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 3iko_1_H DATA FIRST_RESID 130 DATA SEQUENCE DEIDNAKLIM KERRFTASYT FAKFSTGSML LTKDIVGKSG VSIKRLPTEL DATA SEQUENCE QRKFLFDDVY LDKEIEKVTI EARKSNPYPQ ISESSLLFKD ALDYMEKTSS DATA SEQUENCE DYNLWKLSSI LFDPVSYPYK TDNDQVKMAL LKKERHCRLT SWIVSQIGPE DATA SEQUENCE IEEKIRNSSN EIEQIFLYLL LNDVVRASKL AIESKNGHLS VLISYLGSND DATA SEQUENCE PRIRDLAELQ LQKWSTGGCS IDKNISKIYK LLSGSPFEGL FSLKELESEF DATA SEQUENCE SWLCLLNLTL CYGQIDEYSL ESLVQSHLDK FSLPYDDPIG VIFQLYAANE DATA SEQUENCE NTEKLYKEVR QRTNALDVQF CWYLIQTLRF NGTRVFSKET SDEATFAFAA DATA SEQUENCE QLEFAQLHGH SLFVSCFLND DKAAEDTIKR LVMREITLLR ASTNDHILNR DATA SEQUENCE LKIPSQLIFN AQALKDRYEG 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 130 D HA 0.000 nan 4.640 nan 0.000 0.175 130 D C 0.000 176.301 176.300 0.002 0.000 2.045 130 D CA 0.000 54.001 54.000 0.002 0.000 0.868 130 D CB 0.000 40.801 40.800 0.002 0.000 0.688 131 E N 0.524 120.725 120.200 0.003 0.000 2.651 131 E HA 0.267 4.617 4.350 -0.000 0.000 0.208 131 E C 0.311 176.914 176.600 0.006 0.000 0.997 131 E CA 0.066 56.468 56.400 0.004 0.000 1.020 131 E CB 0.262 29.964 29.700 0.004 0.000 1.052 131 E HN 0.289 nan 8.360 nan 0.000 0.465 132 I N -0.161 120.412 120.570 0.006 0.000 3.956 132 I HA 0.093 4.263 4.170 -0.000 0.000 0.333 132 I C 0.654 176.775 176.117 0.007 0.000 1.302 132 I CA 0.241 61.545 61.300 0.008 0.000 1.122 132 I CB -0.160 37.844 38.000 0.007 0.000 1.013 132 I HN 0.028 nan 8.210 nan 0.000 0.405 133 D N 1.625 122.028 120.400 0.004 0.000 2.162 133 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 133 D C 1.406 177.707 176.300 0.001 0.000 0.967 133 D CA 0.898 54.899 54.000 0.002 0.000 0.840 133 D CB 0.104 40.904 40.800 -0.001 0.000 0.972 133 D HN 0.306 nan 8.370 nan 0.000 0.482 134 N N 0.480 119.182 118.700 0.003 0.000 2.398 134 N HA 0.066 4.806 4.740 -0.000 0.000 0.188 134 N C 1.297 176.815 175.510 0.014 0.000 1.122 134 N CA 0.003 53.055 53.050 0.003 0.000 0.866 134 N CB 0.755 39.244 38.487 0.003 0.000 0.970 134 N HN 0.070 nan 8.380 nan 0.000 0.462 135 A N 0.731 123.562 122.820 0.019 0.000 1.935 135 A HA 0.053 4.373 4.320 -0.000 0.000 0.214 135 A C 2.031 179.637 177.584 0.038 0.000 1.178 135 A CA 0.916 52.973 52.037 0.034 0.000 0.640 135 A CB 0.171 19.187 19.000 0.027 0.000 0.825 135 A HN 0.041 nan 8.150 nan 0.000 0.447 136 K N -1.045 119.367 120.400 0.019 0.000 2.353 136 K HA 0.220 4.540 4.320 -0.000 0.000 0.195 136 K C 1.435 178.029 176.600 -0.010 0.000 1.031 136 K CA -0.023 56.271 56.287 0.011 0.000 1.079 136 K CB 0.234 32.740 32.500 0.010 0.000 0.857 136 K HN 0.343 nan 8.250 nan 0.000 0.535 137 L N 1.174 122.388 121.223 -0.016 0.000 2.072 137 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 137 L C 1.539 178.373 176.870 -0.060 0.000 1.079 137 L CA 1.675 56.496 54.840 -0.031 0.000 0.752 137 L CB 0.072 42.116 42.059 -0.024 0.000 0.906 137 L HN 0.036 nan 8.230 nan 0.000 0.436 138 I N -0.631 119.898 120.570 -0.068 0.000 3.812 138 I HA -0.007 4.163 4.170 -0.000 0.000 0.320 138 I C 1.793 177.775 176.117 -0.226 0.000 1.276 138 I CA 0.096 61.308 61.300 -0.147 0.000 1.164 138 I CB -0.105 37.829 38.000 -0.110 0.000 1.009 138 I HN 0.356 nan 8.210 nan 0.000 0.431 139 M N 1.448 120.989 119.600 -0.099 0.000 2.534 139 M HA 0.016 4.496 4.480 -0.000 0.000 0.263 139 M C 1.799 178.061 176.300 -0.062 0.000 1.152 139 M CA 1.589 56.864 55.300 -0.040 0.000 1.145 139 M CB -0.097 32.525 32.600 0.037 0.000 1.333 139 M HN 0.146 nan 8.290 nan 0.000 0.477 140 K N 0.901 121.261 120.400 -0.067 0.000 2.404 140 K HA -0.011 4.309 4.320 -0.000 0.000 0.194 140 K C 1.269 177.821 176.600 -0.080 0.000 1.023 140 K CA 0.850 57.104 56.287 -0.054 0.000 1.094 140 K CB 0.365 32.844 32.500 -0.035 0.000 0.841 140 K HN 0.599 nan 8.250 nan 0.000 0.523 141 E N -1.556 118.566 120.200 -0.130 0.000 2.367 141 E HA 0.036 4.386 4.350 -0.000 0.000 0.204 141 E C 1.800 178.273 176.600 -0.211 0.000 0.840 141 E CA -0.322 55.994 56.400 -0.141 0.000 1.051 141 E CB -0.008 29.614 29.700 -0.131 0.000 1.051 141 E HN -0.085 nan 8.360 nan 0.000 0.509 142 R N 0.795 121.069 120.500 -0.376 0.000 2.210 142 R HA 0.236 4.576 4.340 -0.000 0.000 0.203 142 R C 0.059 176.077 176.300 -0.470 0.000 1.010 142 R CA 0.528 56.263 56.100 -0.609 0.000 1.008 142 R CB 0.147 29.654 30.300 -1.321 0.000 0.923 142 R HN 0.097 nan 8.270 nan 0.000 0.469 143 R N -1.041 119.306 120.500 -0.255 0.000 3.461 143 R HA -0.125 4.215 4.340 -0.000 0.000 0.302 143 R C -1.167 175.289 176.300 0.260 0.000 1.137 143 R CA 0.438 56.542 56.100 0.007 0.000 0.796 143 R CB -2.590 27.742 30.300 0.053 0.000 1.413 143 R HN 0.188 nan 8.270 nan 0.000 0.454 144 F N -0.185 119.737 119.950 -0.048 0.000 2.404 144 F HA 0.307 4.834 4.527 -0.000 0.000 0.354 144 F C 1.480 177.255 175.800 -0.043 0.000 1.122 144 F CA -0.733 57.220 58.000 -0.077 0.000 1.080 144 F CB 1.847 40.778 39.000 -0.116 0.000 1.131 144 F HN -0.122 nan 8.300 nan 0.000 0.471 145 T N 1.621 116.263 114.554 0.147 0.000 2.709 145 T HA 0.402 4.752 4.350 -0.000 0.000 0.174 145 T C 0.889 175.625 174.700 0.060 0.000 0.774 145 T CA 0.524 62.678 62.100 0.090 0.000 1.309 145 T CB 0.445 69.359 68.868 0.077 0.000 2.586 145 T HN 0.568 nan 8.240 nan 0.000 0.401 146 A N 0.786 123.642 122.820 0.061 0.000 2.732 146 A HA 0.351 4.671 4.320 -0.000 0.000 0.201 146 A C 0.813 178.438 177.584 0.068 0.000 1.390 146 A CA 0.333 52.402 52.037 0.053 0.000 1.064 146 A CB 0.100 19.123 19.000 0.039 0.000 1.348 146 A HN 0.490 nan 8.150 nan 0.000 0.565 147 S N 0.164 115.913 115.700 0.082 0.000 2.979 147 S HA 0.515 4.985 4.470 -0.000 0.000 0.210 147 S C -0.565 174.103 174.600 0.113 0.000 1.364 147 S CA -0.485 57.756 58.200 0.069 0.000 1.208 147 S CB -0.694 62.532 63.200 0.043 0.000 1.167 147 S HN 0.318 nan 8.310 nan 0.000 0.519 148 Y N 2.024 122.307 120.300 -0.028 0.000 2.310 148 Y HA 0.587 5.137 4.550 -0.000 0.000 0.326 148 Y C -0.052 175.829 175.900 -0.032 0.000 1.151 148 Y CA -0.154 57.926 58.100 -0.032 0.000 1.195 148 Y CB 1.543 39.969 38.460 -0.057 0.000 1.210 148 Y HN 0.419 nan 8.280 nan 0.000 0.483 149 T N 7.680 121.850 114.554 -0.640 0.000 3.105 149 T HA 0.435 4.785 4.350 -0.000 0.000 0.321 149 T C -1.552 172.757 174.700 -0.652 0.000 1.135 149 T CA -0.536 61.236 62.100 -0.547 0.000 1.053 149 T CB 0.450 69.118 68.868 -0.333 0.000 1.133 149 T HN 0.435 nan 8.240 nan 0.000 0.463 150 F N 0.741 120.389 119.950 -0.503 0.000 2.546 150 F HA 0.991 5.518 4.527 -0.000 0.000 0.320 150 F C -0.568 175.095 175.800 -0.227 0.000 1.076 150 F CA -1.515 56.265 58.000 -0.366 0.000 0.928 150 F CB 1.391 40.230 39.000 -0.268 0.000 1.189 150 F HN 0.796 nan 8.300 nan 0.000 0.465 151 A N 2.850 125.676 122.820 0.009 0.000 2.562 151 A HA 0.619 4.939 4.320 -0.000 0.000 0.305 151 A C -1.589 175.950 177.584 -0.076 0.000 1.059 151 A CA -1.001 50.988 52.037 -0.080 0.000 0.835 151 A CB 1.017 19.869 19.000 -0.246 0.000 1.299 151 A HN 0.855 nan 8.150 nan 0.000 0.392 152 K N 1.003 121.370 120.400 -0.055 0.000 2.477 152 K HA 0.605 4.925 4.320 -0.000 0.000 0.255 152 K C -1.248 175.310 176.600 -0.072 0.000 0.952 152 K CA -0.623 55.636 56.287 -0.047 0.000 0.826 152 K CB 2.132 34.657 32.500 0.042 0.000 1.331 152 K HN 0.552 nan 8.250 nan 0.000 0.437 153 F N 1.343 121.300 119.950 0.011 0.000 2.538 153 F HA 0.011 4.538 4.527 -0.000 0.000 0.371 153 F C 1.439 177.247 175.800 0.013 0.000 1.087 153 F CA 0.477 58.481 58.000 0.006 0.000 1.250 153 F CB 1.114 40.124 39.000 0.017 0.000 1.110 153 F HN 0.401 nan 8.300 nan 0.000 0.570 154 S N 2.356 118.203 115.700 0.246 0.000 2.587 154 S HA 0.010 4.480 4.470 -0.000 0.000 0.260 154 S C 1.317 175.992 174.600 0.125 0.000 1.353 154 S CA -0.228 58.058 58.200 0.143 0.000 0.995 154 S CB 0.979 64.245 63.200 0.111 0.000 0.912 154 S HN 0.744 nan 8.310 nan 0.000 0.568 155 T N 2.643 117.239 114.554 0.070 0.000 2.701 155 T HA 0.074 4.424 4.350 -0.000 0.000 0.263 155 T C 1.254 175.978 174.700 0.041 0.000 1.040 155 T CA 1.290 63.412 62.100 0.037 0.000 1.147 155 T CB -0.822 68.046 68.868 -0.001 0.000 0.865 155 T HN 0.813 nan 8.240 nan 0.000 0.426 156 G N 1.886 110.713 108.800 0.044 0.000 3.213 156 G HA2 0.316 4.275 3.960 -0.000 0.000 0.263 156 G HA3 0.316 4.275 3.960 -0.000 0.000 0.263 156 G C 0.020 174.994 174.900 0.124 0.000 0.829 156 G CA -0.401 44.737 45.100 0.063 0.000 1.983 156 G HN 0.281 nan 8.290 nan 0.000 0.616 157 S N 0.643 116.430 115.700 0.144 0.000 4.045 157 S HA -0.100 4.370 4.470 -0.000 0.000 0.208 157 S C 0.448 175.149 174.600 0.169 0.000 0.369 157 S CA 1.558 59.870 58.200 0.187 0.000 1.395 157 S CB -1.109 62.235 63.200 0.241 0.000 1.660 157 S HN 0.951 nan 8.310 nan 0.000 0.307 158 M N 0.721 120.453 119.600 0.219 0.000 3.012 158 M HA 0.614 5.094 4.480 -0.000 0.000 0.272 158 M C -2.289 174.049 176.300 0.063 0.000 1.187 158 M CA -1.147 54.211 55.300 0.097 0.000 0.813 158 M CB 1.026 33.642 32.600 0.026 0.000 1.626 158 M HN 0.164 nan 8.290 nan 0.000 0.507 159 L N 1.723 122.898 121.223 -0.079 0.000 2.323 159 L HA 0.780 5.119 4.340 -0.000 0.000 0.265 159 L C -1.450 175.351 176.870 -0.115 0.000 1.012 159 L CA -0.794 53.945 54.840 -0.168 0.000 0.820 159 L CB 2.226 44.079 42.059 -0.343 0.000 1.334 159 L HN 0.812 nan 8.230 nan 0.000 0.427 160 L N 1.550 122.710 121.223 -0.106 0.000 2.409 160 L HA 0.584 4.924 4.340 -0.000 0.000 0.272 160 L C -0.649 176.129 176.870 -0.153 0.000 0.980 160 L CA -0.243 54.556 54.840 -0.068 0.000 0.826 160 L CB 2.293 44.376 42.059 0.039 0.000 1.268 160 L HN 0.555 nan 8.230 nan 0.000 0.407 161 T N 1.199 115.585 114.554 -0.280 0.000 2.909 161 T HA 0.198 4.548 4.350 -0.000 0.000 0.299 161 T C -0.464 173.810 174.700 -0.709 0.000 1.073 161 T CA -0.800 60.953 62.100 -0.577 0.000 0.999 161 T CB 2.283 70.899 68.868 -0.421 0.000 1.098 161 T HN 0.419 nan 8.240 nan 0.000 0.477 162 K N 2.391 122.002 120.400 -1.314 0.000 2.321 162 K HA -0.103 4.217 4.320 -0.000 0.000 0.266 162 K C -0.731 175.680 176.600 -0.314 0.000 1.215 162 K CA 0.550 56.377 56.287 -0.768 0.000 1.225 162 K CB -0.170 31.958 32.500 -0.619 0.000 0.827 162 K HN 0.508 nan 8.250 nan 0.000 0.478 163 D N 5.712 126.013 120.400 -0.165 0.000 2.464 163 D HA 0.118 4.758 4.640 -0.000 0.000 0.243 163 D C 0.494 176.769 176.300 -0.042 0.000 1.104 163 D CA -0.631 53.309 54.000 -0.100 0.000 0.883 163 D CB 0.600 41.347 40.800 -0.088 0.000 1.050 163 D HN 0.376 nan 8.370 nan 0.000 0.524 164 I N 4.115 124.664 120.570 -0.035 0.000 3.607 164 I HA 0.025 4.195 4.170 -0.000 0.000 0.303 164 I C 0.491 176.601 176.117 -0.011 0.000 1.261 164 I CA 0.277 61.572 61.300 -0.009 0.000 1.215 164 I CB -0.664 37.333 38.000 -0.004 0.000 1.043 164 I HN 0.317 nan 8.210 nan 0.000 0.465 165 V N -0.584 119.319 119.914 -0.017 0.000 3.372 165 V HA 0.315 4.435 4.120 -0.000 0.000 0.304 165 V C 1.417 177.504 176.094 -0.012 0.000 1.530 165 V CA 0.380 62.671 62.300 -0.015 0.000 1.080 165 V CB 0.678 32.488 31.823 -0.022 0.000 0.929 165 V HN 0.448 nan 8.190 nan 0.000 0.455 166 G N -0.095 108.700 108.800 -0.009 0.000 3.226 166 G HA2 0.235 4.195 3.960 -0.000 0.000 0.190 166 G HA3 0.235 4.195 3.960 -0.000 0.000 0.190 166 G C 0.758 175.659 174.900 0.001 0.000 1.988 166 G CA 0.604 45.701 45.100 -0.006 0.000 0.859 166 G HN 0.165 nan 8.290 nan 0.000 0.631 167 K N -0.911 119.493 120.400 0.006 0.000 2.618 167 K HA 0.160 4.480 4.320 -0.000 0.000 0.205 167 K C 0.787 177.396 176.600 0.016 0.000 1.445 167 K CA 0.629 56.921 56.287 0.009 0.000 1.034 167 K CB 0.615 33.119 32.500 0.006 0.000 1.209 167 K HN 0.364 nan 8.250 nan 0.000 0.627 168 S N -1.368 114.346 115.700 0.023 0.000 2.648 168 S HA 0.236 4.706 4.470 -0.000 0.000 0.270 168 S C 0.875 175.509 174.600 0.058 0.000 1.080 168 S CA 1.076 59.297 58.200 0.035 0.000 1.159 168 S CB 0.571 63.792 63.200 0.036 0.000 1.091 168 S HN 0.458 nan 8.310 nan 0.000 0.605 169 G N 0.875 109.707 108.800 0.055 0.000 2.141 169 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 169 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 169 G C 0.106 175.074 174.900 0.113 0.000 0.982 169 G CA 0.423 45.573 45.100 0.082 0.000 0.662 169 G HN 1.587 nan 8.290 nan 0.000 0.527 170 V N -2.366 117.594 119.914 0.077 0.000 3.078 170 V HA 0.973 5.093 4.120 -0.000 0.000 0.311 170 V C -0.107 175.982 176.094 -0.008 0.000 1.138 170 V CA -0.216 62.117 62.300 0.054 0.000 1.007 170 V CB 1.981 33.896 31.823 0.153 0.000 1.045 170 V HN 1.479 nan 8.190 nan 0.000 0.432 171 S N 2.001 117.670 115.700 -0.051 0.000 2.478 171 S HA 0.739 5.209 4.470 -0.000 0.000 0.312 171 S C -0.626 173.947 174.600 -0.045 0.000 1.094 171 S CA -0.572 57.596 58.200 -0.055 0.000 1.081 171 S CB 1.155 64.303 63.200 -0.086 0.000 1.007 171 S HN 0.771 nan 8.310 nan 0.000 0.475 172 I N 3.321 123.874 120.570 -0.028 0.000 2.268 172 I HA 0.170 4.340 4.170 -0.000 0.000 0.298 172 I C 0.360 176.456 176.117 -0.036 0.000 1.185 172 I CA 0.064 61.352 61.300 -0.021 0.000 1.548 172 I CB -0.487 37.509 38.000 -0.007 0.000 1.492 172 I HN 0.403 nan 8.210 nan 0.000 0.711 173 K N 4.343 124.710 120.400 -0.056 0.000 2.349 173 K HA 0.141 4.461 4.320 -0.000 0.000 0.288 173 K C 0.588 177.150 176.600 -0.063 0.000 1.058 173 K CA -0.438 55.806 56.287 -0.071 0.000 0.953 173 K CB 0.524 32.962 32.500 -0.105 0.000 0.997 173 K HN 0.215 nan 8.250 nan 0.000 0.477 174 R N 3.850 124.314 120.500 -0.060 0.000 3.710 174 R HA 0.032 4.372 4.340 -0.000 0.000 0.201 174 R C -0.258 175.991 176.300 -0.085 0.000 1.641 174 R CA -0.513 55.553 56.100 -0.057 0.000 1.390 174 R CB -0.992 29.278 30.300 -0.050 0.000 1.341 174 R HN 0.402 nan 8.270 nan 0.000 0.728 175 L N 4.984 126.132 121.223 -0.125 0.000 2.906 175 L HA -0.074 4.266 4.340 -0.000 0.000 0.292 175 L C -1.874 174.896 176.870 -0.167 0.000 1.130 175 L CA -0.291 54.424 54.840 -0.208 0.000 0.940 175 L CB -0.386 41.419 42.059 -0.422 0.000 1.336 175 L HN 0.510 nan 8.230 nan 0.000 0.469 176 P HA -0.019 nan 4.420 nan 0.000 0.266 176 P C -0.780 176.535 177.300 0.025 0.000 1.186 176 P CA 0.115 63.196 63.100 -0.031 0.000 0.767 176 P CB 0.096 31.785 31.700 -0.017 0.000 0.820 177 T N 2.192 116.790 114.554 0.074 0.000 2.758 177 T HA 0.173 4.523 4.350 -0.000 0.000 0.285 177 T C 1.158 175.939 174.700 0.136 0.000 0.981 177 T CA -0.448 61.740 62.100 0.148 0.000 0.965 177 T CB 1.196 70.162 68.868 0.162 0.000 0.927 177 T HN 0.362 nan 8.240 nan 0.000 0.448 178 E N 1.335 121.628 120.200 0.154 0.000 2.208 178 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 178 E C 0.622 177.282 176.600 0.100 0.000 0.988 178 E CA 0.152 56.624 56.400 0.119 0.000 0.828 178 E CB 0.119 29.897 29.700 0.130 0.000 0.763 178 E HN 0.351 nan 8.360 nan 0.000 0.478 179 L N 2.628 123.916 121.223 0.109 0.000 2.600 179 L HA -0.045 4.295 4.340 -0.000 0.000 0.278 179 L C -0.638 176.237 176.870 0.009 0.000 1.139 179 L CA 0.812 55.690 54.840 0.063 0.000 0.933 179 L CB -0.022 42.071 42.059 0.057 0.000 1.266 179 L HN -0.057 nan 8.230 nan 0.000 0.471 180 Q N 6.552 126.335 119.800 -0.027 0.000 2.508 180 Q HA 0.462 4.802 4.340 -0.000 0.000 0.247 180 Q C -0.581 175.323 176.000 -0.160 0.000 1.047 180 Q CA -0.281 55.486 55.803 -0.060 0.000 0.783 180 Q CB 1.183 29.927 28.738 0.010 0.000 1.172 180 Q HN 0.493 nan 8.270 nan 0.000 0.515 181 R N 2.258 122.535 120.500 -0.371 0.000 