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 2a1t_1_C DATA FIRST_RESID 9 DATA SEQUENCE GLGFSFEFTE QQKEFQATAR KFAREEIIPV AAEYDKTGEY PVPLIRRAWE DATA SEQUENCE LGLMNTHIPE NCGGLGLGTF DACLISEELA YGCTGVQTAI EGNSLGQMPI DATA SEQUENCE IIAGNDQQKK KYLGRMTEEP LMCAYCVTEP GAGSDVAGIK TKAEKKGDEY DATA SEQUENCE IINGQKMWIT NGGKANWYFL LARSDPDPKA PANKAFTGFI VEADTPGIQI DATA SEQUENCE GRKELNMGQR CSDTRGIVFE DVKVPKENVL IGDGAGFKVA MGAFDKTRPV DATA SEQUENCE VAAGAVGLAQ RALDEATKYA LERKTFGKLL VEHQAISFML AEMAMKVELA DATA SEQUENCE RMSYQRAAWE VDSGRRNTYY ASIAKAFAGD IANQLATDAV QILGGNGFNT DATA SEQUENCE EYPVEKLMRD AKIYQIYEGT SQIQRLIVAR EHIDKYKN 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 9 G C 0.000 174.922 174.900 0.036 0.000 0.946 9 G CA 0.000 45.128 45.100 0.046 0.000 0.502 10 L N 1.759 123.000 121.223 0.030 0.000 2.472 10 L HA 0.751 5.091 4.340 0.001 0.000 0.256 10 L C 1.696 178.591 176.870 0.042 0.000 1.111 10 L CA 0.304 55.160 54.840 0.027 0.000 0.800 10 L CB 0.599 42.666 42.059 0.014 0.000 1.286 10 L HN 0.649 nan 8.230 nan 0.000 0.479 11 G N -1.233 107.600 108.800 0.055 0.000 2.485 11 G HA2 0.178 4.139 3.960 0.001 0.000 0.260 11 G HA3 0.178 4.139 3.960 0.001 0.000 0.260 11 G C -0.397 174.583 174.900 0.134 0.000 1.459 11 G CA -0.448 44.722 45.100 0.116 0.000 1.060 11 G HN 0.188 nan 8.290 nan 0.000 0.546 12 F N -0.314 119.548 119.950 -0.146 0.000 2.589 12 F HA 0.420 4.947 4.527 0.001 0.000 0.352 12 F C 1.046 176.685 175.800 -0.268 0.000 1.168 12 F CA 0.017 57.851 58.000 -0.278 0.000 1.353 12 F CB 1.216 40.088 39.000 -0.213 0.000 1.116 12 F HN 0.266 nan 8.300 nan 0.000 0.608 13 S N 2.159 117.625 115.700 -0.390 0.000 2.548 13 S HA 0.608 5.078 4.470 0.001 0.000 0.276 13 S C -0.934 173.319 174.600 -0.577 0.000 1.129 13 S CA -0.595 57.435 58.200 -0.283 0.000 0.931 13 S CB 0.341 63.435 63.200 -0.177 0.000 1.068 13 S HN 0.334 nan 8.310 nan 0.000 0.480 14 F N 1.968 121.908 119.950 -0.017 0.000 2.798 14 F HA 0.477 5.005 4.527 0.001 0.000 0.333 14 F C 0.297 176.113 175.800 0.026 0.000 1.324 14 F CA -0.552 57.453 58.000 0.007 0.000 1.183 14 F CB 0.805 39.808 39.000 0.005 0.000 1.132 14 F HN 0.498 nan 8.300 nan 0.000 0.521 15 E N 0.803 121.083 120.200 0.132 0.000 2.218 15 E HA 0.401 4.751 4.350 0.001 0.000 0.263 15 E C -0.885 175.853 176.600 0.229 0.000 0.879 15 E CA -0.650 55.829 56.400 0.132 0.000 0.762 15 E CB 0.877 30.620 29.700 0.072 0.000 1.166 15 E HN -0.041 nan 8.360 nan 0.000 0.415 16 F N 2.425 122.393 119.950 0.030 0.000 2.572 16 F HA 0.128 4.655 4.527 0.001 0.000 0.370 16 F C 1.149 176.942 