 E HN 0.566 nan 8.360 nan 0.000 0.466 445 Q N -0.364 119.472 119.800 0.061 0.000 2.403 445 Q HA 0.138 4.478 4.340 -0.000 0.000 0.203 445 Q C 0.573 176.620 176.000 0.078 0.000 0.932 445 Q CA 0.169 56.009 55.803 0.061 0.000 0.945 445 Q CB 0.901 29.700 28.738 0.103 0.000 1.045 445 Q HN 0.253 nan 8.270 nan 0.000 0.511 446 G N 0.719 109.546 108.800 0.045 0.000 2.725 446 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 446 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 446 G C -0.507 174.447 174.900 0.089 0.000 1.357 446 G CA -0.554 44.577 45.100 0.051 0.000 0.866 446 G HN 0.320 nan 8.290 nan 0.000 0.548 447 C N 1.953 121.308 119.300 0.093 0.000 2.540 447 C HA 0.739 5.198 4.460 -0.000 0.000 0.377 447 C C 0.437 175.609 174.990 0.303 0.000 1.274 447 C CA 0.460 59.546 59.018 0.112 0.000 1.718 447 C CB -2.589 25.179 27.740 0.047 0.000 2.391 447 C HN 1.659 nan 8.230 nan 0.000 0.565 448 F N 0.000 120.039 119.950 0.148 0.000 2.286 448 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 448 F CA 0.000 58.111 58.000 0.184 0.000 1.383 448 F CB 0.000 39.093 39.000 0.154 0.000 1.145 448 F HN 0.000 nan 8.300 nan 0.000 0.574