3.130 181 R HA 0.111 4.451 4.340 -0.000 0.000 0.261 181 R C 0.036 175.856 176.300 -0.800 0.000 1.683 181 R CA -0.071 55.727 56.100 -0.505 0.000 1.095 181 R CB 0.483 30.454 30.300 -0.549 0.000 1.421 181 R HN 0.389 nan 8.270 nan 0.000 0.454 182 K N 1.820 121.933 120.400 -0.477 0.000 1.989 182 K HA -0.323 3.997 4.320 -0.000 0.000 0.230 182 K C 1.321 177.663 176.600 -0.431 0.000 0.983 182 K CA 2.801 58.887 56.287 -0.335 0.000 1.003 182 K CB -0.672 31.783 32.500 -0.075 0.000 0.756 182 K HN 0.569 nan 8.250 nan 0.000 0.465 183 F N 1.013 120.822 119.950 -0.235 0.000 2.304 183 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 183 F C 1.657 177.221 175.800 -0.392 0.000 1.052 183 F CA 1.148 58.978 58.000 -0.284 0.000 1.389 183 F CB -0.733 38.041 39.000 -0.378 0.000 1.081 183 F HN 0.032 nan 8.300 nan 0.000 0.538 184 L N -0.922 119.772 121.223 -0.882 0.000 2.291 184 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 184 L C 1.630 178.344 176.870 -0.259 0.000 1.120 184 L CA 0.830 55.284 54.840 -0.645 0.000 0.799 184 L CB -0.511 40.993 42.059 -0.925 0.000 0.925 184 L HN 0.210 nan 8.230 nan 0.000 0.446 185 F N -1.237 118.635 119.950 -0.129 0.000 2.692 185 F HA 0.076 4.603 4.527 -0.000 0.000 0.303 185 F C 0.785 176.592 175.800 0.013 0.000 1.114 185 F CA -0.420 57.547 58.000 -0.055 0.000 1.361 185 F CB 0.282 39.244 39.000 -0.064 0.000 1.063 185 F HN 0.006 nan 8.300 nan 0.000 0.550 186 D N 0.521 121.039 120.400 0.196 0.000 2.256 186 D HA 0.071 4.711 4.640 -0.000 0.000 0.246 186 D C 0.132 176.552 176.300 0.200 0.000 1.042 186 D CA -0.210 53.898 54.000 0.181 0.000 0.841 186 D CB 1.553 42.455 40.800 0.170 0.000 1.223 186 D HN 0.090 nan 8.370 nan 0.000 0.470 187 D N 2.406 122.902 120.400 0.159 0.000 2.347 187 D HA -0.046 4.594 4.640 -0.000 0.000 0.213 187 D C 2.016 178.384 176.300 0.112 0.000 0.985 187 D CA 0.383 54.465 54.000 0.136 0.000 0.879 187 D CB 0.902 41.760 40.800 0.097 0.000 0.919 187 D HN 0.181 nan 8.370 nan 0.000 0.526 188 V N 1.005 120.995 119.914 0.127 0.000 2.244 188 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 188 V C 2.233 178.382 176.094 0.092 0.000 1.042 188 V CA 1.406 63.773 62.300 0.112 0.000 1.006 188 V CB -0.702 31.213 31.823 0.154 0.000 0.641 188 V HN 0.135 nan 8.190 nan 0.000 0.446 189 Y N 0.677 120.946 120.300 -0.051 0.000 2.040 189 Y HA -0.342 4.208 4.550 -0.000 0.000 0.275 189 Y C 2.313 178.181 175.900 -0.053 0.000 1.171 189 Y CA 2.367 60.349 58.100 -0.197 0.000 1.123 189 Y CB -0.558 37.745 38.460 -0.261 0.000 0.963 189 Y HN 0.207 nan 8.280 nan 0.000 0.493 190 L N 0.615 121.910 121.223 0.120 0.000 2.129 190 L HA -0.224 4.115 4.340 -0.000 0.000 0.212 190 L C 1.993 178.749 176.870 -0.189 0.000 1.087 190 L CA 2.306 57.106 54.840 -0.067 0.000 0.757 190 L CB -1.001 41.038 42.059 -0.034 0.000 0.896 190 L HN 0.378 nan 8.230 nan 0.000 0.434 191 D N -0.428 119.902 120.400 -0.116 0.000 2.091 191 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 191 D C 2.056 178.258 176.300 -0.163 0.000 0.980 191 D CA 1.186 55.107 54.000 -0.132 0.000 0.831 191 D CB 0.142 40.907 40.800 -0.059 0.000 0.987 191 D HN 0.379 nan 8.370 nan 0.000 0.460 192 K N 0.540 120.859 120.400 -0.134 0.000 2.160 192 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 192 K C 1.990 178.482 176.600 -0.181 0.000 1.047 192 K CA 0.848 57.062 56.287 -0.122 0.000 0.930 192 K CB -0.079 32.388 32.500 -0.055 0.000 0.720 192 K HN 0.218 nan 8.250 nan 0.000 0.450 193 E N 0.660 120.685 120.200 -0.291 0.000 2.482 193 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 193 E C 1.432 177.920 176.600 -0.186 0.000 1.047 193 E CA 0.308 56.569 56.400 -0.233 0.000 0.869 193 E CB 0.228 29.746 29.700 -0.304 0.000 0.836 193 E HN 0.305 nan 8.360 nan 0.000 0.520 194 I N 0.026 120.392 120.570 -0.339 0.000 3.462 194 I HA -0.041 4.129 4.170 -0.000 0.000 0.290 194 I C 1.561 177.525 176.117 -0.255 0.000 1.236 194 I CA 0.279 61.290 61.300 -0.483 0.000 1.418 194 I CB -0.109 37.532 38.000 -0.600 0.000 1.102 194 I HN 0.046 nan 8.210 nan 0.000 0.441 195 E N 1.707 121.800 120.200 -0.177 0.000 2.265 195 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 195 E C 1.480 178.030 176.600 -0.083 0.000 0.996 195 E CA 0.701 57.033 56.400 -0.114 0.000 0.832 195 E CB 0.087 29.737 29.700 -0.084 0.000 0.756 195 E HN 0.393 nan 8.360 nan 0.000 0.491 196 K N 0.567 120.922 120.400 -0.075 0.000 2.426 196 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 196 K C 0.584 177.162 176.600 -0.037 0.000 1.028 196 K CA 0.246 56.511 56.287 -0.036 0.000 1.047 196 K CB 0.678 33.171 32.500 -0.012 0.000 0.821 196 K HN -0.023 nan 8.250 nan 0.000 0.513 197 V N 0.608 120.487 119.914 -0.059 0.000 2.975 197 V HA 0.336 4.456 4.120 -0.000 0.000 0.318 197 V C 0.162 176.207 176.094 -0.083 0.000 1.077 197 V CA -0.784 61.474 62.300 -0.071 0.000 1.000 197 V CB 1.893 33.695 31.823 -0.035 0.000 1.066 197 V HN -0.089 nan 8.190 nan 0.000 0.452 198 T N 4.306 118.814 114.554 -0.078 0.000 3.009 198 T HA 0.478 4.828 4.350 -0.000 0.000 0.346 198 T C -0.475 174.194 174.700 -0.052 0.000 1.092 198 T CA -0.206 61.864 62.100 -0.051 0.000 1.080 198 T CB 0.116 68.975 68.868 -0.014 0.000 1.037 198 T HN 0.433 nan 8.240 nan 0.000 0.487 199 I N 2.536 123.066 120.570 -0.066 0.000 2.395 199 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 199 I C 0.501 176.597 176.117 -0.034 0.000 1.023 199 I CA -0.636 60.629 61.300 -0.058 0.000 1.350 199 I CB 0.769 38.729 38.000 -0.067 0.000 1.409 199 I HN 0.625 nan 8.210 nan 0.000 0.507 200 E N 4.583 124.771 120.200 -0.019 0.000 2.266 200 E HA 0.670 5.020 4.350 -0.000 0.000 0.268 200 E C -1.214 175.385 176.600 -0.001 0.000 0.879 200 E CA -0.865 55.530 56.400 -0.008 0.000 0.762 200 E CB 2.438 32.140 29.700 0.004 0.000 1.199 200 E HN 0.759 nan 8.360 nan 0.000 0.422 201 A N 4.031 126.850 122.820 -0.003 0.000 2.425 201 A HA 0.308 4.628 4.320 -0.000 0.000 0.249 201 A C 0.338 177.934 177.584 0.020 0.000 1.084 201 A CA -0.503 51.537 52.037 0.006 0.000 0.781 201 A CB 0.417 19.410 19.000 -0.012 0.000 1.019 201 A HN 0.625 nan 8.150 nan 0.000 0.490 202 R N 0.698 121.223 120.500 0.042 0.000 2.924 202 R HA 0.019 4.359 4.340 -0.000 0.000 0.272 202 R C 0.248 176.568 176.300 0.033 0.000 1.012 202 R CA 0.436 56.563 56.100 0.045 0.000 1.171 202 R CB 0.040 30.383 30.300 0.071 0.000 1.086 202 R HN 0.735 nan 8.270 nan 0.000 0.489 203 K N 0.237 120.655 120.400 0.030 0.000 2.576 203 K HA 0.119 4.439 4.320 -0.000 0.000 0.209 203 K C -0.023 176.593 176.600 0.027 0.000 1.049 203 K CA 0.226 56.527 56.287 0.023 0.000 1.140 203 K CB 0.455 32.965 32.500 0.018 0.000 0.871 203 K HN 0.597 nan 8.250 nan 0.000 0.479 204 S N -0.464 115.259 115.700 0.038 0.000 2.967 204 S HA 0.075 4.545 4.470 -0.000 0.000 0.236 204 S C -0.651 173.984 174.600 0.059 0.000 0.804 204 S CA -0.773 57.451 58.200 0.041 0.000 1.223 204 S CB -0.692 62.531 63.200 0.037 0.000 1.268 204 S HN 0.448 nan 8.310 nan 0.000 0.573 205 N N -0.782 117.958 118.700 0.067 0.000 5.613 205 N HA 0.135 4.874 4.740 -0.000 0.000 0.169 205 N C -3.394 172.165 175.510 0.081 0.000 1.041 205 N CA -0.739 52.369 53.050 0.098 0.000 0.945 205 N CB -0.261 38.332 38.487 0.176 0.000 1.566 205 N HN -0.126 nan 8.380 nan 0.000 0.668 206 P HA 0.040 nan 4.420 nan 0.000 0.269 206 P C -0.806 176.397 177.300 -0.161 0.000 1.376 206 P CA 0.616 63.666 63.100 -0.084 0.000 0.775 206 P CB -0.544 31.069 31.700 -0.145 0.000 1.345 207 Y N 2.273 122.570 120.300 -0.005 0.000 2.310 207 Y HA 0.279 4.829 4.550 -0.000 0.000 0.326 207 Y C -1.310 174.584 175.900 -0.011 0.000 1.151 207 Y CA -2.510 55.586 58.100 -0.007 0.000 1.195 207 Y CB 0.496 38.953 38.460 -0.004 0.000 1.210 207 Y HN -0.015 nan 8.280 nan 0.000 0.483 208 P HA -0.035 nan 4.420 nan 0.000 0.273 208 P C -1.416 175.919 177.300 0.059 0.000 1.258 208 P CA 0.069 63.208 63.100 0.064 0.000 0.802 208 P CB 0.738 32.467 31.700 0.047 0.000 1.040 209 Q N -1.133 118.669 119.800 0.003 0.000 3.482 209 Q HA 0.154 4.494 4.340 -0.000 0.000 0.150 209 Q C -1.052 174.914 176.000 -0.058 0.000 0.936 209 Q CA -0.353 55.435 55.803 -0.025 0.000 1.338 209 Q CB -0.398 28.350 28.738 0.017 0.000 1.407 209 Q HN 0.224 nan 8.270 nan 0.000 0.638 210 I N 1.316 121.776 120.570 -0.183 0.000 3.076 210 I HA -0.191 3.979 4.170 -0.000 0.000 0.321 210 I C 1.264 177.419 176.117 0.063 0.000 1.216 210 I CA 1.263 62.443 61.300 -0.201 0.000 1.460 210 I CB 0.571 38.176 38.000 -0.658 0.000 1.313 210 I HN 0.683 nan 8.210 nan 0.000 0.546 211 S N 4.051 119.804 115.700 0.087 0.000 2.566 211 S HA 0.221 4.691 4.470 -0.000 0.000 0.234 211 S C 0.493 175.273 174.600 0.300 0.000 1.075 211 S CA 0.154 58.450 58.200 0.160 0.000 0.926 211 S CB 0.283 63.523 63.200 0.066 0.000 0.811 211 S HN 0.633 nan 8.310 nan 0.000 0.518 212 E N 1.213 121.531 120.200 0.197 0.000 2.272 212 E HA 0.515 4.865 4.350 -0.000 0.000 0.269 212 E C -1.577 175.001 176.600 -0.037 0.000 0.877 212 E CA -0.260 56.258 56.400 0.196 0.000 0.755 212 E CB 1.909 31.667 29.700 0.097 0.000 1.192 212 E HN 0.196 nan 8.360 nan 0.000 0.422 213 S N 0.520 116.174 115.700 -0.078 0.000 2.536 213 S HA 0.460 4.930 4.470 -0.000 0.000 0.287 213 S C -0.276 174.302 174.600 -0.036 0.000 1.101 213 S CA -0.418 57.611 58.200 -0.286 0.000 0.950 213 S CB 0.949 63.617 63.200 -0.888 0.000 1.056 213 S HN 0.418 nan 8.310 nan 0.000 0.481 214 S N 4.188 119.875 115.700 -0.021 0.000 2.941 214 S HA 0.365 4.835 4.470 -0.000 0.000 0.251 214 S C -0.350 174.275 174.600 0.043 0.000 1.029 214 S CA -0.546 57.673 58.200 0.032 0.000 1.062 214 S CB -0.123 63.095 63.200 0.029 0.000 0.977 214 S HN 0.519 nan 8.310 nan 0.000 0.552 215 L N 2.537 123.776 121.223 0.026 0.000 2.380 215 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 215 L C -0.113 176.841 176.870 0.141 0.000 1.138 215 L CA 0.140 55.037 54.840 0.096 0.000 0.832 215 L CB 0.591 42.650 42.059 -0.001 0.000 1.124 215 L HN 0.473 nan 8.230 nan 0.000 0.454 216 L N 2.570 123.894 121.223 0.169 0.000 2.422 216 L HA 0.354 4.694 4.340 -0.000 0.000 0.264 216 L C 0.686 177.570 176.870 0.024 0.000 0.984 216 L CA -0.695 54.200 54.840 0.091 0.000 0.819 216 L CB 1.608 43.746 42.059 0.132 0.000 1.330 216 L HN 0.270 nan 8.230 nan 0.000 0.410 217 F N 0.506 120.361 119.950 -0.158 0.000 2.184 217 F HA -0.244 4.282 4.527 -0.000 0.000 0.301 217 F C 2.461 178.328 175.800 0.112 0.000 1.076 217 F CA 1.577 59.504 58.000 -0.121 0.000 1.295 217 F CB -0.419 38.460 39.000 -0.201 0.000 1.026 217 F HN 0.602 nan 8.300 nan 0.000 0.494 218 K N 0.697 121.247 120.400 0.250 0.000 2.034 218 K HA -0.274 4.046 4.320 -0.000 0.000 0.214 218 K C 1.700 178.398 176.600 0.162 0.000 1.051 218 K CA 2.245 58.631 56.287 0.165 0.000 0.931 218 K CB -0.403 32.166 32.500 0.114 0.000 0.715 218 K HN 0.155 nan 8.250 nan 0.000 0.446 219 D N 0.363 120.864 120.400 0.167 0.000 2.205 219 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 219 D C 1.722 178.130 176.300 0.179 0.000 1.002 219 D CA 1.934 56.034 54.000 0.167 0.000 0.848 219 D CB -0.693 40.232 40.800 0.209 0.000 0.975 219 D HN 0.437 nan 8.370 nan 0.000 0.449 220 A N 0.368 123.318 122.820 0.217 0.000 2.298 220 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 220 A C 2.329 179.890 177.584 -0.039 0.000 1.193 220 A CA 0.724 52.785 52.037 0.041 0.000 0.697 220 A CB -0.860 17.919 19.000 -0.368 0.000 0.774 220 A HN 0.276 nan 8.150 nan 0.000 0.492 221 L N -0.981 120.298 121.223 0.093 0.000 2.156 221 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 221 L C 1.794 178.721 176.870 0.095 0.000 1.095 221 L CA 1.104 56.077 54.840 0.222 0.000 0.770 221 L CB -0.556 41.703 42.059 0.333 0.000 0.914 221 L HN 0.329 nan 8.230 nan 0.000 0.439 222 D N -0.100 120.228 120.400 -0.120 0.000 2.218 222 D HA -0.195 4.445 4.640 -0.000 0.000 0.204 222 D C 1.471 177.536 176.300 -0.392 0.000 0.976 222 D CA 1.527 55.337 54.000 -0.316 0.000 0.853 222 D CB -0.061 40.426 40.800 -0.523 0.000 0.939 222 D HN 0.439 nan 8.370 nan 0.000 0.481 223 Y N -0.128 120.097 120.300 -0.125 0.000 2.462 223 Y HA 0.215 4.765 4.550 -0.000 0.000 0.293 223 Y C 1.032 176.897 175.900 -0.059 0.000 1.195 223 Y CA -0.188 57.819 58.100 -0.154 0.000 1.276 223 Y CB -0.226 37.952 38.460 -0.470 0.000 1.082 223 Y HN -0.188 nan 8.280 nan 0.000 0.514 224 M N -0.905 118.722 119.600 0.045 0.000 2.658 224 M HA 0.341 4.821 4.480 -0.000 0.000 0.295 224 M C -0.610 175.645 176.300 -0.076 0.000 1.248 224 M CA -0.910 54.432 55.300 0.071 0.000 0.843 224 M CB 2.121 34.815 32.600 0.158 0.000 1.749 224 M HN -0.094 nan 8.290 nan 0.000 0.464 225 E N 1.417 121.583 120.200 -0.056 0.000 2.316 225 E HA 0.106 4.456 4.350 -0.000 0.000 0.275 225 E C -0.065 176.323 176.600 -0.353 0.000 1.029 225 E CA -0.035 56.276 56.400 -0.148 0.000 0.871 225 E CB 1.069 30.743 29.700 -0.043 0.000 1.022 225 E HN 0.491 nan 8.360 nan 0.000 0.418 226 K N 1.375 121.438 120.400 -0.561 0.000 2.633 226 K HA -0.066 4.254 4.320 -0.000 0.000 0.193 226 K C 1.167 177.680 176.600 -0.145 0.000 1.033 226 K CA 0.625 56.426 56.287 -0.811 0.000 0.980 226 K CB 0.199 32.399 32.500 -0.501 0.000 0.800 226 K HN 0.311 nan 8.250 nan 0.000 0.493 227 T N 0.058 114.575 114.554 -0.060 0.000 2.978 227 T HA -0.013 4.337 4.350 -0.000 0.000 0.248 227 T C 0.445 175.202 174.700 0.096 0.000 1.018 227 T CA -0.053 62.070 62.100 0.038 0.000 1.026 227 T CB 0.326 69.198 68.868 0.007 0.000 1.032 227 T HN 0.288 nan 8.240 nan 0.000 0.485 228 S N 1.930 117.694 115.700 0.108 0.000 2.560 228 S HA 0.092 4.562 4.470 -0.000 0.000 0.284 228 S C 1.631 176.353 174.600 0.203 0.000 1.327 228 S CA 0.082 58.365 58.200 0.140 0.000 1.055 228 S CB 1.141 64.423 63.200 0.137 0.000 0.868 228 S HN 0.402 nan 8.310 nan 0.000 0.506 229 S N 0.697 116.495 115.700 0.162 0.000 2.442 229 S HA -0.198 4.272 4.470 -0.000 0.000 0.236 229 S C 1.216 175.946 174.600 0.216 0.000 1.007 229 S CA 1.254 59.556 58.200 0.170 0.000 0.965 229 S CB -0.590 62.684 63.200 0.123 0.000 0.773 229 S HN 0.806 nan 8.310 nan 0.000 0.504 230 D N 0.622 121.168 120.400 0.244 0.000 2.117 230 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 230 D C 1.651 178.230 176.300 0.464 0.000 0.982 230 D CA 1.030 55.231 54.000 0.334 0.000 0.828 230 D CB -0.518 40.460 40.800 0.296 0.000 0.967 230 D HN 0.482 nan 8.370 nan 0.000 0.464 231 Y N 1.508 121.957 120.300 0.248 0.000 2.114 231 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 231 Y C 1.935 178.012 175.900 0.295 0.000 1.165 231 Y CA 1.786 60.035 58.100 0.248 0.000 1.148 231 Y CB -0.621 37.937 38.460 0.162 0.000 0.972 231 Y HN -0.012 nan 8.280 nan 0.000 0.504 232 N N 0.459 119.330 118.700 0.285 0.000 2.094 232 N HA -0.235 4.505 4.740 -0.000 0.000 0.191 232 N C 2.128 177.723 175.510 0.141 0.000 1.023 232 N CA 1.528 54.736 53.050 0.263 0.000 0.857 232 N CB -0.779 37.904 38.487 0.325 0.000 1.013 232 N HN 0.462 nan 8.380 nan 0.000 0.426 233 L N -0.808 120.494 121.223 0.130 0.000 1.994 233 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 233 L C 1.930 178.741 176.870 -0.098 0.000 1.071 233 L CA 1.390 56.200 54.840 -0.052 0.000 0.745 233 L CB -0.275 41.709 42.059 -0.125 0.000 0.892 233 L HN 0.198 nan 8.230 nan 0.000 0.431 234 W N 0.367 121.687 121.300 0.034 0.000 2.358 234 W HA -0.236 4.424 4.660 -0.000 0.000 0.303 234 W C 2.634 