175.800 -0.013 0.000 1.103 16 F CA -0.278 57.737 58.000 0.025 0.000 1.286 16 F CB 0.413 39.466 39.000 0.088 0.000 1.105 16 F HN 0.334 nan 8.300 nan 0.000 0.583 17 T N 5.033 119.640 114.554 0.088 0.000 2.939 17 T HA -0.076 4.275 4.350 0.001 0.000 0.312 17 T C 1.474 176.200 174.700 0.043 0.000 1.064 17 T CA -0.209 61.904 62.100 0.021 0.000 1.136 17 T CB 0.451 69.293 68.868 -0.044 0.000 1.035 17 T HN 0.448 nan 8.240 nan 0.000 0.538 18 E N 2.547 122.753 120.200 0.009 0.000 2.048 18 E HA -0.251 4.100 4.350 0.001 0.000 0.202 18 E C 2.207 178.762 176.600 -0.075 0.000 1.021 18 E CA 1.769 58.163 56.400 -0.010 0.000 0.825 18 E CB -0.450 29.233 29.700 -0.029 0.000 0.756 18 E HN 0.833 nan 8.360 nan 0.000 0.454 19 Q N 1.180 120.893 119.800 -0.146 0.000 2.118 19 Q HA -0.273 4.068 4.340 0.001 0.000 0.211 19 Q C 2.064 177.775 176.000 -0.482 0.000 0.998 19 Q CA 2.564 58.166 55.803 -0.335 0.000 0.872 19 Q CB -0.340 28.223 28.738 -0.292 0.000 0.925 19 Q HN 0.332 nan 8.270 nan 0.000 0.414 20 Q N -0.288 119.403 119.800 -0.182 0.000 2.170 20 Q HA -0.140 4.201 4.340 0.001 0.000 0.203 20 Q C 2.010 178.072 176.000 0.104 0.000 0.976 20 Q CA 1.558 57.367 55.803 0.010 0.000 0.858 20 Q CB 0.001 28.689 28.738 -0.084 0.000 0.907 20 Q HN 0.420 nan 8.270 nan 0.000 0.433 21 K N 0.162 120.648 120.400 0.144 0.000 2.148 21 K HA -0.156 4.165 4.320 0.001 0.000 0.204 21 K C 2.343 178.999 176.600 0.094 0.000 1.050 21 K CA 1.411 57.828 56.287 0.217 0.000 0.942 21 K CB -0.060 32.536 32.500 0.160 0.000 0.724 21 K HN 0.301 nan 8.250 nan 0.000 0.446 22 E N 0.997 121.170 120.200 -0.045 0.000 2.072 22 E HA -0.144 4.207 4.350 0.001 0.000 0.191 22 E C 1.721 178.314 176.600 -0.010 0.000 0.985 22 E CA 1.149 57.494 56.400 -0.092 0.000 0.801 22 E CB -0.815 28.751 29.700 -0.224 0.000 0.750 22 E HN 0.192 nan 8.360 nan 0.000 0.452 23 F N 1.043 121.011 119.950 0.030 0.000 2.126 23 F HA -0.103 4.425 4.527 0.001 0.000 0.299 23 F C 2.735 178.564 175.800 0.048 0.000 1.096 23 F CA 1.424 59.434 58.000 0.017 0.000 1.255 23 F CB -0.930 38.066 39.000 -0.007 0.000 0.997 23 F HN 0.336 nan 8.300 nan 0.000 0.479 24 Q N 0.306 120.278 119.800 0.285 0.000 2.077 24 Q HA -0.227 4.113 4.340 0.001 0.000 0.206 24 Q C 2.281 178.380 176.000 0.165 0.000 0.989 24 Q CA 2.252 58.198 55.803 0.239 0.000 0.853 24 Q CB -0.357 28.574 28.738 0.322 0.000 0.907 24 Q HN 0.335 nan 8.270 nan 0.000 0.418 25 A N -0.376 122.523 122.820 0.132 0.000 1.930 25 A HA -0.142 4.179 4.320 0.001 0.000 0.217 25 A C 2.215 179.856 177.584 0.095 0.000 1.175 25 A CA 1.752 53.843 52.037 