179.068 176.519 -0.141 0.000 1.208 234 W CA 1.366 58.764 57.345 0.088 0.000 1.274 234 W CB -0.526 29.019 29.460 0.142 0.000 1.138 234 W HN 0.080 nan 8.180 nan 0.000 0.515 235 K N 0.889 121.218 120.400 -0.118 0.000 1.969 235 K HA -0.221 4.099 4.320 -0.000 0.000 0.216 235 K C 1.963 178.275 176.600 -0.480 0.000 1.048 235 K CA 1.876 57.964 56.287 -0.332 0.000 0.948 235 K CB -1.293 30.956 32.500 -0.418 0.000 0.726 235 K HN 0.062 nan 8.250 nan 0.000 0.442 236 L N 0.801 121.595 121.223 -0.715 0.000 2.081 236 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 236 L C 1.888 178.277 176.870 -0.803 0.000 1.080 236 L CA 2.100 56.284 54.840 -1.093 0.000 0.754 236 L CB -0.873 40.366 42.059 -1.366 0.000 0.893 236 L HN 0.256 nan 8.230 nan 0.000 0.433 237 S N -1.326 113.996 115.700 -0.631 0.000 2.423 237 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 237 S C 2.044 176.177 174.600 -0.779 0.000 1.014 237 S CA 1.179 58.938 58.200 -0.736 0.000 0.965 237 S CB -0.336 62.310 63.200 -0.924 0.000 0.785 237 S HN 0.690 nan 8.310 nan 0.000 0.495 238 S N 1.483 116.890 115.700 -0.489 0.000 2.336 238 S HA 0.058 4.527 4.470 -0.000 0.000 0.216 238 S C 1.806 176.229 174.600 -0.294 0.000 1.032 238 S CA 0.620 58.677 58.200 -0.238 0.000 0.973 238 S CB -0.473 62.675 63.200 -0.086 0.000 0.888 238 S HN 0.443 nan 8.310 nan 0.000 0.455 239 I N 1.588 121.927 120.570 -0.385 0.000 2.181 239 I HA -0.265 3.905 4.170 -0.000 0.000 0.247 239 I C 2.077 177.916 176.117 -0.464 0.000 1.081 239 I CA 1.559 62.624 61.300 -0.392 0.000 1.340 239 I CB -0.352 37.342 38.000 -0.510 0.000 1.036 239 I HN 0.369 nan 8.210 nan 0.000 0.417 240 L N -1.626 119.183 121.223 -0.690 0.000 2.307 240 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 240 L C 1.998 178.326 176.870 -0.903 0.000 1.099 240 L CA 0.926 55.162 54.840 -1.007 0.000 0.816 240 L CB -0.242 40.896 42.059 -1.535 0.000 0.952 240 L HN 0.144 nan 8.230 nan 0.000 0.455 241 F N -1.423 118.317 119.950 -0.349 0.000 2.557 241 F HA 0.122 4.649 4.527 -0.000 0.000 0.278 241 F C 0.807 176.582 175.800 -0.042 0.000 1.051 241 F CA -0.770 57.134 58.000 -0.161 0.000 1.357 241 F CB 0.202 39.075 39.000 -0.211 0.000 1.104 241 F HN -0.151 nan 8.300 nan 0.000 0.654 242 D N 3.748 124.232 120.400 0.140 0.000 2.488 242 D HA 0.030 4.670 4.640 -0.000 0.000 0.238 242 D C -2.094 174.255 176.300 0.081 0.000 1.138 242 D CA -0.801 53.284 54.000 0.142 0.000 0.873 242 D CB 0.141 41.009 40.800 0.112 0.000 1.183 242 D HN 0.015 nan 8.370 nan 0.000 0.458 243 P HA 0.011 nan 4.420 nan 0.000 0.269 243 P C -0.405 176.922 177.300 0.045 0.000 1.209 243 P CA -0.276 62.864 63.100 0.068 0.000 0.776 243 P CB 0.800 32.545 31.700 0.075 0.000 0.876 244 V N 2.461 122.397 119.914 0.036 0.000 2.617 244 V HA 0.353 4.473 4.120 -0.000 0.000 0.298 244 V C 0.743 176.865 176.094 0.046 0.000 1.048 244 V CA -0.270 62.049 62.300 0.032 0.000 0.964 244 V CB 1.462 33.303 31.823 0.029 0.000 1.004 244 V HN 0.756 nan 8.190 nan 0.000 0.466 245 S N 2.720 118.444 115.700 0.040 0.000 2.472 245 S HA 0.667 5.137 4.470 -0.000 0.000 0.303 245 S C -1.195 173.433 174.600 0.047 0.000 1.099 245 S CA -0.633 57.587 58.200 0.033 0.000 1.077 245 S CB 1.307 64.503 63.200 -0.006 0.000 1.031 245 S HN 0.594 nan 8.310 nan 0.000 0.487 246 Y N 4.267 124.506 120.300 -0.102 0.000 2.447 246 Y HA 0.411 4.961 4.550 -0.000 0.000 0.325 246 Y C -1.623 174.144 175.900 -0.222 0.000 0.976 246 Y CA -2.088 55.911 58.100 -0.168 0.000 1.280 246 Y CB 1.410 39.815 38.460 -0.091 0.000 1.104 246 Y HN 0.606 nan 8.280 nan 0.000 0.486 247 P HA -0.180 nan 4.420 nan 0.000 0.216 247 P C -0.394 176.619 177.300 -0.478 0.000 1.150 247 P CA 1.231 63.956 63.100 -0.624 0.000 0.837 247 P CB 0.191 31.434 31.700 -0.762 0.000 0.786 248 Y N 0.988 121.012 120.300 -0.460 0.000 2.359 248 Y HA 0.228 4.777 4.550 -0.000 0.000 0.334 248 Y C 1.262 177.157 175.900 -0.008 0.000 1.058 248 Y CA -1.225 56.740 58.100 -0.225 0.000 1.244 248 Y CB 0.592 38.903 38.460 -0.249 0.000 1.187 248 Y HN -0.255 nan 8.280 nan 0.000 0.510 249 K N 2.654 123.161 120.400 0.177 0.000 2.350 249 K HA 0.208 4.528 4.320 -0.000 0.000 0.279 249 K C -0.338 176.370 176.600 0.180 0.000 1.027 249 K CA -0.235 56.145 56.287 0.155 0.000 0.969 249 K CB 0.677 33.234 32.500 0.096 0.000 0.954 249 K HN 0.598 nan 8.250 nan 0.000 0.474 250 T N 2.059 116.711 114.554 0.164 0.000 2.829 250 T HA 0.063 4.413 4.350 -0.000 0.000 0.282 250 T C 0.766 175.512 174.700 0.078 0.000 0.990 250 T CA -0.832 61.345 62.100 0.128 0.000 1.028 250 T CB 1.198 70.130 68.868 0.106 0.000 0.951 250 T HN 0.464 nan 8.240 nan 0.000 0.460 251 D N 1.678 122.115 120.400 0.062 0.000 2.149 251 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 251 D C 0.882 177.202 176.300 0.033 0.000 1.001 251 D CA 1.592 55.617 54.000 0.042 0.000 0.849 251 D CB 0.191 41.010 40.800 0.032 0.000 0.939 251 D HN 0.470 nan 8.370 nan 0.000 0.449 252 N N 0.100 118.818 118.700 0.030 0.000 2.328 252 N HA -0.014 4.726 4.740 -0.000 0.000 0.299 252 N C -0.304 175.219 175.510 0.022 0.000 1.179 252 N CA -0.420 52.643 53.050 0.021 0.000 0.793 252 N CB 2.329 40.824 38.487 0.012 0.000 1.366 252 N HN -0.292 nan 8.380 nan 0.000 0.493 253 D N 0.429 120.839 120.400 0.017 0.000 2.350 253 D HA 0.054 4.694 4.640 -0.000 0.000 0.213 253 D C 0.606 176.909 176.300 0.004 0.000 1.031 253 D CA 0.600 54.609 54.000 0.016 0.000 0.861 253 D CB 0.660 41.471 40.800 0.017 0.000 0.926 253 D HN 0.582 nan 8.370 nan 0.000 0.520 254 Q N -0.322 119.477 119.800 -0.002 0.000 2.354 254 Q HA 0.015 4.355 4.340 -0.000 0.000 0.203 254 Q C 2.225 178.213 176.000 -0.020 0.000 0.933 254 Q CA 0.400 56.197 55.803 -0.010 0.000 0.901 254 Q CB 0.711 29.444 28.738 -0.009 0.000 1.007 254 Q HN 0.125 nan 8.270 nan 0.000 0.495 255 V N 1.462 121.365 119.914 -0.019 0.000 2.488 255 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 255 V C 2.274 178.328 176.094 -0.066 0.000 1.046 255 V CA 1.578 63.858 62.300 -0.033 0.000 1.053 255 V CB -0.407 31.408 31.823 -0.014 0.000 0.679 255 V HN 0.281 nan 8.190 nan 0.000 0.458 256 K N -0.281 120.091 120.400 -0.047 0.000 1.991 256 K HA -0.237 4.083 4.320 -0.000 0.000 0.212 256 K C 2.335 178.868 176.600 -0.111 0.000 1.049 256 K CA 1.850 58.089 56.287 -0.079 0.000 0.932 256 K CB -0.212 32.289 32.500 0.002 0.000 0.717 256 K HN 0.171 nan 8.250 nan 0.000 0.441 257 M N 0.636 120.202 119.600 -0.055 0.000 2.113 257 M HA -0.245 4.235 4.480 -0.000 0.000 0.255 257 M C 2.407 178.667 176.300 -0.067 0.000 1.073 257 M CA 2.078 57.351 55.300 -0.045 0.000 1.091 257 M CB -1.462 31.125 32.600 -0.023 0.000 1.309 257 M HN 0.370 nan 8.290 nan 0.000 0.407 258 A N -0.080 122.696 122.820 -0.073 0.000 1.908 258 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 258 A C 2.316 179.830 177.584 -0.117 0.000 1.181 258 A CA 1.574 53.565 52.037 -0.077 0.000 0.627 258 A CB -0.924 18.036 19.000 -0.065 0.000 0.818 258 A HN 0.526 nan 8.150 nan 0.000 0.445 259 L N -0.843 120.258 121.223 -0.203 0.000 2.141 259 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 259 L C 2.447 179.138 176.870 -0.299 0.000 1.094 259 L CA 0.708 55.349 54.840 -0.333 0.000 0.763 259 L CB -0.480 41.165 42.059 -0.689 0.000 0.908 259 L HN 0.365 nan 8.230 nan 0.000 0.437 260 L N -0.036 121.049 121.223 -0.230 0.000 2.141 260 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 260 L C 2.687 179.533 176.870 -0.040 0.000 1.094 260 L CA 1.217 55.994 54.840 -0.106 0.000 0.763 260 L CB -0.446 41.582 42.059 -0.053 0.000 0.908 260 L HN 0.267 nan 8.230 nan 0.000 0.437 261 K N 0.087 120.465 120.400 -0.037 0.000 2.062 261 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 261 K C 2.167 178.786 176.600 0.031 0.000 1.051 261 K CA 0.901 57.194 56.287 0.010 0.000 0.941 261 K CB 0.208 32.711 32.500 0.005 0.000 0.719 261 K HN -0.002 nan 8.250 nan 0.000 0.440 262 K N 1.278 121.671 120.400 -0.011 0.000 2.057 262 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 262 K C 1.987 178.631 176.600 0.072 0.000 1.049 262 K CA 1.425 57.721 56.287 0.016 0.000 0.931 262 K CB -0.365 32.123 32.500 -0.020 0.000 0.714 262 K HN 0.220 nan 8.250 nan 0.000 0.440 263 E N 1.186 121.409 120.200 0.038 0.000 2.021 263 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 263 E C 2.126 178.757 176.600 0.052 0.000 1.015 263 E CA 1.615 58.051 56.400 0.060 0.000 0.824 263 E CB -0.155 29.584 29.700 0.065 0.000 0.762 263 E HN 0.194 nan 8.360 nan 0.000 0.454 264 R N -0.643 119.877 120.500 0.034 0.000 2.091 264 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 264 R C 2.636 178.941 176.300 0.007 0.000 1.136 264 R CA 1.835 57.932 56.100 -0.004 0.000 0.959 264 R CB -0.548 29.741 30.300 -0.018 0.000 0.856 264 R HN 0.461 nan 8.270 nan 0.000 0.437 265 H N -0.102 118.955 119.070 -0.022 0.000 2.387 265 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 265 H C 2.117 177.437 175.328 -0.012 0.000 1.090 265 H CA 1.765 57.805 56.048 -0.014 0.000 1.332 265 H CB -0.445 29.317 29.762 -0.001 0.000 1.386 265 H HN 0.375 nan 8.280 nan 0.000 0.516 266 C N 1.623 121.002 119.300 0.131 0.000 2.446 266 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 266 C C 3.003 177.993 174.990 0.000 0.000 1.275 266 C CA 0.525 59.592 59.018 0.081 0.000 1.727 266 C CB -0.829 26.973 27.740 0.104 0.000 2.010 266 C HN 0.506 nan 8.230 nan 0.000 0.486 267 R N 0.543 121.038 120.500 -0.008 0.000 2.062 267 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 267 R C 2.046 178.331 176.300 -0.025 0.000 1.136 267 R CA 1.286 57.377 56.100 -0.015 0.000 0.948 267 R CB -1.604 28.670 30.300 -0.044 0.000 0.845 267 R HN 0.551 nan 8.270 nan 0.000 0.430 268 L N 1.025 122.190 121.223 -0.097 0.000 2.042 268 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 268 L C 2.315 179.178 176.870 -0.012 0.000 1.076 268 L CA 2.266 57.053 54.840 -0.089 0.000 0.749 268 L CB -1.122 40.843 42.059 -0.158 0.000 0.893 268 L HN 0.181 nan 8.230 nan 0.000 0.432 269 T N -1.896 112.565 114.554 -0.154 0.000 2.867 269 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 269 T C 1.900 176.567 174.700 -0.055 0.000 1.057 269 T CA 1.541 63.540 62.100 -0.169 0.000 1.136 269 T CB -0.220 68.454 68.868 -0.324 0.000 0.874 269 T HN 0.553 nan 8.240 nan 0.000 0.466 270 S N -0.279 115.418 115.700 -0.004 0.000 2.406 270 S HA -0.022 4.447 4.470 -0.000 0.000 0.228 270 S C 1.362 176.000 174.600 0.064 0.000 1.020 270 S CA 0.917 59.131 58.200 0.023 0.000 0.965 270 S CB -0.363 62.859 63.200 0.038 0.000 0.798 270 S HN 0.774 nan 8.310 nan 0.000 0.488 271 W N 2.369 123.619 121.300 -0.083 0.000 2.407 271 W HA 0.068 4.728 4.660 -0.000 0.000 0.305 271 W C 1.610 178.083 176.519 -0.078 0.000 1.196 271 W CA 0.797 58.098 57.345 -0.074 0.000 1.311 271 W CB -0.385 29.022 29.460 -0.088 0.000 1.135 271 W HN 0.123 nan 8.180 nan 0.000 0.514 272 I N 0.546 121.216 120.570 0.165 0.000 2.315 272 I HA -0.333 3.837 4.170 -0.000 0.000 0.251 272 I C 1.953 177.914 176.117 -0.259 0.000 1.125 272 I CA 1.337 62.580 61.300 -0.095 0.000 1.392 272 I CB -0.856 37.148 38.000 0.007 0.000 1.065 272 I HN -0.131 nan 8.210 nan 0.000 0.424 273 V N -0.077 119.732 119.914 -0.174 0.000 2.626 273 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 273 V C 2.415 178.388 176.094 -0.203 0.000 1.067 273 V CA 1.640 63.839 62.300 -0.169 0.000 1.081 273 V CB -0.439 31.321 31.823 -0.106 0.000 0.686 273 V HN 0.367 nan 8.190 nan 0.000 0.468 274 S N -0.233 115.306 115.700 -0.268 0.000 2.348 274 S HA -0.216 4.254 4.470 -0.000 0.000 0.221 274 S C 2.040 176.446 174.600 -0.323 0.000 1.033 274 S CA 1.321 59.357 58.200 -0.275 0.000 1.010 274 S CB -0.315 62.681 63.200 -0.341 0.000 0.891 274 S HN 0.593 nan 8.310 nan 0.000 0.442 275 Q N 1.421 120.915 119.800 -0.510 0.000 1.975 275 Q HA -0.121 4.219 4.340 -0.000 0.000 0.205 275 Q C 2.433 178.258 176.000 -0.291 0.000 0.990 275 Q CA 1.553 57.082 55.803 -0.457 0.000 0.845 275 Q CB -1.027 27.311 28.738 -0.665 0.000 0.913 275 Q HN 0.802 nan 8.270 nan 0.000 0.420 276 I N -1.866 118.538 120.570 -0.276 0.000 2.756 276 I HA 0.003 4.173 4.170 -0.000 0.000 0.262 276 I C 1.952 177.989 176.117 -0.134 0.000 1.225 276 I CA 1.019 62.206 61.300 -0.188 0.000 1.472 276 I CB -0.976 36.916 38.000 -0.180 0.000 1.094 276 I HN 0.038 nan 8.210 nan 0.000 0.454 277 G N 3.385 112.099 108.800 -0.143 0.000 2.875 277 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.227 277 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.227 277 G C -0.103 174.751 174.900 -0.076 0.000 1.259 277 G CA 1.866 46.905 45.100 -0.101 0.000 0.780 277 G HN 0.414 nan 8.290 nan 0.000 0.685 278 P HA -0.186 nan 4.420 nan 0.000 0.216 278 P C 1.575 178.847 177.300 -0.046 0.000 1.157 278 P CA 2.107 65.175 63.100 -0.053 0.000 0.880 278 P CB -0.252 31.416 31.700 -0.053 0.000 0.791 279 E N -0.287 119.882 120.200 -0.051 0.000 2.065 279 E HA -0.209 4.141 4.350 -0.000 0.000 0.201 279 E C 2.077 178.674 176.600 -0.005 0.000 1.016 279 E CA 1.548 57.930 56.400 -0.031 0.000 0.818 279 E CB -0.361 29.321 29.700 -0.029 0.000 0.749 279 E HN 0.025 nan 8.360 nan 0.000 0.453 280 I N 1.006 121.574 120.570 -0.003 0.000 2.252 280 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 280 I C 2.344 178.438 176.117 -0.038 0.000 1.102 280 I CA 1.332 62.639 61.300 0.012 0.000 1.385 280 I CB -1.224 36.762 38.000 -0.023 0.000 1.064 280 I HN 0.243 nan 8.210 nan 0.000 0.414 281 E N 0.413 120.579 120.200 -0.057 0.000 2.118 281 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 281 E C 2.130 178.700 176.600 -0.050 0.000 0.992 281 E CA 1.105 57.465 56.400 -0.067 0.000 0.804 281 E CB 0.074 29.747 29.700 -0.046 0.000 0.741 281 E HN 0.265 nan 8.360 nan 0.000 0.458 282 E N 0.900 121.079 120.200 -0.035 0.000 2.031 282 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 282 E C 1.808 178.392 176.600 -0.026 0.000 0.994 282 E CA 1.264 57.647 56.400 -0.028 0.000 0.800 282 E CB -0.000 29.683 29.700 -0.027 0.000 0.752 282 E HN 0.159 nan 8.360 nan 0.000 0.447 283 K N 0.048 120.438 120.400 -0.017 0.000 2.147 283 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 283 K C 2.279 178.873 176.600 -0.009 0.000 1.049 283 K CA 0.983 57.270 56.287 -0.002 0.000 0.936 283 K CB -0.119 32.413 32.500 0.052 0.000 0.722 283 K HN 0.191 nan 8.250 nan 0.000 0.446 284 I N 0.248 120.788 120.570 -0.049 0.000 2.439 284 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 284 I C 2.527 178.616 176.117 -0.047 0.000 1.139 284 I CA 0.743 61.987 61.300 -0.093 0.000 1.438 284 I CB -0.181 37.682 38.000 -0.229 0.000 1.085 284 I HN 0.142 nan 8.210 nan 0.000 0.427 285 R N 1.176 121.656 120.500 -0.034 0.000 2.091 285 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 285 R C 1.739 178.035 176.300 -0.007 0.000 1.136 285 R CA 1.772 57.863 56.100 -0.015 0.000 0.959 285 R CB -0.067 30.224 30.300 -0.015 0.000 0.856 285 R HN 0.443 nan 8.270 nan 0.000 0.437 286 N N 0.079 118.774 118.700 -0.009 0.000 2.392 286 N HA -0.053 4.687 4.740 -0.000 0.000 0.177 286 N C 0.204 175.716 175.510 0.003 0.000 1.066 286 N CA 0.547 53.594 53.050 -0.004 0.000 0.895 286 N CB 0.079 38.560 38.487 -0.009 0.000 0.988 286 N HN 0.106 nan 8.380 nan 0.000 0.457 287 S N 0.181 115.885 115.700 0.008 0.000 2.563 287 S HA 0.081 4.551 4.470 -0.000 0.000 0.294 287 S C 0.851 175.463 174.600 0.021 0.000 1.279 287 S CA -0.343 57.869 58.200 0.020 0.000 1.069 287 S CB 0.701 63.920 63.200 0.031 0.000 0.828 287 S HN 0.101 nan 8.310 nan 0.000 0.497 288 S N 1.841 117.553 115.700 0.019 0.000 2.554 288 S HA 0.212 4.682 4.470 -0.000 0.000 0.226 288 S C 0.345 174.958 174.600 0.022 0.000 0.980 288 S CA -0.602 57.608 58.200 0.018 0.000 0.939 288 S CB -0.372 62.834 63.200 0.011 0.000 0.832 288 S HN 0.859 nan 8.310 nan 0.000 0.486 289 N N 1.307 120.024 118.700 0.029 0.000 2.284 289 N HA 0.179 4.919 4.740 -0.000 0.000 0.300 289 N C 0.368 175.908 175.510 0.050 0.000 1.047 289 N CA -0.264 52.806 53.050 0.033 0.000 0.821 289 N CB 1.505 40.008 38.487 0.025 0.000 1.337 289 N HN -0.114 nan 8.380 nan 0.000 0.482 290 E N 2.537 122.769 120.200 0.052 0.000 2.017 290 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 290 E C 1.603 178.257 176.600 0.090 0.000 0.997 290 E CA 1.361 57.803 56.400 0.071 0.000 0.804 290 E CB -0.021 29.713 29.700 0.055 0.000 0.757 290 E HN 0.631 nan 8.360 nan 0.000 0.448 291 I N 1.807 122.421 120.570 0.074 0.000 2.315 291 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 291 I C 2.425 178.613 176.117 0.119 0.000 1.125 291 I CA 1.265 62.617 61.300 0.087 0.000 1.392 291 I CB -0.524 37.510 38.000 0.058 0.000 1.065 291 I HN 0.153 nan 8.210 nan 0.000 0.424 292 E N 0.510 120.769 120.200 0.099 0.000 2.152 292 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 292 E C 2.070 178.778 176.600 0.181 0.000 0.983 292 E CA 0.931 57.401 56.400 0.118 0.000 0.818 292 E CB 0.076 29.820 29.700 0.072 0.000 0.758 292 E HN 0.638 nan 8.360 nan 0.000 0.467 293 Q N 0.164 120.051 119.800 0.146 0.000 2.096 293 Q HA -0.072 4.268 4.340 -0.000 0.000 0.197 293 Q C 2.374 178.518 176.000 0.241 0.000 0.964 293 Q CA 0.961 56.837 55.803 0.121 0.000 0.838 293 Q CB -0.041 28.778 28.738 0.135 0.000 0.906 293 Q HN 0.353 nan 8.270 nan 0.000 0.444 294 I N 0.566 121.302 120.570 0.276 0.000 2.248 294 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 294 I C 2.218 178.481 176.117 0.243 0.000 1.107 294 I CA 1.377 62.840 61.300 0.272 0.000 1.373 294 I CB -0.267 37.827 38.000 0.155 0.000 1.055 294 I HN 0.170 nan 8.210 nan 0.000 0.418 295 F N 1.450 121.447 119.950 0.079 0.000 2.113 295 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 295 F C 2.246 178.060 175.800 0.024 0.000 1.103 295 F CA 1.517 59.539 58.000 0.037 0.000 1.248 295 F CB -0.254 38.761 39.000 0.025 0.000 0.999 295 F HN -0.148 nan 8.300 nan 0.000 0.475 296 L N -0.861 120.443 121.223 0.134 0.000 2.079 296 L HA -0.286 4.054 4.340 -0.000 0.000 0.210 296 L C 2.312 179.082 176.870 -0.166 0.000 1.081 296 L CA 1.525 56.336 54.840 -0.048 0.000 0.752 296 L CB -0.921 41.115 42.059 -0.039 0.000 0.896 296 L HN 0.217 nan 8.230 nan 0.000 0.433 297 Y N -0.434 119.837 120.300 -0.047 0.000 2.242 297 Y HA -0.203 4.347 4.550 -0.000 0.000 0.291 297 Y C 2.411 178.252 175.900 -0.099 0.000 1.137 297 Y CA 0.891 58.958 58.100 -0.056 0.000 1.181 297 Y CB -0.167 38.275 38.460 -0.031 0.000 0.989 297 Y HN 0.069 nan 8.280 nan 0.000 0.527 298 L N -0.545 120.675 121.223 -0.004 0.000 2.191 298 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 298 L C 2.088 178.892 176.870 -0.111 0.000 1.103 298 L CA 0.958 55.761 54.840 -0.061 0.000 0.769 298 L CB -0.508 41.436 42.059 -0.193 0.000 0.908 298 L HN 0.331 nan 8.230 nan 0.000 0.438 299 L N -0.488 120.563 121.223 -0.286 0.000 2.275 299 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 299 L C 1.922 178.685 176.870 -0.178 0.000 1.119 299 L CA 0.852 55.510 54.840 -0.304 0.000 0.790 299 L CB -0.019 41.806 42.059 -0.390 0.000 0.919 299 L HN 0.330 nan 8.230 nan 0.000 0.443 300 L N -0.721 120.439 121.223 -0.105 0.000 2.628 300 L HA 0.089 4.429 4.340 -0.000 0.000 0.229 300 L C 0.645 177.490 176.870 -0.042 0.000 1.137 300 L CA -0.108 54.691 54.840 -0.069 0.000 0.909 300 L CB -0.107 41.937 42.059 -0.025 0.000 1.137 300 L HN 0.337 nan 8.230 nan 0.000 0.470 301 N N 0.944 119.625 118.700 -0.030 0.000 2.776 301 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 301 N C -0.152 175.384 175.510 0.042 0.000 1.112 301 N CA 0.622 53.673 53.050 0.002 0.000 0.733 301 N CB -1.082 37.364 38.487 -0.068 0.000 1.097 301 N HN 0.270 nan 8.380 nan 0.000 0.558 302 D N 0.259 120.695 120.400 0.060 0.000 2.493 302 D HA 0.297 4.937 4.640 -0.000 0.000 0.235 302 D C 1.302 177.621 176.300 0.031 0.000 1.117 302 D CA -0.364 53.667 54.000 0.051 0.000 0.930 302 D CB 0.549 41.395 40.800 0.077 0.000 1.010 302 D HN 0.037 nan 8.370 nan 0.000 0.514 303 V N 2.900 122.828 119.914 0.025 0.000 2.295 303 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 303 V C 2.553 178.616 176.094 -0.052 0.000 1.049 303 V CA 1.105 63.401 62.300 -0.007 0.000 1.024 303 V CB -0.302 31.525 31.823 0.007 0.000 0.648 303 V HN 0.425 nan 8.190 nan 0.000 0.447 304 V N -0.219 119.664 119.914 -0.051 0.000 2.332 304 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 304 V C 2.562 178.579 176.094 -0.129 0.000 1.055 304 V CA 2.333 64.587 62.300 -0.077 0.000 1.038 304 V CB -0.796 30.992 31.823 -0.058 0.000 0.651 304 V HN 0.440 nan 8.190 nan 0.000 0.450 305 R N -0.564 119.833 120.500 -0.172 0.000 2.115 305 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 305 R C 2.345 178.394 176.300 -0.419 0.000 1.100 305 R CA 1.226 57.123 56.100 -0.338 0.000 0.980 305 R CB -0.328 29.686 30.300 -0.477 0.000 0.875 305 R HN 0.548 nan 8.270 nan 0.000 0.445 306 A N -0.274 122.393 122.820 -0.255 0.000 1.873 306 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 306 A C 2.151 179.665 177.584 -0.117 0.000 1.186 306 A CA 1.670 53.625 52.037 -0.136 0.000 0.616 306 A CB -0.649 18.336 19.000 -0.026 0.000 0.823 306 A HN 0.291 nan 8.150 nan 0.000 0.442 307 S N -0.589 115.041 115.700 -0.117 0.000 2.359 307 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 307 S C 2.076 176.612 174.600 -0.106 0.000 1.035 307 S CA 1.897 60.032 58.200 -0.108 0.000 1.018 307 S CB -0.265 62.870 63.200 -0.109 0.000 0.876 307 S HN 0.605 nan 8.310 nan 0.000 0.448 308 K N 0.293 120.617 120.400 -0.126 0.000 2.002 308 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 308 K C 2.085 178.621 176.600 -0.106 0.000 1.048 308 K CA 1.314 57.532 56.287 -0.115 0.000 0.930 308 K CB -0.453 31.967 32.500 -0.134 0.000 0.714 308 K HN 0.234 nan 8.250 nan 0.000 0.438 309 L N 1.397 122.536 121.223 -0.141 0.000 2.042 309 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 309 L C 2.183 179.030 176.870 -0.038 0.000 1.076 309 L CA 1.978 56.766 54.840 -0.085 0.000 0.749 309 L CB -0.893 41.120 42.059 -0.077 0.000 0.893 309 L HN 0.166 nan 8.230 nan 0.000 0.432 310 A N -0.171 122.625 122.820 -0.040 0.000 1.883 310 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 310 A C 2.213 179.779 177.584 -0.030 0.000 1.186 310 A CA 2.072 54.096 52.037 -0.021 0.000 0.624 310 A CB -0.831 18.150 19.000 -0.033 0.000 0.822 310 A HN 0.449 nan 8.150 nan 0.000 0.444 311 I N 0.278 120.819 120.570 -0.050 0.000 2.151 311 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 311 I C 2.359 178.454 176.117 -0.036 0.000 1.080 311 I CA 1.956 63.226 61.300 -0.051 0.000 1.339 311 I CB -1.605 36.359 38.000 -0.060 0.000 1.039 311 I HN 0.502 nan 8.210 nan 0.000 0.409 312 E N 0.476 120.656 120.200 -0.033 0.000 2.204 312 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 312 E C 1.736 178.331 176.600 -0.008 0.000 0.989 312 E CA 1.394 57.781 56.400 -0.022 0.000 0.824 312 E CB -0.086 29.600 29.700 -0.023 0.000 0.756 312 E HN 0.510 nan 8.360 nan 0.000 0.477 313 S N 0.426 116.125 115.700 -0.002 0.000 2.660 313 S HA 0.175 4.645 4.470 -0.000 0.000 0.227 313 S C 0.820 175.427 174.600 0.012 0.000 0.948 313 S CA 0.061 58.268 58.200 0.011 0.000 0.948 313 S CB 0.368 63.583 63.200 0.024 0.000 0.779 313 S HN 0.105 nan 8.310 nan 0.000 0.487 314 K N 1.301 121.702 120.400 0.003 0.000 3.547 314 K HA -0.172 4.148 4.320 -0.000 0.000 0.309 314 K C -0.911 175.699 176.600 0.018 0.000 1.324 314 K CA 1.075 57.365 56.287 0.005 0.000 0.988 314 K CB -2.513 29.994 32.500 0.012 0.000 1.261 314 K HN 0.500 nan 8.250 nan 0.000 0.444 315 N N 0.523 119.235 118.700 0.021 0.000 3.245 315 N HA 0.148 4.888 4.740 -0.000 0.000 0.296 315 N C 1.122 176.642 175.510 0.018 0.000 1.254 315 N CA 0.728 53.804 53.050 0.043 0.000 1.190 315 N CB 0.543 39.057 38.487 0.045 0.000 1.460 315 N HN 0.455 nan 8.380 nan 0.000 0.538 316 G N 0.219 109.009 108.800 -0.017 0.000 2.402 316 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 316 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 316 G C 1.229 176.057 174.900 -0.120 0.000 1.162 316 G CA 0.782 45.820 45.100 -0.103 0.000 0.777 316 G HN 0.486 nan 8.290 nan 0.000 0.539 317 H N -0.198 118.871 119.070 -0.003 0.000 2.293 317 H HA 0.036 4.592 4.556 -0.000 0.000 0.300 317 H C 2.473 177.782 175.328 -0.031 0.000 1.082 317 H CA 1.321 57.368 56.048 -0.001 0.000 1.308 317 H CB -0.309 29.480 29.762 0.044 0.000 1.375 317 H HN 0.207 nan 8.280 nan 0.000 0.495 318 L N -0.222 121.075 121.223 0.124 0.000 2.021 318 L HA -0.306 4.034 4.340 -0.000 0.000 0.215 318 L C 2.573 179.403 176.870 -0.067 0.000 1.074 318 L CA 1.628 56.481 54.840 0.022 0.000 0.760 318 L CB -0.405 41.683 42.059 0.048 0.000 0.889 318 L HN 0.311 nan 8.230 nan 0.000 0.433 319 S N -1.032 114.631 115.700 -0.062 0.000 2.374 319 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 319 S C 1.845 176.343 174.600 -0.171 0.000 1.037 319 S CA 1.783 59.920 58.200 -0.106 0.000 1.024 319 S CB -0.315 62.830 63.200 -0.092 0.000 0.861 319 S HN 0.350 nan 8.310 nan 0.000 0.456 320 V N 2.366 122.173 119.914 -0.180 0.000 2.261 320 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 320 V C 2.435 178.221 176.094 -0.513 0.000 1.047 320 V CA 1.974 64.106 62.300 -0.281 0.000 1.015 320 V CB -0.858 30.848 31.823 -0.195 0.000 0.642 320 V HN 0.498 nan 8.190 nan 0.000 0.446 321 L N -0.392 120.591 121.223 -0.400 0.000 2.081 321 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 321 L C 2.523 179.135 176.870 -0.429 0.000 1.080 321 L CA 1.396 55.962 54.840 -0.458 0.000 0.754 321 L CB -0.719 41.183 42.059 -0.261 0.000 0.893 321 L HN 0.279 nan 8.230 nan 0.000 0.433 322 I N 0.406 120.790 120.570 -0.310 0.000 2.264 322 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 322 I C 2.826 178.812 176.117 -0.218 0.000 1.111 322 I CA 1.971 63.133 61.300 -0.230 0.000 1.382 322 I CB -1.097 36.804 38.000 -0.166 0.000 1.060 322 I HN 0.421 nan 8.210 nan 0.000 0.418 323 S N 0.154 115.677 115.700 -0.296 0.000 2.440 323 S HA -0.212 4.258 4.470 -0.000 0.000 0.238 323 S C 1.985 176.540 174.600 -0.075 0.000 1.010 323 S CA 0.989 59.066 58.200 -0.205 0.000 0.972 323 S CB -1.006 62.045 63.200 -0.248 0.000 0.774 323 S HN 0.551 nan 8.310 nan 0.000 0.501 324 Y N 1.290 121.548 120.300 -0.072 0.000 2.395 324 Y HA 0.265 4.815 4.550 -0.000 0.000 0.293 324 Y C 0.949 176.813 175.900 -0.061 0.000 1.123 324 Y CA -0.449 57.613 58.100 -0.063 0.000 1.227 324 Y CB -0.193 38.220 38.460 -0.078 0.000 1.012 324 Y HN 0.182 nan 8.280 nan 0.000 0.552 325 L N 1.310 122.555 121.223 0.036 0.000 2.742 325 L HA -0.034 4.306 4.340 -0.000 0.000 0.275 325 L C 1.061 178.013 176.870 0.137 0.000 1.141 325 L CA 1.115 55.931 54.840 -0.041 0.000 0.987 325 L CB -0.387 41.486 42.059 -0.309 0.000 1.319 325 L HN 0.550 nan 8.230 nan 0.000 0.478 326 G N 1.581 110.499 108.800 0.196 0.000 2.624 326 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.190 326 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.190 326 G C 0.263 175.225 174.900 0.104 0.000 1.008 326 G CA -0.431 44.780 45.100 0.185 0.000 0.731 326 G HN 0.456 nan 8.290 nan 0.000 0.478 327 S N 1.349 117.102 115.700 0.088 0.000 2.464 327 S HA 0.301 4.771 4.470 -0.000 0.000 0.313 327 S C 0.741 175.356 174.600 0.025 0.000 1.078 327 S CA -0.366 57.862 58.200 0.047 0.000 1.096 327 S CB 0.811 64.040 63.200 0.049 0.000 1.032 327 S HN 0.436 nan 8.310 nan 0.000 0.498 328 N N 2.903 121.615 118.700 0.020 0.000 2.726 328 N HA -0.128 4.612 4.740 -0.000 0.000 0.203 328 N C -0.007 175.496 175.510 -0.012 0.000 1.517 328 N CA -0.056 53.005 53.050 0.017 0.000 0.921 328 N CB 0.025 38.524 38.487 0.020 0.000 1.166 328 N HN 0.592 nan 8.380 nan 0.000 0.464 329 D N 1.685 122.059 120.400 -0.043 0.000 2.419 329 D HA -0.058 4.582 4.640 -0.000 0.000 0.281 329 D C -1.095 175.160 176.300 -0.075 0.000 1.398 329 D CA -1.255 52.697 54.000 -0.080 0.000 1.047 329 D CB 0.937 41.644 40.800 -0.154 0.000 1.115 329 D HN 0.360 nan 8.370 nan 0.000 0.540 330 P HA -0.217 nan 4.420 nan 0.000 0.217 330 P C 1.216 178.486 177.300 -0.050 0.000 1.148 330 P CA 1.049 64.128 63.100 -0.035 0.000 0.834 330 P CB 0.288 31.972 31.700 -0.025 0.000 0.783 331 R N -0.589 119.867 120.500 -0.073 0.000 2.070 331 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 331 R C 2.579 178.824 176.300 -0.091 0.000 1.138 331 R CA 1.234 57.286 56.100 -0.079 0.000 0.936 331 R CB -0.858 29.384 30.300 -0.098 0.000 0.839 331 R HN 0.158 nan 8.270 nan 0.000 0.429 332 I N 0.989 121.474 120.570 -0.143 0.000 2.264 332 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 332 I C 2.438 178.513 176.117 -0.070 0.000 1.111 332 I CA 1.397 62.605 61.300 -0.153 0.000 1.382 332 I CB -0.817 37.006 38.000 -0.294 0.000 1.060 332 I HN 0.214 nan 8.210 nan 0.000 0.418 333 R N 0.716 121.185 120.500 -0.053 0.000 2.080 333 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 333 R C 1.907 178.202 176.300 -0.007 0.000 1.137 333 R CA 1.984 58.074 56.100 -0.016 0.000 0.943 333 R CB -0.095 30.203 30.300 -0.002 0.000 0.846 333 R HN 0.359 nan 8.270 nan 0.000 0.431 334 D N 0.056 120.446 120.400 -0.016 0.000 2.183 334 D HA -0.128 4.512 4.640 -0.000 0.000 0.203 334 D C 1.803 178.090 176.300 -0.022 0.000 0.969 334 D CA 0.619 54.611 54.000 -0.014 0.000 0.842 334 D CB -0.043 40.746 40.800 -0.018 0.000 0.957 334 D HN 0.101 nan 8.370 nan 0.000 0.484 335 L N 1.178 122.383 121.223 -0.029 0.000 2.046 335 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 335 L C 2.426 179.283 176.870 -0.022 0.000 1.077 335 L CA 1.172 55.992 54.840 -0.033 0.000 0.747 335 L CB -1.390 40.650 42.059 -0.031 0.000 0.896 335 L HN -0.062 nan 8.230 nan 0.000 0.432 336 A N -0.741 122.089 122.820 0.017 0.000 1.902 336 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 336 A C 2.287 179.885 177.584 0.023 0.000 1.181 336 A CA 1.752 53.842 52.037 0.088 0.000 0.623 336 A CB -0.487 18.568 19.000 0.093 0.000 0.818 336 A HN 0.414 nan 8.150 nan 0.000 0.443 337 E N -0.363 119.841 120.200 0.007 0.000 2.077 337 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 337 E C 1.775 178.351 176.600 -0.039 0.000 0.989 337 E CA 1.215 57.618 56.400 0.005 0.000 0.800 337 E CB -0.375 29.338 29.700 0.021 0.000 0.746 337 E HN 0.401 nan 8.360 nan 0.000 0.452 338 L N 0.755 121.940 121.223 -0.063 0.000 2.012 338 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 338 L C 2.336 179.084 176.870 -0.204 0.000 1.073 338 L CA 2.122 56.903 54.840 -0.098 0.000 0.748 338 L CB -0.950 41.056 42.059 -0.090 0.000 0.891 338 L HN 0.211 nan 8.230 nan 0.000 0.431 339 Q N -0.508 119.101 119.800 -0.317 0.000 2.124 339 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 339 Q C 2.206 177.714 176.000 -0.820 