0.090 0.000 0.627 25 A CB -0.857 18.181 19.000 0.064 0.000 0.815 25 A HN 0.535 nan 8.150 nan 0.000 0.443 26 T N 0.444 115.066 114.554 0.112 0.000 2.674 26 T HA -0.026 4.325 4.350 0.001 0.000 0.265 26 T C 2.274 177.062 174.700 0.147 0.000 1.039 26 T CA 1.650 63.818 62.100 0.114 0.000 1.150 26 T CB -0.535 68.400 68.868 0.112 0.000 0.864 26 T HN 0.583 nan 8.240 nan 0.000 0.427 27 A N 1.479 124.391 122.820 0.153 0.000 1.940 27 A HA -0.135 4.186 4.320 0.001 0.000 0.219 27 A C 2.298 179.996 177.584 0.190 0.000 1.176 27 A CA 1.939 54.087 52.037 0.185 0.000 0.631 27 A CB -0.582 18.503 19.000 0.141 0.000 0.814 27 A HN 0.427 nan 8.150 nan 0.000 0.446 28 R N -0.280 120.294 120.500 0.123 0.000 2.062 28 R HA -0.107 4.234 4.340 0.001 0.000 0.231 28 R C 2.329 178.669 176.300 0.067 0.000 1.136 28 R CA 1.744 57.879 56.100 0.059 0.000 0.948 28 R CB -0.296 30.014 30.300 0.017 0.000 0.845 28 R HN 0.506 nan 8.270 nan 0.000 0.430 29 K N -0.366 120.090 120.400 0.093 0.000 2.044 29 K HA -0.225 4.096 4.320 0.001 0.000 0.210 29 K C 1.961 178.649 176.600 0.147 0.000 1.049 29 K CA 1.829 58.175 56.287 0.098 0.000 0.927 29 K CB -0.325 32.233 32.500 0.098 0.000 0.713 29 K HN 0.133 nan 8.250 nan 0.000 0.443 30 F N 1.360 121.332 119.950 0.035 0.000 2.046 30 F HA -0.177 4.350 4.527 0.001 0.000 0.297 30 F C 2.137 177.965 175.800 0.046 0.000 1.123 30 F CA 1.701 59.724 58.000 0.039 0.000 1.199 30 F CB -0.985 38.037 39.000 0.037 0.000 0.972 30 F HN 0.108 nan 8.300 nan 0.000 0.474 31 A N 0.501 123.267 122.820 -0.090 0.000 1.948 31 A HA -0.226 4.095 4.320 0.001 0.000 0.220 31 A C 2.373 179.894 177.584 -0.104 0.000 1.177 31 A CA 2.097 54.033 52.037 -0.169 0.000 0.636 31 A CB -0.656 18.357 19.000 0.022 0.000 0.815 31 A HN 0.547 nan 8.150 nan 0.000 0.449 32 R N -1.520 118.959 120.500 -0.035 0.000 2.128 32 R HA 0.073 4.413 4.340 0.001 0.000 0.211 32 R C 1.868 178.165 176.300 -0.006 0.000 1.067 32 R CA 1.045 57.149 56.100 0.006 0.000 1.010 32 R CB -0.092 30.215 30.300 0.012 0.000 0.922 32 R HN 0.599 nan 8.270 nan 0.000 0.457 33 E N 0.247 120.440 120.200 -0.010 0.000 2.318 33 E HA -0.060 4.290 4.350 0.001 0.000 0.193 33 E C 1.195 177.783 176.600 -0.019 0.000 0.998 33 E CA 0.733 57.136 56.400 0.004 0.000 0.859 33 E CB 0.485 30.208 29.700 0.040 0.000 0.812 33 E HN 0.322 nan 8.360 nan 0.000 0.492 34 E N -0.578 119.561 120.200 -0.101 0.000 2.406 34 E HA 0.118 4.469 4.350 0.001 0.000 0.204 34 E C 1.899 178.377 176.600 -0.204 0.000 0.820 34 E CA 0.026 56.349 56.400 -0.129 0.000 1.136 34 E CB 0.446 30.088 29.700 -0.097 0.000 