0.000 0.977 339 Q CA 2.016 57.400 55.803 -0.698 0.000 0.850 339 Q CB -0.545 27.690 28.738 -0.839 0.000 0.901 339 Q HN 0.611 nan 8.270 nan 0.000 0.429 340 L N -0.289 120.684 121.223 -0.417 0.000 2.046 340 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 340 L C 2.496 179.454 176.870 0.147 0.000 1.077 340 L CA 1.478 56.255 54.840 -0.105 0.000 0.747 340 L CB -0.203 41.840 42.059 -0.027 0.000 0.896 340 L HN 0.341 nan 8.230 nan 0.000 0.432 341 Q N -0.420 119.409 119.800 0.048 0.000 1.965 341 Q HA -0.227 4.113 4.340 -0.000 0.000 0.200 341 Q C 2.188 178.230 176.000 0.069 0.000 0.981 341 Q CA 1.605 57.460 55.803 0.088 0.000 0.834 341 Q CB -0.059 28.697 28.738 0.031 0.000 0.900 341 Q HN 0.360 nan 8.270 nan 0.000 0.426 342 K N -0.212 120.162 120.400 -0.043 0.000 2.107 342 K HA -0.231 4.089 4.320 -0.000 0.000 0.211 342 K C 1.846 178.503 176.600 0.096 0.000 1.049 342 K CA 1.542 57.806 56.287 -0.038 0.000 0.927 342 K CB -0.247 32.157 32.500 -0.161 0.000 0.714 342 K HN 0.310 nan 8.250 nan 0.000 0.452 343 W N 1.361 122.675 121.300 0.024 0.000 2.352 343 W HA -0.092 4.568 4.660 -0.000 0.000 0.322 343 W C 2.233 178.821 176.519 0.116 0.000 1.208 343 W CA 1.470 58.850 57.345 0.058 0.000 1.286 343 W CB -1.333 28.156 29.460 0.049 0.000 1.167 343 W HN 0.077 nan 8.180 nan 0.000 0.469 344 S N -0.282 115.689 115.700 0.451 0.000 3.048 344 S HA 0.069 4.539 4.470 -0.000 0.000 0.254 344 S C 0.223 174.879 174.600 0.094 0.000 1.084 344 S CA 0.489 58.805 58.200 0.192 0.000 1.195 344 S CB -0.793 62.419 63.200 0.021 0.000 0.870 344 S HN 0.066 nan 8.310 nan 0.000 0.483 345 T N 0.034 114.656 114.554 0.113 0.000 3.748 345 T HA 0.611 4.961 4.350 -0.000 0.000 0.281 345 T C 0.815 175.554 174.700 0.065 0.000 0.977 345 T CA -0.184 61.954 62.100 0.064 0.000 1.056 345 T CB 0.482 69.382 68.868 0.054 0.000 1.138 345 T HN 0.685 nan 8.240 nan 0.000 0.498 346 G N 1.166 110.007 108.800 0.069 0.000 1.937 346 G HA2 0.160 4.120 3.960 -0.000 0.000 0.075 346 G HA3 0.160 4.120 3.960 -0.000 0.000 0.075 346 G C 0.704 175.649 174.900 0.074 0.000 2.264 346 G CA 0.030 45.166 45.100 0.060 0.000 1.288 346 G HN 0.992 nan 8.290 nan 0.000 0.396 347 G N 0.951 109.828 108.800 0.128 0.000 2.113 347 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.253 347 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.253 347 G C 2.028 176.937 174.900 0.015 0.000 0.781 347 G CA 1.730 46.907 45.100 0.129 0.000 1.077 347 G HN 2.357 nan 8.290 nan 0.000 0.396 348 C N -0.814 118.493 119.300 0.011 0.000 2.410 348 C HA 0.051 4.511 4.460 -0.000 0.000 0.282 348 C C 1.104 176.066 174.990 -0.046 0.000 1.173 348 C CA 0.711 59.720 59.018 -0.014 0.000 1.866 348 C CB -1.082 26.652 27.740 -0.009 0.000 2.167 348 C HN 1.140 nan 8.230 nan 0.000 0.494 349 S N -0.415 115.231 115.700 -0.091 0.000 2.596 349 S HA 0.601 5.071 4.470 -0.000 0.000 0.305 349 S C -1.314 173.133 174.600 -0.254 0.000 1.086 349 S CA -0.340 57.781 58.200 -0.132 0.000 0.909 349 S CB 1.088 64.232 63.200 -0.093 0.000 1.106 349 S HN 0.433 nan 8.310 nan 0.000 0.450 350 I N 2.889 123.266 120.570 -0.321 0.000 2.569 350 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 350 I C -0.585 175.332 176.117 -0.333 0.000 1.088 350 I CA -0.698 60.278 61.300 -0.540 0.000 1.047 350 I CB 1.836 39.136 38.000 -1.166 0.000 1.237 350 I HN 0.818 nan 8.210 nan 0.000 0.421 351 D N 6.320 126.557 120.400 -0.272 0.000 2.583 351 D HA -0.087 4.553 4.640 -0.000 0.000 0.232 351 D C 0.979 177.201 176.300 -0.131 0.000 1.128 351 D CA 0.510 54.418 54.000 -0.153 0.000 0.859 351 D CB 1.118 41.856 40.800 -0.102 0.000 1.169 351 D HN 0.528 nan 8.370 nan 0.000 0.481 352 K N 2.928 123.281 120.400 -0.079 0.000 2.218 352 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 352 K C 1.370 177.920 176.600 -0.084 0.000 1.046 352 K CA 1.073 57.329 56.287 -0.053 0.000 0.933 352 K CB 0.151 32.628 32.500 -0.038 0.000 0.728 352 K HN 0.427 nan 8.250 nan 0.000 0.454 353 N N 0.288 118.937 118.700 -0.085 0.000 2.415 353 N HA 0.071 4.811 4.740 -0.000 0.000 0.174 353 N C 1.745 177.247 175.510 -0.014 0.000 1.048 353 N CA 0.490 53.480 53.050 -0.099 0.000 0.895 353 N CB 0.237 38.689 38.487 -0.057 0.000 1.036 353 N HN 0.109 nan 8.380 nan 0.000 0.449 354 I N 1.404 121.976 120.570 0.003 0.000 2.286 354 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 354 I C 2.366 178.586 176.117 0.172 0.000 1.115 354 I CA 1.058 62.421 61.300 0.106 0.000 1.392 354 I CB -0.107 37.931 38.000 0.063 0.000 1.065 354 I HN 0.138 nan 8.210 nan 0.000 0.418 355 S N 0.451 116.126 115.700 -0.042 0.000 2.402 355 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 355 S C 1.949 176.522 174.600 -0.044 0.000 1.021 355 S CA 0.715 58.831 58.200 -0.139 0.000 0.974 355 S CB -0.303 62.634 63.200 -0.437 0.000 0.800 355 S HN 0.371 nan 8.310 nan 0.000 0.484 356 K N 0.901 121.286 120.400 -0.024 0.000 2.097 356 K HA 0.117 4.437 4.320 -0.000 0.000 0.205 356 K C 2.016 178.729 176.600 0.189 0.000 1.050 356 K CA 1.555 57.848 56.287 0.009 0.000 0.938 356 K CB -0.382 31.923 32.500 -0.324 0.000 0.718 356 K HN 0.465 nan 8.250 nan 0.000 0.442 357 I N -0.332 120.362 120.570 0.208 0.000 2.353 357 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 357 I C 1.826 177.966 176.117 0.038 0.000 1.119 357 I CA 1.184 62.573 61.300 0.148 0.000 1.417 357 I CB -0.264 37.792 38.000 0.093 0.000 1.078 357 I HN 0.104 nan 8.210 nan 0.000 0.421 358 Y N 1.162 121.473 120.300 0.019 0.000 2.242 358 Y HA -0.227 4.323 4.550 -0.000 0.000 0.291 358 Y C 2.585 178.462 175.900 -0.038 0.000 1.137 358 Y CA 1.416 59.515 58.100 -0.001 0.000 1.181 358 Y CB -0.238 38.248 38.460 0.043 0.000 0.989 358 Y HN -0.027 nan 8.280 nan 0.000 0.527 359 K N 0.708 121.175 120.400 0.112 0.000 2.152 359 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 359 K C 1.745 178.352 176.600 0.012 0.000 1.048 359 K CA 1.318 57.634 56.287 0.048 0.000 0.933 359 K CB -0.612 31.912 32.500 0.040 0.000 0.721 359 K HN 0.320 nan 8.250 nan 0.000 0.447 360 L N -0.202 121.018 121.223 -0.007 0.000 2.109 360 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 360 L C 2.116 178.906 176.870 -0.133 0.000 1.086 360 L CA 0.839 55.624 54.840 -0.091 0.000 0.760 360 L CB -0.301 41.627 42.059 -0.218 0.000 0.910 360 L HN 0.156 nan 8.230 nan 0.000 0.437 361 L N -0.365 120.785 121.223 -0.123 0.000 2.275 361 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 361 L C 2.770 179.626 176.870 -0.023 0.000 1.119 361 L CA 1.151 55.931 54.840 -0.098 0.000 0.790 361 L CB -0.465 41.529 42.059 -0.108 0.000 0.919 361 L HN 0.363 nan 8.230 nan 0.000 0.443 362 S N -0.415 115.290 115.700 0.008 0.000 2.469 362 S HA -0.063 4.407 4.470 -0.000 0.000 0.238 362 S C 1.755 176.378 174.600 0.038 0.000 0.998 362 S CA 0.860 59.078 58.200 0.029 0.000 0.957 362 S CB -0.159 63.068 63.200 0.044 0.000 0.764 362 S HN 0.574 nan 8.310 nan 0.000 0.514 363 G N -0.101 108.725 108.800 0.044 0.000 2.199 363 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 363 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 363 G C 0.218 175.169 174.900 0.084 0.000 0.982 363 G CA 0.172 45.319 45.100 0.079 0.000 0.632 363 G HN 1.096 nan 8.290 nan 0.000 0.529 364 S N 1.174 116.910 115.700 0.059 0.000 2.293 364 S HA 0.482 4.952 4.470 -0.000 0.000 0.154 364 S C -1.377 173.226 174.600 0.005 0.000 1.602 364 S CA -0.217 58.023 58.200 0.067 0.000 1.260 364 S CB 2.383 65.636 63.200 0.087 0.000 1.270 364 S HN 0.246 nan 8.310 nan 0.000 0.416 365 P HA 0.029 nan 4.420 nan 0.000 0.230 365 P C 0.273 177.246 177.300 -0.546 0.000 1.158 365 P CA 0.937 63.802 63.100 -0.393 0.000 0.769 365 P CB -0.077 31.272 31.700 -0.585 0.000 0.807 366 F N 0.170 120.236 119.950 0.193 0.000 2.581 366 F HA 0.188 4.715 4.527 -0.000 0.000 0.278 366 F C 1.541 177.382 175.800 0.067 0.000 1.000 366 F CA -0.308 57.788 58.000 0.161 0.000 1.230 366 F CB -0.845 38.288 39.000 0.222 0.000 1.008 366 F HN -0.242 nan 8.300 nan 0.000 0.695 367 E N 1.856 122.201 120.200 0.242 0.000 2.608 367 E HA 0.272 4.622 4.350 -0.000 0.000 0.213 367 E C 0.714 177.374 176.600 0.100 0.000 1.356 367 E CA 0.404 56.886 56.400 0.136 0.000 1.201 367 E CB -0.832 28.947 29.700 0.132 0.000 1.210 367 E HN 0.486 nan 8.360 nan 0.000 0.456 368 G N 0.875 109.736 108.800 0.103 0.000 2.650 368 G HA2 0.380 4.340 3.960 -0.000 0.000 0.310 368 G HA3 0.380 4.340 3.960 -0.000 0.000 0.310 368 G C -1.181 173.781 174.900 0.103 0.000 1.270 368 G CA -1.052 44.105 45.100 0.095 0.000 0.810 368 G HN 0.203 nan 8.290 nan 0.000 0.493 369 L N -2.987 118.308 121.223 0.121 0.000 2.701 369 L HA 0.888 5.228 4.340 -0.000 0.000 0.237 369 L C -0.293 176.701 176.870 0.207 0.000 1.204 369 L CA -0.369 54.538 54.840 0.112 0.000 1.109 369 L CB -0.144 41.964 42.059 0.082 0.000 1.409 369 L HN 0.545 nan 8.230 nan 0.000 0.428 370 F N -0.917 119.066 119.950 0.055 0.000 3.141 370 F HA -0.055 4.472 4.527 -0.000 0.000 0.290 370 F C 0.802 176.639 175.800 0.063 0.000 1.085 370 F CA -0.450 57.587 58.000 0.061 0.000 1.190 370 F CB -0.399 38.649 39.000 0.080 0.000 2.271 370 F HN 0.385 nan 8.300 nan 0.000 0.405 371 S N 1.524 117.365 115.700 0.235 0.000 2.593 371 S HA 0.039 4.509 4.470 -0.000 0.000 0.303 371 S C 0.983 175.716 174.600 0.222 0.000 1.267 371 S CA 0.200 58.518 58.200 0.196 0.000 1.047 371 S CB 0.418 63.723 63.200 0.174 0.000 0.777 371 S HN 0.401 nan 8.310 nan 0.000 0.498 372 L N 4.574 125.932 121.223 0.226 0.000 2.653 372 L HA 0.175 4.515 4.340 -0.000 0.000 0.232 372 L C 2.103 179.333 176.870 0.601 0.000 1.169 372 L CA 0.086 55.111 54.840 0.309 0.000 0.951 372 L CB -0.279 41.871 42.059 0.151 0.000 1.181 372 L HN 0.715 nan 8.230 nan 0.000 0.460 373 K N 1.382 122.122 120.400 0.566 0.000 2.148 373 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 373 K C 1.919 178.757 176.600 0.396 0.000 1.050 373 K CA 1.442 58.060 56.287 0.551 0.000 0.942 373 K CB 0.200 32.847 32.500 0.244 0.000 0.724 373 K HN 0.511 nan 8.250 nan 0.000 0.446 374 E N 0.687 121.057 120.200 0.285 0.000 2.265 374 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 374 E C 1.486 178.234 176.600 0.247 0.000 0.996 374 E CA 0.739 57.266 56.400 0.212 0.000 0.832 374 E CB -0.299 29.492 29.700 0.151 0.000 0.756 374 E HN 0.339 nan 8.360 nan 0.000 0.491 375 L N 1.201 122.627 121.223 0.338 0.000 2.622 375 L HA -0.037 4.303 4.340 -0.000 0.000 0.233 375 L C 2.401 179.507 176.870 0.393 0.000 1.156 375 L CA 0.826 55.911 54.840 0.409 0.000 0.866 375 L CB -0.556 41.815 42.059 0.519 0.000 0.980 375 L HN 0.302 nan 8.230 nan 0.000 0.448 376 E N 1.003 121.399 120.200 0.327 0.000 2.209 376 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 376 E C 1.703 178.411 176.600 0.181 0.000 0.993 376 E CA 1.432 57.986 56.400 0.257 0.000 0.819 376 E CB 0.208 30.099 29.700 0.319 0.000 0.745 376 E HN 0.485 nan 8.360 nan 0.000 0.477 377 S N -0.956 114.833 115.700 0.149 0.000 2.582 377 S HA 0.173 4.643 4.470 -0.000 0.000 0.234 377 S C 0.821 175.421 174.600 0.000 0.000 0.961 377 S CA -0.496 57.749 58.200 0.075 0.000 0.953 377 S CB 0.509 63.746 63.200 0.062 0.000 0.800 377 S HN 0.158 nan 8.310 nan 0.000 0.471 378 E N 0.277 120.458 120.200 -0.032 0.000 2.441 378 E HA 0.363 4.713 4.350 -0.000 0.000 0.212 378 E C -0.620 175.574 176.600 -0.676 0.000 0.840 378 E CA 0.326 56.507 56.400 -0.365 0.000 1.143 378 E CB 0.357 29.775 29.700 -0.470 0.000 1.153 378 E HN 0.540 nan 8.360 nan 0.000 0.539 379 F N 0.374 120.352 119.950 0.047 0.000 2.598 379 F HA 0.376 4.903 4.527 -0.000 0.000 0.327 379 F C 0.758 176.545 175.800 -0.021 0.000 1.057 379 F CA -1.277 56.731 58.000 0.012 0.000 0.957 379 F CB 1.173 40.189 39.000 0.027 0.000 1.278 379 F HN -0.347 nan 8.300 nan 0.000 0.484 380 S N 2.328 118.098 115.700 0.117 0.000 2.558 380 S HA -0.057 4.413 4.470 -0.000 0.000 0.288 380 S C 1.224 175.767 174.600 -0.095 0.000 1.318 380 S CA -0.467 57.704 58.200 -0.048 0.000 1.056 380 S CB 0.231 63.322 63.200 -0.183 0.000 0.853 380 S HN 0.773 nan 8.310 nan 0.000 0.505 381 W N 4.924 126.203 121.300 -0.034 0.000 2.364 381 W HA -0.118 4.542 4.660 -0.000 0.000 0.281 381 W C 1.167 177.604 176.519 -0.137 0.000 1.219 381 W CA 0.413 57.688 57.345 -0.117 0.000 1.220 381 W CB -0.922 28.489 29.460 -0.081 0.000 1.127 381 W HN 0.644 nan 8.180 nan 0.000 0.556 382 L N 1.843 122.432 121.223 -1.056 0.000 2.109 382 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 382 L C 2.863 179.434 176.870 -0.499 0.000 1.086 382 L CA 2.183 56.407 54.840 -1.027 0.000 0.760 382 L CB -1.252 40.135 42.059 -1.119 0.000 0.910 382 L HN 0.212 nan 8.230 nan 0.000 0.437 383 C N -0.621 118.471 119.300 -0.348 0.000 2.413 383 C HA -0.168 4.292 4.460 -0.000 0.000 0.276 383 C C 2.676 177.536 174.990 -0.217 0.000 1.236 383 C CA 0.991 59.877 59.018 -0.221 0.000 1.735 383 C CB -1.030 26.670 27.740 -0.067 0.000 2.031 383 C HN 0.570 nan 8.230 nan 0.000 0.474 384 L N 0.514 121.627 121.223 -0.184 0.000 2.141 384 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 384 L C 2.560 179.228 176.870 -0.337 0.000 1.094 384 L CA 1.128 55.891 54.840 -0.127 0.000 0.763 384 L CB -0.931 40.962 42.059 -0.276 0.000 0.908 384 L HN 0.421 nan 8.230 nan 0.000 0.437 385 L N 0.579 121.424 121.223 -0.630 0.000 2.083 385 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 385 L C 2.129 178.642 176.870 -0.596 0.000 1.083 385 L CA 1.720 55.892 54.840 -1.114 0.000 0.752 385 L CB -0.837 40.809 42.059 -0.689 0.000 0.899 385 L HN 0.203 nan 8.230 nan 0.000 0.433 386 N N -0.131 118.327 118.700 -0.404 0.000 2.043 386 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 386 N C 1.836 177.163 175.510 -0.305 0.000 1.037 386 N CA 2.177 55.036 53.050 -0.319 0.000 0.851 386 N CB -0.411 37.911 38.487 -0.275 0.000 1.027 386 N HN 0.475 nan 8.380 nan 0.000 0.422 387 L N -0.223 120.878 121.223 -0.204 0.000 1.997 387 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 387 L C 2.219 179.048 176.870 -0.069 0.000 1.074 387 L CA 1.898 56.674 54.840 -0.108 0.000 0.763 387 L CB -1.156 40.989 42.059 0.142 0.000 0.890 387 L HN 0.282 nan 8.230 nan 0.000 0.434 388 T N 0.168 114.770 114.554 0.080 0.000 2.684 388 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 388 T C 1.952 176.635 174.700 -0.028 0.000 1.036 388 T CA 1.236 63.410 62.100 0.123 0.000 1.148 388 T CB -0.280 68.734 68.868 0.243 0.000 0.863 388 T HN 0.206 nan 8.240 nan 0.000 0.436 389 L N 0.231 121.373 121.223 -0.136 0.000 2.191 389 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 389 L C 2.564 179.408 176.870 -0.043 0.000 1.103 389 L CA 0.769 55.553 54.840 -0.094 0.000 0.769 389 L CB -0.527 41.414 42.059 -0.197 0.000 0.908 389 L HN 0.426 nan 8.230 nan 0.000 0.438 390 C N -2.058 117.069 119.300 -0.289 0.000 2.504 390 C HA -0.015 4.445 4.460 -0.000 0.000 0.279 390 C C 2.291 177.040 174.990 -0.402 0.000 1.358 390 C CA 0.058 58.794 59.018 -0.470 0.000 1.747 390 C CB -0.445 26.692 27.740 -1.005 0.000 2.037 390 C HN 0.482 nan 8.230 nan 0.000 0.503 391 Y N -0.444 119.878 120.300 0.036 0.000 2.678 391 Y HA 0.230 4.780 4.550 -0.000 0.000 0.274 391 Y C 2.665 178.586 175.900 0.035 0.000 1.114 391 Y CA 0.442 58.555 58.100 0.022 0.000 1.274 391 Y CB -1.124 37.331 38.460 -0.009 0.000 1.438 391 Y HN 0.170 nan 8.280 nan 0.000 0.493 392 G N 0.655 109.553 108.800 0.164 0.000 4.735 392 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.223 392 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.223 392 G C 0.674 175.636 174.900 0.102 0.000 1.024 392 G CA 2.062 47.230 45.100 0.113 0.000 0.595 392 G HN 0.533 nan 8.290 nan 0.000 0.832 393 Q N -2.211 117.663 119.800 0.122 0.000 2.187 393 Q HA -0.099 4.241 4.340 -0.000 0.000 0.275 393 Q C 1.280 177.385 176.000 0.176 0.000 1.088 393 Q CA 0.318 56.215 55.803 0.157 0.000 0.665 393 Q CB -1.699 27.183 28.738 0.239 0.000 1.028 393 Q HN 0.406 nan 8.270 nan 0.000 0.397 394 I N -0.014 120.608 120.570 0.087 0.000 2.143 394 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 394 I C 1.788 177.920 176.117 0.025 0.000 1.068 394 I CA 1.996 63.305 61.300 0.015 0.000 1.326 394 I CB -0.260 37.659 38.000 -0.134 0.000 1.028 394 I HN 0.496 nan 8.210 nan 0.000 0.412 395 D N 0.529 120.939 120.400 0.017 0.000 2.097 395 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 395 D C 2.076 178.387 176.300 0.017 0.000 0.984 395 D CA 1.327 55.328 54.000 0.002 0.000 0.826 395 D CB -0.267 40.526 40.800 -0.011 0.000 0.973 395 D HN 0.373 nan 8.370 nan 0.000 0.460 396 E N -0.666 119.555 120.200 0.035 0.000 2.268 396 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 396 E C 0.083 176.583 176.600 -0.166 0.000 0.995 396 E CA 0.653 57.016 56.400 -0.062 0.000 0.836 396 E CB 0.007 29.656 29.700 -0.085 0.000 0.763 396 E HN 0.375 nan 8.360 nan 0.000 0.491 397 Y N -0.797 119.505 120.300 0.004 0.000 2.654 397 Y HA 0.391 4.941 4.550 -0.000 0.000 0.327 397 Y C 0.553 176.458 175.900 0.008 0.000 1.122 397 Y CA -1.158 56.948 58.100 0.011 0.000 1.227 397 Y CB 1.280 39.757 38.460 0.028 0.000 1.370 397 Y HN -0.241 nan 8.280 nan 0.000 0.528 398 S N 0.331 116.166 115.700 0.224 0.000 2.638 398 S HA 0.273 4.743 4.470 -0.000 0.000 0.298 398 S C 0.532 175.216 174.600 0.139 0.000 1.111 398 S CA -0.760 57.514 58.200 0.123 0.000 1.027 398 S CB 1.204 64.444 63.200 0.066 0.000 1.064 398 S HN 0.617 nan 8.310 nan 0.000 0.525 399 L N 1.103 122.411 121.223 0.142 0.000 2.081 399 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 399 L C 2.245 179.200 176.870 0.142 0.000 1.080 399 L CA 2.050 57.013 54.840 0.204 0.000 0.754 399 L CB -1.653 40.589 42.059 0.305 0.000 0.893 399 L HN 0.823 nan 8.230 nan 0.000 0.433 400 E N -0.227 119.949 120.200 -0.039 0.000 1.998 400 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 400 E C 2.190 178.747 176.600 -0.070 0.000 1.003 400 E CA 1.801 58.046 56.400 -0.258 0.000 0.829 400 E CB -0.466 29.022 29.700 -0.354 0.000 0.777 400 E HN 0.533 nan 8.360 nan 0.000 0.460 401 S N 0.639 116.347 115.700 0.014 0.000 2.420 401 S HA -0.191 4.279 4.470 -0.000 0.000 0.237 401 S C 1.958 176.581 174.600 0.038 0.000 1.023 401 S CA 1.076 59.332 58.200 0.093 0.000 0.991 401 S CB -0.350 62.986 63.200 0.227 0.000 0.792 401 S HN 0.158 nan 8.310 nan 0.000 0.488 402 L N 1.584 122.806 121.223 -0.002 0.000 2.044 402 L HA 0.101 4.441 4.340 -0.000 0.000 0.205 402 L C 2.513 179.342 176.870 -0.068 0.000 1.075 402 L CA 1.320 56.050 54.840 -0.182 0.000 0.747 402 L CB -0.630 41.391 42.059 -0.065 0.000 0.903 402 L HN 0.197 nan 8.230 nan 0.000 0.435 403 V N -0.450 119.475 119.914 0.019 0.000 2.407 403 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 403 V C 2.594 178.725 176.094 0.061 0.000 1.055 403 V CA 1.775 64.105 62.300 0.051 0.000 1.049 403 V CB -0.634 31.275 31.823 0.144 0.000 0.662 403 V HN 0.544 nan 8.190 nan 0.000 0.455 404 Q N 0.566 120.383 119.800 0.028 0.000 2.030 404 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 404 Q C 2.511 178.523 176.000 0.020 0.000 0.986 404 Q CA 2.371 58.188 55.803 0.023 0.000 0.843 404 Q CB -0.920 27.823 28.738 0.008 0.000 0.904 404 Q HN 0.593 nan 8.270 nan 0.000 0.420 405 S N -0.989 114.702 115.700 -0.014 0.000 2.381 405 S HA -0.323 4.147 4.470 -0.000 0.000 0.230 405 S C 1.959 176.583 174.600 0.040 0.000 1.052 405 S CA 2.004 60.186 58.200 -0.030 0.000 1.068 405 S CB -0.647 62.442 63.200 -0.185 0.000 0.918 405 S HN 0.747 nan 8.310 nan 0.000 0.448 406 H N 0.077 119.152 119.070 0.009 0.000 2.326 406 H HA 0.086 4.642 4.556 -0.000 0.000 0.301 406 H C 1.917 177.316 175.328 0.119 0.000 1.081 406 H CA 1.750 57.853 56.048 0.092 0.000 1.334 406 H CB -0.488 29.301 29.762 0.044 0.000 1.385 406 H HN 0.309 nan 8.280 nan 0.000 0.504 407 L N 0.973 122.248 121.223 0.087 0.000 2.079 407 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 407 L C 1.601 178.443 176.870 -0.047 0.000 1.081 407 L CA 1.714 56.567 54.840 0.022 0.000 0.752 407 L CB -0.854 41.224 42.059 0.032 0.000 0.896 407 L HN 0.432 nan 8.230 nan 0.000 0.433 408 D N -0.855 119.513 120.400 -0.053 0.000 2.351 408 D HA -0.161 4.479 4.640 -0.000 0.000 0.216 408 D C 1.923 178.127 176.300 -0.160 0.000 0.968 408 D CA 0.717 54.668 54.000 -0.082 0.000 0.899 408 D CB 0.268 41.038 40.800 -0.051 0.000 0.907 408 D HN 0.258 nan 8.370 nan 0.000 0.514 409 K N -0.874 119.369 120.400 -0.263 0.000 2.308 409 K HA 0.141 4.461 4.320 -0.000 0.000 0.197 409 K C -0.066 176.055 176.600 -0.797 0.000 1.049 409 K CA 0.334 56.279 56.287 -0.571 0.000 0.991 409 K CB 0.536 32.538 32.500 -0.830 0.000 0.836 409 K HN -0.034 nan 8.250 nan 0.000 0.500 410 F N -0.354 119.417 119.950 -0.299 0.000 2.556 410 F HA 0.442 4.969 4.527 -0.000 0.000 0.314 410 F C -0.079 175.599 175.800 -0.203 0.000 1.106 410 F CA -1.267 56.591 58.000 -0.237 0.000 0.911 410 F CB 1.927 40.768 39.000 -0.265 0.000 1.190 410 F HN -0.395 nan 8.300 nan 0.000 0.448 411 S N 2.798 118.500 115.700 0.003 0.000 2.586 411 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 411 S C -0.262 174.248 174.600 -0.150 0.000 1.281 411 S CA -0.664 57.473 58.200 -0.105 0.000 1.035 411 S CB 0.826 63.956 63.200 -0.116 0.000 0.962 411 S HN 0.405 nan 8.310 nan 0.000 0.512 412 L N 2.079 123.133 121.223 -0.281 0.000 2.332 412 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 412 L C -2.278 174.402 176.870 -0.317 0.000 1.016 412 L CA -2.549 52.037 54.840 -0.423 0.000 0.809 412 L CB 0.415 42.049 42.059 -0.708 0.000 1.280 412 L HN 0.354 nan 8.230 nan 0.000 0.447 413 P HA 0.036 nan 4.420 nan 0.000 0.264 413 P C 0.113 177.388 177.300 -0.043 0.000 1.229 413 P CA 0.164 63.212 63.100 -0.085 0.000 0.780 413 P CB 0.161 31.853 31.700 -0.013 0.000 0.808 414 Y N 1.903 122.168 120.300 -0.058 0.000 2.133 414 Y HA -0.318 4.232 4.550 -0.000 0.000 0.279 414 Y C 1.735 177.616 175.900 -0.031 0.000 1.209 414 Y CA 1.464 59.538 58.100 -0.043 0.000 1.152 414 Y CB -0.010 38.435 38.460 -0.026 0.000 0.961 414 Y HN 0.413 nan 8.280 nan 0.000 0.512 415 D N -0.259 120.239 120.400 0.165 0.000 2.349 415 D HA -0.074 4.566 4.640 -0.000 0.000 0.224 415 D C -0.068 176.276 176.300 0.073 0.000 1.029 415 D CA 0.455 54.515 54.000 0.099 0.000 0.879 415 D CB -0.167 40.679 40.800 0.077 0.000 0.906 415 D HN 0.310 nan 8.370 nan 0.000 0.528 416 D N 1.477 121.913 120.400 0.060 0.000 2.295 416 D HA 0.049 4.689 4.640 -0.000 0.000 0.248 416 D C -1.312 175.025 176.300 0.063 0.000 1.154 416 D CA -1.998 52.051 54.000 0.082 0.000 0.857 416 D CB 2.389 43.256 40.800 0.111 0.000 1.117 416 D HN -0.041 nan 8.370 nan 0.000 0.468 417 P HA -0.123 nan 4.420 nan 0.000 0.214 417 P C 1.726 179.031 177.300 0.009 0.000 1.162 417 P CA 0.799 63.893 63.100 -0.009 0.000 0.874 417 P CB 0.093 31.759 31.700 -0.058 0.000 0.784 418 I N -2.310 118.330 120.570 0.115 0.000 2.756 418 I HA -0.006 4.164 4.170 -0.000 0.000 0.262 418 I C 2.157 178.469 176.117 0.325 0.000 1.225 418 I CA 1.720 63.113 61.300 0.155 0.000 1.472 418 I CB -2.306 35.884 38.000 0.317 0.000 1.094 418 I HN -0.101 nan 8.210 nan 0.000 0.454 419 G N 1.624 110.610 108.800 0.310 0.000 2.408 419 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.213 419 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.213 419 G C 1.697 176.621 174.900 0.041 0.000 1.177 419 G CA 0.779 45.919 45.100 0.065 0.000 0.802 419 G HN 0.290 nan 8.290 nan 0.000 0.533 420 V N 1.121 121.049 119.914 0.022 0.000 2.392 420 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 420 V C 2.753 178.895 176.094 0.081 0.000 1.059 420 V CA 1.394 63.720 62.300 0.042 0.000 1.051 420 V CB -0.380 31.465 31.823 0.038 0.000 0.658 420 V HN 0.264 nan 8.190 nan 0.000 0.455 421 I N -0.832 119.753 120.570 0.025 0.000 2.163 421 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 421 I C 2.168 178.328 176.117 0.072 0.000 1.081 421 I CA 1.634 62.941 61.300 0.010 0.000 1.353 421 I CB -0.639 37.243 38.000 -0.196 0.000 1.054 421 I HN 0.162 nan 8.210 nan 0.000 0.407 422 F N 0.658 120.673 119.950 0.108 0.000 2.120 422 F HA -0.338 4.189 4.527 -0.000 0.000 0.300 422 F C 2.635 178.529 175.800 0.156 0.000 1.095 422 F CA 1.536 59.623 58.000 0.144 0.000 1.249 422 F CB -0.466 38.642 39.000 0.181 0.000 0.995 422 F HN 0.190 nan 8.300 nan 0.000 0.480 423 Q N 0.055 120.021 119.800 0.276 0.000 2.084 423 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 423 Q C 2.314 178.422 176.000 0.180 0.000 0.978 423 Q CA 1.399 57.303 55.803 0.170 0.000 0.844 423 Q CB -0.448 28.341 28.738 0.085 0.000 0.898 423 Q HN 0.496 nan 8.270 nan 0.000 0.426 424 L N -0.292 121.067 121.223 0.227 0.000 2.093 424 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 424 L C 2.482 179.560 176.870 0.346 0.000 1.085 424 L CA 1.082 56.083 54.840 0.269 0.000 0.755 424 L CB -0.431 41.809 42.059 0.303 0.000 0.904 424 L HN 0.245 nan 8.230 nan 0.000 0.435 425 Y N 0.721 121.161 120.300 0.234 0.000 2.163 425 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 425 Y C 2.424 178.369 175.900 0.075 0.000 1.136 425 Y CA 1.254 59.408 58.100 0.090 0.000 1.147 425 Y CB -0.358 37.996 38.460 -0.176 0.000 0.987 425 Y HN 0.083 nan 8.280 nan 0.000 0.509 426 A N 0.545 123.342 122.820 -0.038 0.000 1.929 426 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 426 A C 2.269 179.797 177.584 -0.093 0.000 1.176 426 A CA 1.291 53.246 52.037 -0.138 0.000 0.628 426 A CB -1.382 17.637 19.000 0.031 0.000 0.816 426 A HN 0.571 nan 8.150 nan 0.000 0.444 427 A N 0.533 123.347 122.820 -0.010 0.000 2.248 427 A HA -0.119 4.201 4.320 -0.000 0.000 0.210 427 A C 1.688 179.254 177.584 -0.029 0.000 1.174 427 A CA 1.172 53.206 52.037 -0.003 0.000 0.750 427 A CB -0.966 18.055 19.000 0.035 0.000 0.780 427 A HN 0.692 nan 8.150 nan 0.000 0.478 428 N N 0.824 119.485 118.700 -0.065 0.000 1.766 428 N HA -0.376 4.364 4.740 -0.000 0.000 0.130 428 N C 1.263 176.742 175.510 -0.052 0.000 0.518 428 N CA 2.858 55.869 53.050 -0.066 0.000 0.812 428 N CB -0.765 37.653 38.487 -0.114 0.000 0.765 428 N HN 0.738 nan 8.380 nan 0.000 1.327 429 E N 0.041 120.212 120.200 -0.048 0.000 2.077 429 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 429 E C 0.157 176.723 176.600 -0.057 0.000 0.989 429 E CA 1.321 57.693 56.400 -0.045 0.000 0.800 429 E CB -0.205 29.476 29.700 -0.032 0.000 0.746 429 E HN 0.626 nan 8.360 nan 0.000 0.452 430 N N 0.508 119.178 118.700 -0.050 0.000 2.757 430 N HA 0.111 4.851 4.740 -0.000 0.000 0.296 430 N C -0.088 175.386 175.510 -0.060 0.000 1.874 430 N CA 0.013 53.028 53.050 -0.058 0.000 0.885 430 N CB 1.190 39.660 38.487 -0.029 0.000 1.242 430 N HN -0.105 nan 8.380 nan 0.000 0.488 431 T N 0.515 115.003 114.554 -0.111 0.000 2.674 431 T HA -0.211 4.139 4.350 -0.000 0.000 0.265 431 T C 1.657 176.303 174.700 -0.090 0.000 1.039 431 T CA 1.441 63.487 62.100 -0.090 0.000 1.150 431 T CB 0.171 68.942 68.868 -0.161 0.000 0.864 431 T HN 0.532 nan 8.240 nan 0.000 0.427 432 E N 1.378 121.397 120.200 -0.303 0.000 2.049 432 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 432 E C 2.237 178.899 176.600 0.103 0.000 1.007 432 E CA 1.654 57.983 56.400 -0.119 0.000 0.809 432 E CB -0.180 29.391 29.700 -0.216 0.000 0.749 432 E HN 0.453 nan 8.360 nan 0.000 0.450 433 K N 0.106 120.521 120.400 0.026 0.000 2.052 433 K HA -0.252 4.068 4.320 -0.000 0.000 0.215 433 K C 2.310 178.953 176.600 0.071 0.000 1.053 433 K CA 1.924 58.236 56.287 0.042 0.000 0.934 433 K CB -0.388 32.120 32.500 0.014 0.000 0.717 433 K HN 0.241 nan 8.250 nan 0.000 0.450 434 L N 0.607 121.880 121.223 0.083 0.000 2.046 434 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 434 L C 2.220 179.189 176.870 0.166 0.000 1.077 434 L CA 1.764 56.667 54.840 0.105 0.000 0.747 434 L CB -1.067 41.054 42.059 0.102 0.000 0.896 434 L HN 0.363 nan 8.230 nan 0.000 0.432 435 Y N 0.864 121.230 120.300 0.111 0.000 2.081 435 Y HA -0.327 4.223 4.550 -0.000 0.000 0.280 435 Y C 2.481 178.462 175.900 0.135 0.000 1.163 435 Y CA 2.369 60.570 58.100 0.169 0.000 1.135 435 Y CB -0.443 38.211 38.460 0.323 0.000 0.970 435 Y HN 0.235 nan 8.280 nan 0.000 0.498 436 K N -0.012 120.349 120.400 -0.064 0.000 2.032 436 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 436 K C 2.141 178.676 176.600 -0.108 0.000 1.048 436 K CA 1.894 58.080 56.287 -0.169 0.000 0.927 436 K CB -0.265 32.224 32.500 -0.019 0.000 0.712 436 K HN 0.437 nan 8.250 nan 0.000 0.441 437 E N 0.272 120.463 120.200 -0.015 0.000 2.038 437 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 437 E C 1.983 178.601 176.600 0.030 0.000 1.000 437 E CA 1.615 58.028 56.400 0.021 0.000 0.803 437 E CB -0.004 29.729 29.700 0.055 0.000 0.750 437 E HN 0.042 nan 8.360 nan 0.000 0.448 438 V N 0.856 120.793 119.914 0.039 0.000 2.282 438 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 438 V C 2.297 178.390 176.094 -0.001 0.000 1.057 438 V CA 1.959 64.300 62.300 0.069 0.000 1.032 438 V CB -0.549 31.340 31.823 0.109 0.000 0.645 438 V HN 0.143 nan 8.190 nan 0.000 0.447 439 R N 0.798 121.224 120.500 -0.123 0.000 2.115 439 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 439 R C 2.102 178.351 176.300 -0.086 0.000 1.133 439 R CA 1.709 57.711 56.100 -0.163 0.000 0.935 439 R CB -0.700 29.404 30.300 -0.326 0.000 0.853 439 R HN 0.690 nan 8.270 nan 0.000 0.433 440 Q N -0.235 119.518 119.800 -0.078 0.000 2.307 440 Q HA 0.083 4.423 4.340 -0.000 0.000 0.216 440 Q C 0.709 176.663 176.000 -0.078 0.000 0.931 440 Q CA 0.386 56.152 55.803 -0.062 0.000 0.953 440 Q CB 0.282 28.991 28.738 -0.048 0.000 1.006 440 Q HN 0.238 nan 8.270 nan 0.000 0.472 441 R N -1.633 118.816 120.500 -0.084 0.000 2.729 441 R HA 0.160 4.500 4.340 -0.000 0.000 0.215 441 R C -0.009 176.188 176.300 -0.172 0.000 0.970 441 R CA 0.420 56.405 56.100 -0.191 0.000 1.196 441 R CB 1.288 31.496 30.300 -0.154 0.000 1.670 441 R HN 0.023 nan 8.270 nan 0.000 0.575 442 T N -0.482 114.045 114.554 -0.046 0.000 2.787 442 T HA 0.325 4.675 4.350 -0.000 0.000 0.297 442 T C -0.548 174.154 174.700 0.004 0.000 1.221 442 T CA -0.706 61.389 62.100 -0.010 0.000 1.006 442 T CB 1.879 70.782 68.868 0.059 0.000 1.328 442 T HN -0.056 nan 8.240 nan 0.000 0.509 443 N N -0.137 118.571 118.700 0.013 0.000 2.241 443 N HA 0.239 4.979 4.740 -0.000 0.000 0.238 443 N C 1.400 176.925 175.510 0.025 0.000 1.244 443 N CA 0.074 53.137 53.050 0.021 0.000 0.880 443 N CB 0.795 39.294 38.487 0.019 0.000 1.179 443 N HN 0.630 nan 8.380 nan 0.000 0.513 444 A N 0.710 123.542 122.820 0.021 0.000 1.948 444 A HA -0.047 4.272 4.320 -0.000 0.000 0.220 444 A C 1.063 178.627 177.584 -0.034 0.000 1.177 444 A CA 0.855 52.893 52.037 0.001 0.000 0.636 444 A CB -0.294 18.707 19.000 0.002 0.000 0.815 444 A HN 