1.129 34 E HN 0.124 nan 8.360 nan 0.000 0.530 35 I N 1.383 121.744 120.570 -0.349 0.000 2.270 35 I HA -0.143 4.027 4.170 0.001 0.000 0.239 35 I C 2.459 178.523 176.117 -0.088 0.000 1.080 35 I CA 0.776 61.931 61.300 -0.241 0.000 1.383 35 I CB -0.167 37.659 38.000 -0.291 0.000 1.097 35 I HN 0.024 nan 8.210 nan 0.000 0.420 36 I N 1.453 121.983 120.570 -0.067 0.000 2.087 36 I HA -0.255 3.915 4.170 0.001 0.000 0.240 36 I C -0.387 175.724 176.117 -0.011 0.000 1.054 36 I CA 2.016 63.307 61.300 -0.015 0.000 1.311 36 I CB -1.657 36.358 38.000 0.024 0.000 1.024 36 I HN 0.146 nan 8.210 nan 0.000 0.402 37 P HA -0.162 nan 4.420 nan 0.000 0.219 37 P C 1.092 178.388 177.300 -0.007 0.000 1.144 37 P CA 1.389 64.483 63.100 -0.010 0.000 0.806 37 P CB -0.066 31.629 31.700 -0.007 0.000 0.771 38 V N -6.660 113.263 119.914 0.016 0.000 3.330 38 V HA 0.543 4.664 4.120 0.001 0.000 0.309 38 V C 1.580 177.740 176.094 0.110 0.000 1.481 38 V CA 0.487 62.809 62.300 0.037 0.000 1.068 38 V CB -0.438 31.440 31.823 0.091 0.000 0.935 38 V HN -0.056 nan 8.190 nan 0.000 0.453 39 A N 1.048 123.918 122.820 0.083 0.000 1.970 39 A HA 0.405 4.725 4.320 0.001 0.000 0.216 39 A C 2.264 179.895 177.584 0.079 0.000 1.170 39 A CA 1.702 53.801 52.037 0.105 0.000 0.645 39 A CB -0.407 18.615 19.000 0.036 0.000 0.816 39 A HN 1.073 nan 8.150 nan 0.000 0.447 40 A N -0.628 122.208 122.820 0.025 0.000 2.067 40 A HA 0.072 4.392 4.320 0.001 0.000 0.217 40 A C 1.875 179.451 177.584 -0.013 0.000 1.156 40 A CA 1.675 53.713 52.037 0.000 0.000 0.683 40 A CB -0.214 18.771 19.000 -0.024 0.000 0.808 40 A HN 0.453 nan 8.150 nan 0.000 0.455 41 E N -0.649 119.526 120.200 -0.042 0.000 2.033 41 E HA -0.105 4.246 4.350 0.001 0.000 0.189 41 E C 1.497 178.052 176.600 -0.076 0.000 0.979 41 E CA 1.281 57.617 56.400 -0.107 0.000 0.802 41 E CB -0.497 29.074 29.700 -0.216 0.000 0.763 41 E HN 0.605 nan 8.360 nan 0.000 0.449 42 Y N 0.711 121.003 120.300 -0.012 0.000 2.274 42 Y HA -0.121 4.430 4.550 0.001 0.000 0.290 42 Y C 2.086 177.986 175.900 0.000 0.000 1.145 42 Y CA 1.686 59.784 58.100 -0.003 0.000 1.203 42 Y CB -0.507 37.946 38.460 -0.011 0.000 0.984 42 Y HN 0.235 nan 8.280 nan 0.000 0.533 43 D N -0.209 120.276 120.400 0.143 0.000 2.123 43 D HA -0.135 4.506 4.640 0.001 0.000 0.200 43 D C 1.814 178.140 176.300 0.042 0.000 0.976 43 D CA 1.289 55.332 54.000 0.072 0.000 0.831 43 D CB 0.003 40.825 40.800 0.036 0.000 0.974 43 D HN 0.138 nan 8.370 nan 0.000 0.469 44 K N -1.089 119.325 120.400 0.022 0.000 2.211 44 K HA -0.049 4.271 4.320 0.001 0.000 0.203 