0.238 nan 8.150 nan 0.000 0.449 445 L N 2.078 123.295 121.223 -0.010 0.000 2.295 445 L HA 0.192 4.532 4.340 -0.000 0.000 0.288 445 L C -0.341 176.580 176.870 0.085 0.000 1.079 445 L CA -0.772 54.068 54.840 -0.000 0.000 0.830 445 L CB 0.360 42.491 42.059 0.120 0.000 1.200 445 L HN 0.507 nan 8.230 nan 0.000 0.438 446 D N 2.108 122.562 120.400 0.089 0.000 2.363 446 D HA 0.077 4.717 4.640 -0.000 0.000 0.240 446 D C 1.152 177.531 176.300 0.130 0.000 1.236 446 D CA -0.717 53.349 54.000 0.111 0.000 0.927 446 D CB 0.956 41.823 40.800 0.111 0.000 1.150 446 D HN 0.178 nan 8.370 nan 0.000 0.458 447 V N -0.205 119.760 119.914 0.084 0.000 2.392 447 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 447 V C 2.543 178.574 176.094 -0.105 0.000 1.059 447 V CA 2.178 64.510 62.300 0.052 0.000 1.051 447 V CB -1.320 30.554 31.823 0.084 0.000 0.658 447 V HN 0.713 nan 8.190 nan 0.000 0.455 448 Q N -0.382 119.279 119.800 -0.231 0.000 2.016 448 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 448 Q C 2.205 178.096 176.000 -0.182 0.000 0.978 448 Q CA 2.103 57.499 55.803 -0.678 0.000 0.833 448 Q CB -0.260 28.263 28.738 -0.359 0.000 0.895 448 Q HN 0.565 nan 8.270 nan 0.000 0.427 449 F N 1.030 120.961 119.950 -0.031 0.000 2.025 449 F HA -0.352 4.175 4.527 -0.000 0.000 0.297 449 F C 2.451 178.165 175.800 -0.143 0.000 1.132 449 F CA 1.941 59.906 58.000 -0.059 0.000 1.191 449 F CB -0.809 38.141 39.000 -0.083 0.000 0.963 449 F HN 0.260 nan 8.300 nan 0.000 0.481 450 C N -0.504 118.869 119.300 0.122 0.000 2.392 450 C HA -0.278 4.182 4.460 -0.000 0.000 0.276 450 C C 2.509 177.356 174.990 -0.238 0.000 1.212 450 C CA 1.168 60.182 59.018 -0.007 0.000 1.791 450 C CB -2.029 25.847 27.740 0.226 0.000 2.063 450 C HN 0.861 nan 8.230 nan 0.000 0.481 451 W N -0.388 120.714 121.300 -0.330 0.000 2.380 451 W HA -0.118 4.542 4.660 -0.000 0.000 0.317 451 W C 2.565 178.827 176.519 -0.429 0.000 1.196 451 W CA 1.550 58.669 57.345 -0.377 0.000 1.307 451 W CB -1.127 28.094 29.460 -0.398 0.000 1.157 451 W HN 0.476 nan 8.180 nan 0.000 0.483 452 Y N 0.584 120.414 120.300 -0.783 0.000 2.114 452 Y HA -0.388 4.162 4.550 -0.000 0.000 0.282 452 Y C 2.616 177.809 175.900 -1.178 0.000 1.165 452 Y CA 1.879 59.337 58.100 -1.069 0.000 1.148 452 Y CB -0.506 37.591 38.460 -0.605 0.000 0.972 452 Y HN 0.082 nan 8.280 nan 0.000 0.504 453 L N 0.178 120.843 121.223 -0.930 0.000 1.970 453 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 453 L C 2.248 178.687 176.870 -0.719 0.000 1.071 453 L CA 1.923 56.254 54.840 -0.848 0.000 0.751 453 L CB -0.571 41.032 42.059 -0.760 0.000 0.889 453 L HN 0.297 nan 8.230 nan 0.000 0.432 454 I N -0.413 119.637 120.570 -0.868 0.000 2.248 454 I HA -0.336 3.834 4.170 -0.000 0.000 0.248 454 I C 2.582 178.316 176.117 -0.637 0.000 1.107 454 I CA 1.043 61.728 61.300 -1.026 0.000 1.373 454 I CB -0.344 36.989 38.000 -1.112 0.000 1.055 454 I HN 0.454 nan 8.210 nan 0.000 0.418 455 Q N 0.434 119.812 119.800 -0.704 0.000 2.046 455 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 455 Q C 2.305 178.205 176.000 -0.167 0.000 0.975 455 Q CA 2.068 57.574 55.803 -0.495 0.000 0.836 455 Q CB -0.754 27.299 28.738 -1.142 0.000 0.896 455 Q HN 0.437 nan 8.270 nan 0.000 0.428 456 T N 1.150 115.531 114.554 -0.288 0.000 2.674 456 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 456 T C 1.796 176.492 174.700 -0.007 0.000 1.039 456 T CA 1.045 63.076 62.100 -0.116 0.000 1.150 456 T CB -0.338 68.383 68.868 -0.244 0.000 0.864 456 T HN 0.172 nan 8.240 nan 0.000 0.427 457 L N 0.497 121.672 121.223 -0.080 0.000 2.081 457 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 457 L C 2.867 179.768 176.870 0.052 0.000 1.080 457 L CA 1.549 56.393 54.840 0.007 0.000 0.754 457 L CB -0.659 41.406 42.059 0.010 0.000 0.893 457 L HN 0.233 nan 8.230 nan 0.000 0.433 458 R N 0.074 120.586 120.500 0.019 0.000 2.061 458 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 458 R C 2.004 178.239 176.300 -0.109 0.000 1.140 458 R CA 1.412 57.491 56.100 -0.035 0.000 0.940 458 R CB -0.216 30.029 30.300 -0.092 0.000 0.839 458 R HN 0.138 nan 8.270 nan 0.000 0.429 459 F N 0.379 120.322 119.950 -0.012 0.000 2.802 459 F HA 0.029 4.556 4.527 -0.000 0.000 0.302 459 F C 0.718 176.531 175.800 0.022 0.000 1.211 459 F CA 0.839 58.847 58.000 0.012 0.000 1.431 459 F CB 0.008 39.020 39.000 0.021 0.000 1.114 459 F HN 0.167 nan 8.300 nan 0.000 0.567 460 N N -1.675 117.102 118.700 0.127 0.000 2.116 460 N HA 0.193 4.933 4.740 -0.000 0.000 0.230 460 N C 1.461 177.018 175.510 0.077 0.000 1.326 460 N CA 0.425 53.542 53.050 0.111 0.000 0.867 460 N CB 1.011 39.575 38.487 0.128 0.000 1.174 460 N HN 0.124 nan 8.380 nan 0.000 0.506 461 G N 0.354 109.181 108.800 0.045 0.000 2.257 461 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.267 461 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.267 461 G C 1.241 176.174 174.900 0.055 0.000 0.984 461 G CA 1.491 46.610 45.100 0.033 0.000 0.626 461 G HN 0.334 nan 8.290 nan 0.000 0.540 462 T N -0.298 114.310 114.554 0.090 0.000 2.649 462 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 462 T C 1.446 176.214 174.700 0.114 0.000 1.036 462 T CA 2.101 64.281 62.100 0.133 0.000 1.157 462 T CB -0.035 68.950 68.868 0.195 0.000 0.861 462 T HN 0.673 nan 8.240 nan 0.000 0.445 463 R N -1.169 119.381 120.500 0.084 0.000 2.870 463 R HA 0.617 4.957 4.340 -0.000 0.000 0.262 463 R C -1.827 174.474 176.300 0.002 0.000 1.112 463 R CA -0.708 55.410 56.100 0.031 0.000 0.976 463 R CB 1.484 31.809 30.300 0.042 0.000 1.261 463 R HN 0.094 nan 8.270 nan 0.000 0.453 464 V N -1.317 118.520 119.914 -0.129 0.000 2.789 464 V HA 0.799 4.918 4.120 -0.000 0.000 0.311 464 V C -1.128 174.793 176.094 -0.289 0.000 1.073 464 V CA -0.708 61.529 62.300 -0.106 0.000 0.921 464 V CB 1.831 33.594 31.823 -0.099 0.000 1.009 464 V HN 0.512 nan 8.190 nan 0.000 0.426 465 F N 0.509 120.431 119.950 -0.046 0.000 2.599 465 F HA 0.682 5.208 4.527 -0.000 0.000 0.311 465 F C 0.738 176.534 175.800 -0.007 0.000 1.076 465 F CA -0.585 57.399 58.000 -0.027 0.000 0.937 465 F CB 2.549 41.511 39.000 -0.062 0.000 1.282 465 F HN 0.624 nan 8.300 nan 0.000 0.460 466 S N 2.220 118.053 115.700 0.222 0.000 2.560 466 S HA 0.047 4.516 4.470 -0.000 0.000 0.284 466 S C 1.197 175.874 174.600 0.129 0.000 1.327 466 S CA -0.659 57.624 58.200 0.140 0.000 1.055 466 S CB 0.835 64.118 63.200 0.138 0.000 0.868 466 S HN 0.493 nan 8.310 nan 0.000 0.506 467 K N 2.262 122.714 120.400 0.086 0.000 2.074 467 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 467 K C 2.055 178.709 176.600 0.091 0.000 1.048 467 K CA 1.532 57.863 56.287 0.072 0.000 0.926 467 K CB -0.331 32.202 32.500 0.055 0.000 0.713 467 K HN 0.773 nan 8.250 nan 0.000 0.444 468 E N -0.024 120.239 120.200 0.104 0.000 2.072 468 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 468 E C 1.815 178.504 176.600 0.148 0.000 0.985 468 E CA 1.185 57.659 56.400 0.123 0.000 0.801 468 E CB -0.849 28.918 29.700 0.112 0.000 0.750 468 E HN 0.155 nan 8.360 nan 0.000 0.452 469 T N 1.143 115.799 114.554 0.170 0.000 2.951 469 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 469 T C 1.969 176.762 174.700 0.156 0.000 1.073 469 T CA 1.360 63.590 62.100 0.216 0.000 1.134 469 T CB -0.153 68.917 68.868 0.337 0.000 0.884 469 T HN 0.211 nan 8.240 nan 0.000 0.479 470 S N 0.592 116.356 115.700 0.107 0.000 2.428 470 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 470 S C 1.602 176.242 174.600 0.067 0.000 1.014 470 S CA 0.834 59.052 58.200 0.030 0.000 0.957 470 S CB -0.275 62.945 63.200 0.033 0.000 0.784 470 S HN 0.317 nan 8.310 nan 0.000 0.499 471 D N 1.017 121.459 120.400 0.070 0.000 2.149 471 D HA -0.001 4.639 4.640 -0.000 0.000 0.206 471 D C 1.906 178.239 176.300 0.056 0.000 0.967 471 D CA 0.763 54.751 54.000 -0.020 0.000 0.848 471 D CB -0.510 40.283 40.800 -0.012 0.000 0.998 471 D HN 0.567 nan 8.370 nan 0.000 0.474 472 E N 0.661 120.986 120.200 0.207 0.000 2.130 472 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 472 E C 1.816 178.556 176.600 0.233 0.000 0.998 472 E CA 1.273 57.843 56.400 0.284 0.000 0.806 472 E CB 0.042 29.868 29.700 0.210 0.000 0.738 472 E HN 0.168 nan 8.360 nan 0.000 0.459 473 A N -0.058 122.875 122.820 0.189 0.000 1.968 473 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 473 A C 2.294 180.015 177.584 0.228 0.000 1.169 473 A CA 1.681 53.839 52.037 0.202 0.000 0.638 473 A CB -0.540 18.548 19.000 0.147 0.000 0.812 473 A HN 0.318 nan 8.150 nan 0.000 0.446 474 T N -0.648 114.009 114.554 0.172 0.000 2.732 474 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 474 T C 1.574 176.201 174.700 -0.122 0.000 1.040 474 T CA 1.320 63.411 62.100 -0.016 0.000 1.145 474 T CB -0.485 68.346 68.868 -0.062 0.000 0.866 474 T HN 0.424 nan 8.240 nan 0.000 0.427 475 F N 1.951 121.896 119.950 -0.007 0.000 2.027 475 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 475 F C 2.906 178.655 175.800 -0.085 0.000 1.129 475 F CA 1.135 59.100 58.000 -0.059 0.000 1.195 475 F CB -0.726 38.253 39.000 -0.035 0.000 0.960 475 F HN 0.128 nan 8.300 nan 0.000 0.485 476 A N -0.380 122.557 122.820 0.195 0.000 1.940 476 A HA -0.316 4.004 4.320 -0.000 0.000 0.221 476 A C 1.995 179.628 177.584 0.081 0.000 1.190 476 A CA 2.206 54.303 52.037 0.099 0.000 0.647 476 A CB -1.265 17.809 19.000 0.123 0.000 0.821 476 A HN 0.469 nan 8.150 nan 0.000 0.457 477 F N 0.235 120.090 119.950 -0.158 0.000 2.219 477 F HA 0.235 4.762 4.527 -0.000 0.000 0.294 477 F C 2.540 178.143 175.800 -0.328 0.000 1.086 477 F CA 0.381 58.219 58.000 -0.270 0.000 1.330 477 F CB -0.822 37.919 39.000 -0.432 0.000 1.047 477 F HN 0.246 nan 8.300 nan 0.000 0.495 478 A N 0.293 122.920 122.820 -0.321 0.000 1.978 478 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 478 A C 2.391 179.788 177.584 -0.312 0.000 1.170 478 A CA 1.989 53.806 52.037 -0.367 0.000 0.636 478 A CB -1.370 17.500 19.000 -0.217 0.000 0.810 478 A HN 0.444 nan 8.150 nan 0.000 0.448 479 A N -1.332 121.320 122.820 -0.281 0.000 1.843 479 A HA -0.069 4.251 4.320 -0.000 0.000 0.213 479 A C 2.007 179.241 177.584 -0.584 0.000 1.202 479 A CA 1.313 53.072 52.037 -0.463 0.000 0.607 479 A CB -0.556 18.158 19.000 -0.478 0.000 0.847 479 A HN 0.401 nan 8.150 nan 0.000 0.445 480 Q N -0.017 119.561 119.800 -0.370 0.000 2.268 480 Q HA -0.183 4.157 4.340 -0.000 0.000 0.210 480 Q C 2.020 177.925 176.000 -0.158 0.000 0.988 480 Q CA 1.326 57.024 55.803 -0.176 0.000 0.883 480 Q CB -0.620 28.135 28.738 0.029 0.000 0.911 480 Q HN 0.715 nan 8.270 nan 0.000 0.430 481 L N -0.132 120.898 121.223 -0.321 0.000 2.095 481 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 481 L C 2.490 179.217 176.870 -0.237 0.000 1.080 481 L CA 0.848 55.478 54.840 -0.351 0.000 0.759 481 L CB -0.278 41.417 42.059 -0.607 0.000 0.914 481 L HN 0.230 nan 8.230 nan 0.000 0.439 482 E N 0.460 120.519 120.200 -0.236 0.000 2.077 482 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 482 E C 2.233 178.843 176.600 0.016 0.000 0.989 482 E CA 1.282 57.593 56.400 -0.148 0.000 0.800 482 E CB -0.137 29.532 29.700 -0.053 0.000 0.746 482 E HN 0.428 nan 8.360 nan 0.000 0.452 483 F N -0.007 119.889 119.950 -0.090 0.000 2.307 483 F HA -0.169 4.358 4.527 -0.000 0.000 0.301 483 F C 2.060 177.823 175.800 -0.061 0.000 1.076 483 F CA 0.124 58.097 58.000 -0.045 0.000 1.383 483 F CB 0.042 39.034 39.000 -0.014 0.000 1.055 483 F HN 0.164 nan 8.300 nan 0.000 0.526 484 A N -0.809 122.070 122.820 0.098 0.000 2.307 484 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 484 A C 1.127 178.661 177.584 -0.084 0.000 1.228 484 A CA 0.126 52.185 52.037 0.037 0.000 0.857 484 A CB -0.028 19.068 19.000 0.160 0.000 0.897 484 A HN 0.392 nan 8.150 nan 0.000 0.495 485 Q N -2.407 117.286 119.800 -0.179 0.000 2.342 485 Q HA -0.199 4.141 4.340 -0.000 0.000 0.196 485 Q C 0.098 175.822 176.000 -0.460 0.000 0.629 485 Q CA 1.292 56.901 55.803 -0.323 0.000 1.365 485 Q CB -2.330 26.345 28.738 -0.104 0.000 1.406 485 Q HN 0.666 nan 8.270 nan 0.000 0.840 486 L N 2.559 123.601 121.223 -0.302 0.000 2.416 486 L HA 0.099 4.439 4.340 -0.000 0.000 0.243 486 L C 1.730 178.492 176.870 -0.180 0.000 1.373 486 L CA -0.267 54.486 54.840 -0.144 0.000 1.227 486 L CB -0.281 41.755 42.059 -0.037 0.000 1.428 486 L HN 0.118 nan 8.230 nan 0.000 0.425 487 H N 1.423 120.516 119.070 0.037 0.000 2.423 487 H HA -0.068 4.488 4.556 -0.000 0.000 0.297 487 H C 1.993 177.345 175.328 0.039 0.000 1.075 487 H CA 1.229 57.291 56.048 0.024 0.000 1.342 487 H CB 0.111 29.885 29.762 0.021 0.000 1.395 487 H HN 0.647 nan 8.280 nan 0.000 0.530 488 G N 0.734 109.627 108.800 0.155 0.000 2.484 488 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.215 488 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.215 488 G C 1.656 176.632 174.900 0.127 0.000 1.219 488 G CA 0.894 46.065 45.100 0.119 0.000 0.791 488 G HN 0.410 nan 8.290 nan 0.000 0.550 489 H N 0.949 120.045 119.070 0.043 0.000 2.319 489 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 489 H C 2.811 178.084 175.328 -0.092 0.000 1.097 489 H CA 1.873 57.942 56.048 0.035 0.000 1.285 489 H CB -0.520 29.227 29.762 -0.024 0.000 1.368 489 H HN 0.378 nan 8.280 nan 0.000 0.495 490 S N -0.347 115.366 115.700 0.022 0.000 2.474 490 S HA -0.088 4.381 4.470 -0.000 0.000 0.235 490 S C 2.141 176.703 174.600 -0.063 0.000 0.997 490 S CA 0.884 58.998 58.200 -0.143 0.000 0.949 490 S CB -0.265 62.839 63.200 -0.160 0.000 0.766 490 S HN 0.314 nan 8.310 nan 0.000 0.517 491 L N 0.798 122.047 121.223 0.044 0.000 2.102 491 L HA 0.256 4.596 4.340 -0.000 0.000 0.202 491 L C 1.846 178.792 176.870 0.126 0.000 1.076 491 L CA 1.637 56.519 54.840 0.070 0.000 0.761 491 L CB -1.187 40.926 42.059 0.090 0.000 0.921 491 L HN 0.508 nan 8.230 nan 0.000 0.444 492 F N -0.387 119.542 119.950 -0.037 0.000 2.015 492 F HA -0.373 4.154 4.527 -0.000 0.000 0.297 492 F C 2.236 178.089 175.800 0.088 0.000 1.141 492 F CA 2.418 60.411 58.000 -0.011 0.000 1.192 492 F CB -0.315 38.632 39.000 -0.089 0.000 0.957 492 F HN -0.059 nan 8.300 nan 0.000 0.491 493 V N 0.671 120.452 119.914 -0.222 0.000 2.277 493 V HA -0.412 3.708 4.120 -0.000 0.000 0.253 493 V C 2.377 178.432 176.094 -0.065 0.000 1.067 493 V CA 2.231 64.260 62.300 -0.452 0.000 1.047 493 V CB -1.190 30.116 31.823 -0.862 0.000 0.649 493 V HN 0.495 nan 8.190 nan 0.000 0.447 494 S N -0.814 114.834 115.700 -0.087 0.000 2.400 494 S HA -0.305 4.165 4.470 -0.000 0.000 0.234 494 S C 1.994 176.600 174.600 0.009 0.000 1.049 494 S CA 1.877 60.040 58.200 -0.062 0.000 1.039 494 S CB -0.758 62.420 63.200 -0.036 0.000 0.856 494 S HN 0.741 nan 8.310 nan 0.000 0.465 495 C N 0.820 120.168 119.300 0.080 0.000 2.413 495 C HA -0.059 4.401 4.460 -0.000 0.000 0.276 495 C C 2.048 177.046 174.990 0.013 0.000 1.248 495 C CA 0.067 59.100 59.018 0.025 0.000 1.742 495 C CB -1.918 25.809 27.740 -0.020 0.000 2.017 495 C HN 0.551 nan 8.230 nan 0.000 0.481 496 F N 0.963 120.949 119.950 0.060 0.000 2.549 496 F HA -0.002 4.525 4.527 -0.000 0.000 0.295 496 F C 1.053 176.896 175.800 0.072 0.000 1.124 496 F CA 0.200 58.285 58.000 0.142 0.000 1.482 496 F CB -1.110 38.061 39.000 0.285 0.000 1.108 496 F HN 0.093 nan 8.300 nan 0.000 0.602 497 L N 0.350 121.634 121.223 0.102 0.000 2.453 497 L HA -0.010 4.330 4.340 -0.000 0.000 0.272 497 L C 1.178 178.057 176.870 0.015 0.000 1.182 497 L CA 0.677 55.497 54.840 -0.033 0.000 0.858 497 L CB 0.124 42.081 42.059 -0.171 0.000 1.120 497 L HN 0.021 nan 8.230 nan 0.000 0.474 498 N N 0.423 119.132 118.700 0.015 0.000 2.368 498 N HA -0.068 4.672 4.740 -0.000 0.000 0.176 498 N C -0.199 175.326 175.510 0.025 0.000 1.021 498 N CA 0.228 53.296 53.050 0.029 0.000 0.888 498 N CB 0.148 38.657 38.487 0.035 0.000 0.995 498 N HN 0.591 nan 8.380 nan 0.000 0.437 499 D N 0.956 121.371 120.400 0.025 0.000 2.346 499 D HA -0.018 4.622 4.640 -0.000 0.000 0.260 499 D C 0.308 176.624 176.300 0.026 0.000 1.252 499 D CA 0.082 54.106 54.000 0.041 0.000 0.895 499 D CB 0.397 41.245 40.800 0.080 0.000 1.097 499 D HN 0.092 nan 8.370 nan 0.000 0.489 500 D N 3.497 123.912 120.400 0.026 0.000 2.097 500 D HA -0.189 4.451 4.640 -0.000 0.000 0.195 500 D C 1.533 177.832 176.300 -0.002 0.000 0.989 500 D CA 0.970 54.983 54.000 0.021 0.000 0.827 500 D CB 0.222 41.044 40.800 0.036 0.000 0.966 500 D HN 0.339 nan 8.370 nan 0.000 0.456 501 K N 1.268 121.675 120.400 0.011 0.000 2.001 501 K HA -0.135 4.185 4.320 -0.000 0.000 0.214 501 K C 2.017 178.607 176.600 -0.017 0.000 1.050 501 K CA 1.714 58.001 56.287 -0.001 0.000 0.934 501 K CB -0.644 31.867 32.500 0.018 0.000 0.718 501 K HN 0.060 nan 8.250 nan 0.000 0.443 502 A N 0.221 123.062 122.820 0.034 0.000 1.902 502 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 502 A C 2.334 179.934 177.584 0.026 0.000 1.181 502 A CA 2.141 54.233 52.037 0.092 0.000 0.623 502 A CB -1.096 18.067 19.000 0.272 0.000 0.818 502 A HN 0.418 nan 8.150 nan 0.000 0.443 503 A N -0.098 122.704 122.820 -0.031 0.000 1.865 503 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 503 A C 2.009 179.443 177.584 -0.251 0.000 1.191 503 A CA 2.049 54.029 52.037 -0.095 0.000 0.623 503 A CB -0.725 18.238 19.000 -0.061 0.000 0.826 503 A HN 0.711 nan 8.150 nan 0.000 0.444 504 E N -0.108 119.867 120.200 -0.375 0.000 2.007 504 E HA -0.334 4.016 4.350 -0.000 0.000 0.203 504 E C 1.829 178.070 176.600 -0.598 0.000 1.020 504 E CA 1.874 57.753 56.400 -0.869 0.000 0.845 504 E CB -0.374 29.023 29.700 -0.505 0.000 0.779 504 E HN 0.544 nan 8.360 nan 0.000 0.466 505 D N -0.686 119.545 120.400 -0.281 0.000 2.177 505 D HA -0.233 4.407 4.640 -0.000 0.000 0.189 505 D C 1.901 178.124 176.300 -0.128 0.000 1.002 505 D CA 3.031 56.938 54.000 -0.156 0.000 0.845 505 D CB -0.667 40.089 40.800 -0.074 0.000 0.960 505 D HN 0.290 nan 8.370 nan 0.000 0.447 506 T N 0.650 115.158 114.554 -0.077 0.000 2.653 506 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 506 T C 1.979 176.647 174.700 -0.054 0.000 1.035 506 T CA 1.538 63.623 62.100 -0.026 0.000 1.154 506 T CB -0.241 68.660 68.868 0.055 0.000 0.862 506 T HN 0.189 nan 8.240 nan 0.000 0.441 507 I N 1.453 121.957 120.570 -0.110 0.000 2.072 507 I HA -0.168 4.002 4.170 -0.000 0.000 0.235 507 I C 2.523 178.633 176.117 -0.011 0.000 1.058 507 I CA 1.553 62.825 61.300 -0.046 0.000 1.320 507 I CB -1.209 36.776 38.000 -0.025 0.000 1.047 507 I HN 0.328 nan 8.210 nan 0.000 0.397 508 K N 1.407 121.781 120.400 -0.045 0.000 1.986 508 K HA -0.314 4.006 4.320 -0.000 0.000 0.230 508 K C 2.329 178.925 176.600 -0.007 0.000 1.048 508 K CA 2.558 58.864 56.287 0.031 0.000 1.008 508 K CB -0.483 32.016 32.500 -0.001 0.000 0.737 508 K HN 0.070 nan 8.250 nan 0.000 0.447 509 R N 0.182 120.661 120.500 -0.034 0.000 2.190 509 R HA -0.236 4.104 4.340 -0.000 0.000 0.255 509 R C 2.507 178.785 176.300 -0.037 0.000 1.143 509 R CA 2.298 58.377 56.100 -0.036 0.000 0.965 509 R CB -0.480 29.797 30.300 -0.038 0.000 0.889 509 R HN 0.476 nan 8.270 nan 0.000 0.448 510 L N 0.021 121.227 121.223 -0.028 0.000 2.179 510 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 510 L C 1.974 178.815 176.870 -0.047 0.000 1.096 510 L CA 1.207 56.026 54.840 -0.034 0.000 0.779 510 L CB -0.127 41.935 42.059 0.005 0.000 0.922 510 L HN -0.013 nan 8.230 nan 0.000 0.443 511 V N 0.145 120.050 119.914 -0.015 0.000 2.255 511 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 511 V C 2.569 178.639 176.094 -0.040 0.000 1.051 511 V CA 2.510 64.805 62.300 -0.009 0.000 1.018 511 V CB -0.727 31.111 31.823 0.026 0.000 0.641 511 V HN 0.440 nan 8.190 nan 0.000 0.445 512 M N -0.369 119.203 119.600 -0.047 0.000 2.074 512 M HA -0.152 4.328 4.480 -0.000 0.000 0.259 512 M C 2.413 178.655 176.300 -0.097 0.000 1.079 512 M CA 1.801 57.060 55.300 -0.068 0.000 1.119 512 M CB -0.767 31.793 32.600 -0.066 0.000 1.297 512 M HN 0.100 nan 8.290 nan 0.000 0.416 513 R N 0.601 121.040 120.500 -0.102 0.000 2.407 513 R HA -0.176 4.164 4.340 -0.000 0.000 0.241 513 R C 0.299 176.500 176.300 -0.164 0.000 1.180 513 R CA 1.143 57.167 56.100 -0.127 0.000 1.048 513 R CB 0.101 30.339 30.300 -0.103 0.000 0.847 513 R HN 0.413 nan 8.270 nan 0.000 0.488 514 E N -1.123 118.981 120.200 -0.159 0.000 2.703 514 E HA 0.007 4.357 4.350 -0.000 0.000 0.214 514 E C 1.369 177.910 176.600 -0.098 0.000 0.944 514 E CA 0.180 56.472 56.400 -0.180 0.000 1.299 514 E CB 0.016 29.511 29.700 -0.341 0.000 1.189 514 E HN 0.342 nan 8.360 nan 0.000 0.597 515 I N -0.065 120.464 120.570 -0.067 0.000 2.285 515 I HA -0.361 3.809 4.170 -0.000 0.000 0.254 515 I C 1.973 178.084 176.117 -0.009 0.000 1.093 515 I CA 1.707 62.991 61.300 -0.027 0.000 1.368 515 I CB -1.445 36.545 38.000 -0.017 0.000 1.054 515 I HN -0.110 nan 8.210 nan 0.000 0.435 516 T N 2.357 116.902 114.554 -0.014 0.000 2.502 516 T HA -0.145 4.205 4.350 -0.000 0.000 0.258 516 T C 1.786 176.493 174.700 0.012 0.000 1.146 516 T CA 1.946 64.050 62.100 0.006 0.000 1.208 516 T CB -0.551 68.325 68.868 0.013 0.000 0.864 516 T HN 0.202 nan 8.240 nan 0.000 0.402 517 L N 0.851 122.081 121.223 0.013 0.000 2.189 517 L HA -0.014 4.326 4.340 -0.000 0.000 0.214 517 L C 2.002 178.897 176.870 0.041 0.000 1.097 517 L CA 1.281 56.142 54.840 0.034 0.000 0.764 517 L CB -1.055 41.040 42.059 0.060 0.000 0.900 517 L HN 0.278 nan 8.230 nan 0.000 0.436 518 L N -0.105 121.138 121.223 0.034 0.000 2.713 518 L HA 0.017 4.357 4.340 -0.000 0.000 0.245 518 L C 1.199 178.092 176.870 0.037 0.000 1.169 518 L CA 0.163 55.029 54.840 0.044 0.000 0.962 518 L CB -0.395 41.688 42.059 0.040 0.000 1.161 518 L HN 0.269 nan 8.230 nan 0.000 0.427 519 R N -1.263 119.250 120.500 0.022 0.000 2.549 519 R HA 0.294 4.634 4.340 -0.000 0.000 0.399 519 R C 1.299 177.580 176.300 -0.031 0.000 0.964 519 R CA 0.551 56.651 56.100 -0.001 0.000 1.173 519 R CB 0.674 30.973 30.300 -0.002 0.000 1.535 519 R HN 0.206 nan 8.270 nan 0.000 0.551 520 A N 1.260 124.074 122.820 -0.011 0.000 1.843 520 A HA 0.159 4.479 4.320 -0.000 0.000 0.213 520 A C 1.036 178.602 177.584 -0.030 0.000 1.239 520 A CA 0.887 52.913 52.037 -0.019 0.000 0.606 520 A CB -0.025 18.976 19.000 0.002 0.000 0.903 520 A HN 0.147 nan 8.150 nan 0.000 0.455 521 S N -0.857 114.840 115.700 -0.003 0.000 2.693 521 S HA 0.357 4.827 4.470 -0.000 0.000 0.276 521 S C 0.933 175.548 174.600 0.025 0.000 1.192 521 S CA -0.037 58.167 58.200 0.006 0.000 0.994 521 S CB 1.333 64.547 63.200 0.023 0.000 1.012 521 S HN 0.374 nan 8.310 nan 0.000 0.550 522 T N 2.650 117.232 114.554 0.046 0.000 2.995 522 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 522 T C 1.909 176.665 174.700 0.093 0.000 1.091 522 T CA 1.038 63.208 62.100 0.115 0.000 1.128 522 T CB -0.436 68.490 68.868 0.098 0.000 0.891 522 T HN 0.730 nan 8.240 nan 0.000 0.492 523 N N 1.187 119.917 118.700 0.050 0.000 2.459 523 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 523 N C 0.883 176.411 175.510 0.030 0.000 1.046 523 N CA 0.869 53.933 53.050 0.024 0.000 0.904 523 N CB -0.084 38.418 38.487 0.024 0.000 0.964 523 N HN 0.339 nan 8.380 nan 0.000 0.444 524 D N -0.606 119.827 120.400 0.056 0.000 2.355 524 D HA -0.027 4.613 4.640 -0.000 0.000 0.206 524 D C 1.325 177.691 176.300 0.110 0.000 1.010 524 D CA 0.198 54.234 54.000 0.061 0.000 0.875 524 D CB 0.183 41.012 40.800 0.048 0.000 0.966 524 D HN 0.503 nan 8.370 nan 0.000 0.512 525 H N 0.944 120.006 119.070 -0.012 0.000 2.276 525 H HA 0.045 4.601 4.556 -0.000 0.000 0.307 525 H C 2.363 177.674 175.328 -0.029 0.000 1.061 525 H CA 0.497 56.536 56.048 -0.015 0.000 1.336 525 H CB 0.297 30.052 29.762 -0.012 0.000 1.396 525 H HN -0.068 nan 8.280 nan 0.000 0.503 526 I N 1.279 121.852 120.570 0.005 0.000 2.367 526 I HA -0.349 3.821 4.170 -0.000 0.000 0.256 526 I C 2.204 178.266 176.117 -0.092 0.000 1.132 526 I CA 0.759 62.001 61.300 -0.096 0.000 1.397 526 I CB -0.309 37.636 38.000 -0.090 0.000 1.074 526 I HN 0.321 nan 8.210 nan 0.000 0.435 527 L N 0.549 121.748 121.223 -0.039 0.000 1.921 527 L HA -0.258 4.082 4.340 -0.000 0.000 0.219 527 L C 2.308 179.167 176.870 -0.019 0.000 1.081 527 L CA 1.792 56.612 54.840 -0.033 0.000 0.771 527 L CB -0.869 41.198 42.059 0.012 0.000 0.888 527 L HN 0.344 nan 8.230 nan 0.000 0.433 528 N N 0.219 118.934 118.700 0.025 0.000 2.430 528 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 528 N C 1.744 177.243 175.510 -0.019 0.000 1.032 528 N CA 1.022 54.087 53.050 0.025 0.000 0.893 528 N CB -0.217 38.311 38.487 0.069 0.000 0.957 528 N HN 0.368 nan 8.380 nan 0.000 0.442 529 R N 0.201 120.662 120.500 -0.065 0.000 2.276 529 R HA 0.059 4.399 4.340 -0.000 0.000 0.203 529 R C 1.631 177.872 176.300 -0.098 0.000 1.017 529 R CA -0.083 55.946 56.100 -0.118 0.000 1.010 529 R CB -0.043 30.135 30.300 -0.204 0.000 0.900 529 R HN 0.048 nan 8.270 nan 0.000 0.469 530 L N 0.958 122.131 121.223 -0.085 0.000 1.952 530 L HA -0.258 4.082 4.340 -0.000 0.000 0.231 530 L C 1.126 177.956 176.870 -0.067 0.000 1.088 530 L CA 2.015 56.802 54.840 -0.089 0.000 0.802 530 L CB 0.037 42.060 42.059 -0.060 0.000 0.903 530 L HN 0.054 nan 8.230 nan 0.000 0.439 531 K N -1.547 118.828 120.400 -0.042 0.000 2.664 531 K HA 0.192 4.512 4.320 -0.000 0.000 0.151 531 K C -0.799 175.777 176.600 -0.041 0.000 1.259 531 K CA -0.240 56.022 56.287 -0.042 0.000 1.140 531 K CB 0.211 32.691 32.500 -0.033 0.000 1.054 531 K HN 0.014 nan 8.250 nan 0.000 0.463 532 I N 3.581 124.138 120.570 -0.023 0.000 2.742 532 I HA 0.008 4.178 4.170 -0.000 0.000 0.287 532 I C -1.999 174.065 176.117 -0.088 0.000 1.186 532 I CA -1.721 59.565 61.300 -0.023 0.000 1.417 532 I CB -0.752 37.255 38.000 0.011 0.000 1.377 532 I HN -0.198 nan 8.210 nan 0.000 0.556 533 P HA 0.020 nan 4.420 nan 0.000 0.263 533 P C 0.896 178.130 177.300 -0.109 0.000 1.175 533 P CA 0.348 63.315 63.100 -0.222 0.000 0.761 533 P CB 0.534 31.965 31.700 -0.448 0.000 0.794 534 S N 1.830 117.503 115.700 -0.044 0.000 2.372 534 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 534 S C 1.712 176.377 174.600 0.109 0.000 1.044 534 S CA 1.667 59.900 58.200 0.054 0.000 1.050 534 S CB -0.506 62.739 63.200 0.077 0.000 0.901 534 S HN 0.588 nan 8.310 nan 0.000 0.447 535 Q N 1.166 120.979 119.800 0.021 0.000 1.857 535 Q HA -0.139 4.201 4.340 -0.000 0.000 0.237 535 Q C 2.089 177.835 176.000 -0.423 0.000 1.004 535 Q CA 1.750 57.463 55.803 -0.149 0.000 0.881 535 Q CB -0.956 27.705 28.738 -0.128 0.000 0.946 535 Q HN 0.372 nan 8.270 nan 0.000 0.421 536 L N 0.029 121.090 121.223 -0.270 0.000 2.171 536 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 536 L C 1.992 178.758 176.870 -0.172 0.000 1.084 536 L CA 1.889 56.610 54.840 -0.199 0.000 0.771 536 L CB -0.439 41.574 42.059 -0.077 0.000 0.890 536 L HN 0.523 nan 8.230 nan 0.000 0.437 537 I N -1.524 118.977 120.570 -0.115 0.000 2.193 537 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 537 I C 2.302 178.423 176.117 0.007 0.000 1.084 537 I CA 1.532 62.818 61.300 -0.023 0.000 1.365 537 I CB -0.658 37.369 38.000 0.045 0.000 1.064 537 I HN 0.400 nan 8.210 nan 0.000 0.410 538 F N 1.449 121.401 119.950 0.004 0.000 2.293 538 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 538 F C 1.974 177.778 175.800 0.008 0.000 1.089 538 F CA 0.778 58.782 58.000 0.006 0.000 1.377 538 F CB -1.162 37.840 39.000 0.003 0.000 1.051 538 F HN -0.073 nan 8.300 nan 0.000 0.511 539 N N 1.486 119.615 118.700 -0.952 0.000 2.018 539 N HA -0.187 4.553 4.740 -0.000 0.000 0.196 539 N C 2.091 177.469 175.510 -0.219 0.000 1.043 539 N CA 2.287 54.910 53.050 -0.711 0.000 0.856 539 N CB -0.839 37.248 38.487 -0.668 0.000 1.042 539 N HN 0.453 nan 8.380 nan 0.000 0.423 540 A N 0.035 122.756 122.820 -0.164 0.000 1.902 540 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 540 A C 2.147 179.717 177.584 -0.023 0.000 1.181 540 A CA 1.773 53.763 52.037 -0.077 0.000 0.623 540 A CB -0.819 18.142 19.000 -0.065 0.000 0.818 540 A HN 0.384 nan 8.150 nan 0.000 0.443 541 Q N 0.080 119.888 119.800 0.014 0.000 2.135 541 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 541 Q C 2.016 178.074 176.000 0.097 0.000 0.981 541 Q CA 2.234 58.079 55.803 0.071 0.000 0.856 541 Q CB -0.677 28.134 28.738 0.122 0.000 0.902 541 Q HN 0.583 nan 8.270 nan 0.000 0.425 542 A N 0.141 123.035 122.820 0.123 0.000 1.851 542 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 542 A C 2.025 179.665 177.584 0.092 0.000 1.195 542 A CA 1.575 53.691 52.037 0.132 0.000 0.622 542 A CB -1.059 18.042 19.000 0.169 0.000 0.831 542 A HN 0.480 nan 8.150 nan 0.000 0.444 543 L N -0.655 120.602 121.223 0.057 0.000 2.450 543 L HA -0.080 4.260 4.340 -0.000 0.000 0.224 543 L C 1.992 178.905 176.870 0.072 0.000 1.149 543 L CA 2.140 57.008 54.840 0.046 0.000 0.816 543 L CB -0.260 41.794 42.059 -0.007 0.000 0.932 543 L HN 0.349 nan 8.230 nan 0.000 0.449 544 K N -0.744 119.705 120.400 0.082 0.000 2.418 544 K HA -0.035 4.285 4.320 -0.000 0.000 0.195 544 K C 1.259 178.019 176.600 0.267 0.000 1.035 544 K CA 1.067 57.444 56.287 0.150 0.000 1.003 544 K CB -0.036 32.517 32.500 0.088 0.000 0.793 544 K HN 0.412 nan 8.250 nan 0.000 0.494 545 D N -0.637 119.866 120.400 0.172 0.000 2.490 545 D HA -0.020 4.620 4.640 -0.000 0.000 0.244 545 D C 1.404 177.769 176.300 0.108 0.000 0.979 545 D CA 0.387 54.461 54.000 0.123 0.000 0.924 545 D CB -0.124 40.727 40.800 0.085 0.000 1.075 545 D HN 0.150 nan 8.370 nan 0.000 0.488 546 R N 0.219 120.789 120.500 0.117 0.000 2.339 546 R HA -0.114 4.226 4.340 -0.000 0.000 0.199 546 R C 1.527 177.905 176.300 0.130 0.000 1.018 546 R CA 0.566 56.722 56.100 0.094 0.000 1.036 546 R CB -0.138 30.211 30.300 0.081 0.000 0.899 546 R HN 0.332 nan 8.270 nan 0.000 0.473 547 Y N -1.684 118.623 120.300 0.012 0.000 2.535 547 Y HA 0.323 4.873 4.550 -0.000 0.000 0.264 547 Y C 0.974 176.879 175.900 0.008 0.000 1.087 547 Y CA -0.057 58.048 58.100 0.008 0.000 1.285 547 Y CB 0.592 39.056 38.460 0.007 0.000 1.200 547 Y HN -0.017 nan 8.280 nan 0.000 0.514 548 E N 1.347 121.405 120.200 -0.236 0.000 2.465 548 E HA 0.254 4.604 4.350 -0.000 0.000 0.191 548 E C 0.364 176.875 176.600 -0.149 0.000 1.053 548 E CA 0.417 56.628 56.400 -0.315 0.000 0.869 548 E CB 0.830 30.460 29.700 -0.115 0.000 0.977 548 E HN 0.549 nan 8.360 nan 0.000 0.483 549 G N 0.000 108.747 108.800 -0.089 0.000 5.446 549 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 549 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 549 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 549 G HN 0.000 nan 8.290 nan 0.000 0.925