44 K C 1.846 178.452 176.600 0.010 0.000 1.050 44 K CA 1.580 57.868 56.287 0.001 0.000 0.945 44 K CB 0.097 32.584 32.500 -0.020 0.000 0.732 44 K HN 0.345 nan 8.250 nan 0.000 0.451 45 T N -5.101 109.471 114.554 0.030 0.000 2.978 45 T HA 0.206 4.556 4.350 0.001 0.000 0.248 45 T C 1.436 176.178 174.700 0.071 0.000 1.018 45 T CA 0.430 62.552 62.100 0.036 0.000 1.026 45 T CB 0.793 69.670 68.868 0.015 0.000 1.032 45 T HN 0.227 nan 8.240 nan 0.000 0.485 46 G N 1.403 110.266 108.800 0.106 0.000 2.159 46 G HA2 -0.249 3.712 3.960 0.001 0.000 0.256 46 G HA3 -0.249 3.712 3.960 0.001 0.000 0.256 46 G C -0.168 174.836 174.900 0.173 0.000 0.977 46 G CA 0.198 45.369 45.100 0.118 0.000 0.652 46 G HN 0.726 nan 8.290 nan 0.000 0.531 47 E N -0.111 120.228 120.200 0.232 0.000 2.415 47 E HA 0.200 4.551 4.350 0.001 0.000 0.263 47 E C -0.213 176.589 176.600 0.337 0.000 0.995 47 E CA -0.619 55.963 56.400 0.303 0.000 0.915 47 E CB 0.231 30.128 29.700 0.329 0.000 0.951 47 E HN 0.270 nan 8.360 nan 0.000 0.449 48 Y N 6.743 127.097 120.300 0.091 0.000 2.436 48 Y HA 0.107 4.658 4.550 0.001 0.000 0.336 48 Y C -1.813 174.005 175.900 -0.137 0.000 1.049 48 Y CA -2.508 55.577 58.100 -0.024 0.000 1.294 48 Y CB 0.793 39.249 38.460 -0.006 0.000 1.179 48 Y HN 0.330 nan 8.280 nan 0.000 0.520 49 P HA 0.008 nan 4.420 nan 0.000 0.230 49 P C 0.638 177.600 177.300 -0.562 0.000 1.791 49 P CA 0.307 62.793 63.100 -1.023 0.000 1.020 49 P CB 0.205 31.232 31.700 -1.121 0.000 1.977 50 V N 3.118 122.861 119.914 -0.285 0.000 2.295 50 V HA -0.162 3.959 4.120 0.001 0.000 0.246 50 V C -0.254 175.801 176.094 -0.065 0.000 1.049 50 V CA 2.276 64.493 62.300 -0.139 0.000 1.024 50 V CB -2.158 29.676 31.823 0.018 0.000 0.648 50 V HN 0.340 nan 8.190 nan 0.000 0.447 51 P HA -0.158 nan 4.420 nan 0.000 0.215 51 P C 1.920 179.264 177.300 0.074 0.000 1.157 51 P CA 1.546 64.683 63.100 0.062 0.000 0.874 51 P CB -0.097 31.676 31.700 0.123 0.000 0.790 52 L N -1.573 119.682 121.223 0.054 0.000 2.083 52 L HA -0.140 4.200 4.340 0.001 0.000 0.209 52 L C 2.494 179.466 176.870 0.169 0.000 1.083 52 L CA 1.232 56.185 54.840 0.188 0.000 0.752 52 L CB -0.752 41.351 42.059 0.073 0.000 0.899 52 L HN -0.078 nan 8.230 nan 0.000 0.433 53 I N -0.358 120.206 120.570 -0.009 0.000 2.252 53 I HA -0.268 3.903 4.170 0.001 0.000 0.245 53 I C 2.824 178.956 176.117 0.026 0.000 1.102 53 I CA 1.075 62.361 61.300 -0.024 0.000 1.385 53 I CB -0.273 37.644 38.000 -0.140 0.000 1.064 53 I HN 0.232 nan 8.210 nan 0.000 0.414 54 R N 1.321 121.830 120.500 0.016 0.000 2.096 54 R HA -0.220 4.120 4.340 0.001 0.000 0.235 54 R C 2.404 178.778 176.300 0.123 0.000 1.127 54 R CA 1.581 57.714 56.100 0.055 0.000 0.968 54 R CB -0.206 30.101 30.300 0.013 0.000 0.861 54 R HN 0.074 nan 8.270 nan 0.000 0.440 55 R N 0.312 120.855 120.500 0.071 0.000 2.115 55 R HA 0.061 4.401 4.340 0.001 0.000 0.230 55 R C 1.895 178.047 176.300 -0.246 0.000 1.111 55 R CA 1.654 57.755 56.100 0.002 0.000 0.976 55 R CB -0.512 29.861 30.300 0.122 0.000 0.870 55 R HN 0.355 nan 8.270 nan 0.000 0.445 56 A N -0.927 121.699 122.820 -0.323 0.000 2.014 56 A HA -0.095 4.226 4.320 0.001 0.000 0.218 56 A C 1.963 179.459 177.584 -0.146 0.000 1.163 56 A CA 1.004 52.755 52.037 -0.477 0.000 0.652 56 A CB -0.873 17.953 19.000 -0.291 0.000 0.808 56 A HN 0.657 nan 8.150 nan 0.000 0.449 57 W N 0.577 121.774 121.300 -0.172 0.000 2.413 57 W HA -0.092 4.568 4.660 0.001 0.000 0.315 57 W C 1.907 178.369 176.519 -0.095 0.000 1.186 57 W CA 1.757 59.040 57.345 -0.103 0.000 1.326 57 W CB -0.360 29.065 29.460 -0.059 0.000 1.153 57 W HN 0.444 nan 8.180 nan 0.000 0.489 58 E N 0.081 120.383 120.200 0.169 0.000 2.196 58 E HA -0.340 4.011 4.350 0.001 0.000 0.222 58 E C 2.018 178.508 176.600 -0.184 0.000 1.072 58 E CA 2.712 59.096 56.400 -0.027 0.000 0.902 58 E CB -0.793 28.941 29.700 0.057 0.000 0.780 58 E HN 0.348 nan 8.360 nan 0.000 0.467 59 L N -0.919 120.193 121.223 -0.185 0.000 2.599 59 L HA 0.098 4.439 4.340 0.001 0.000 0.230 59 L C 1.293 178.054 176.870 -0.181 0.000 1.141 59 L CA 0.320 55.050 54.840 -0.182 0.000 0.877 59 L CB 0.126 42.044 42.059 -0.234 0.000 1.009 59 L HN 0.476 nan 8.230 nan 0.000 0.447 60 G N 0.437 109.091 108.800 -0.244 0.000 2.198 60 G HA2 -0.299 3.661 3.960 0.001 0.000 0.260 60 G HA3 -0.299 3.661 3.960 0.001 0.000 0.260 60 G C 0.547 175.333 174.900 -0.191 0.000 1.025 60 G CA 0.180 45.137 45.100 -0.237 0.000 0.769 60 G HN 0.368 nan 8.290 nan 0.000 0.507 61 L N -1.034 120.082 121.223 -0.178 0.000 2.653 61 L HA 0.564 4.905 4.340 0.001 0.000 0.232 61 L C 0.965 177.767 176.870 -0.113 0.000 1.169 61 L CA 0.151 54.901 54.840 -0.151 0.000 0.951 61 L CB 0.112 42.087 42.059 -0.140 0.000 1.181 61 L HN 0.494 nan 8.230 nan 0.000 0.460 62 M N -0.447 119.094 119.600 -0.098 0.000 2.575 62 M HA 0.332 4.812 4.480 0.001 0.000 0.284 62 M C -0.647 175.648 176.300 -0.008 0.000 1.253 62 M CA -0.468 54.821 55.300 -0.018 0.000 0.861 62 M CB 1.746 34.387 32.600 0.070 0.000 1.733 62 M HN 0.021 nan 8.290 nan 0.000 0.462 63 N N 1.097 119.822 118.700 0.042 0.000 2.708 63 N HA -0.181 4.559 4.740 0.001 0.000 0.251 63 N C 0.533 176.041 175.510 -0.002 0.000 1.017 63 N CA 1.295 54.383 53.050 0.062 0.000 0.742 63 N CB -1.573 36.989 38.487 0.126 0.000 0.943 63 N HN 0.948 nan 8.380 nan 0.000 0.539 64 T N -4.168 110.329 114.554 -0.094 0.000 3.067 64 T HA -0.044 4.307 4.350 0.001 0.000 0.261 64 T C 1.320 175.899 174.700 -0.201 0.000 1.110 64 T CA 0.694 62.676 62.100 -0.196 0.000 1.113 64 T CB -0.080 68.591 68.868 -0.328 0.000 0.917 64 T HN 0.406 nan 8.240 nan 0.000 0.499 65 H N 0.765 119.814 119.070 -0.036 0.000 2.524 65 H HA 0.279 4.835 4.556 0.001 0.000 0.282 65 H C 0.784 176.113 175.328 0.002 0.000 1.016 65 H CA 0.183 56.220 56.048 -0.019 0.000 1.270 65 H CB -0.166 29.591 29.762 -0.008 0.000 1.394 65 H HN 0.430 nan 8.280 nan 0.000 0.568 66 I N 4.512 125.151 120.570 0.115 0.000 2.668 66 I HA -0.039 4.132 4.170 0.001 0.000 0.285 66 I C -1.811 174.342 176.117 0.060 0.000 1.168 66 I CA -1.435 59.924 61.300 0.098 0.000 1.424 66 I CB 0.640 38.699 38.000 0.098 0.000 1.377 66 I HN -0.075 nan 8.210 nan 0.000 0.560 67 P HA 0.060 nan 4.420 nan 0.000 0.272 67 P C 0.167 177.483 177.300 0.027 0.000 1.223 67 P CA -0.195 62.927 63.100 0.036 0.000 0.784 67 P CB 0.684 32.404 31.700 0.034 0.000 0.923 68 E N 1.632 121.842 120.200 0.016 0.000 2.085 68 E HA -0.200 4.150 4.350 0.001 0.000 0.194 68 E C 1.326 177.934 176.600 0.013 0.000 0.994 68 E CA 1.294 57.701 56.400 0.011 0.000 0.801 68 E CB -0.376 29.328 29.700 0.007 0.000 0.743 68 E HN 0.590 nan 8.360 nan 0.000 0.453 69 N N 0.725 119.433 118.700 0.014 0.000 2.626 69 N HA -0.093 4.647 4.740 0.001 0.000 0.193 69 N C 0.734 176.255 175.510 0.018 0.000 1.213 69 N CA 0.530 53.588 53.050 0.013 0.000 0.914 69 N CB -0.255 38.238 38.487 0.010 0.000 0.994 69 N HN 0.111 nan 8.380 nan 0.000 0.447 70 C N -0.829 118.488 119.300 0.028 0.000 2.994 70 C HA 0.574 5.035 4.460 0.001 0.000 0.284 70 C C 1.618 176.634 174.990 0.044 0.000 1.404 70 C CA -0.167 58.874 59.018 0.038 0.000 1.775 70 C CB -0.707 27.066 27.740 0.054 0.000 2.458 70 C HN 0.617 nan 8.230 nan 0.000 0.593 71 G N 0.804 109.622 108.800 0.030 0.000 2.175 71 G HA2 -0.078 3.882 3.960 0.001 0.000 0.244 71 G HA3 -0.078 3.882 3.960 0.001 0.000 0.244 71 G C 0.381 175.288 174.900 0.012 0.000 0.982 71 G CA 0.087 45.201 45.100 0.024 0.000 0.641 71 G HN 0.791 nan 8.290 nan 0.000 0.527 72 G N -0.940 107.870 108.800 0.017 0.000 2.532 72 G HA2 0.611 4.572 3.960 0.001 0.000 0.291 72 G HA3 0.611 4.572 3.960 0.001 0.000 0.291 72 G C 1.061 175.949 174.900 -0.020 0.000 1.349 72 G CA -0.384 44.715 45.100 -0.003 0.000 1.038 72 G HN 0.520 nan 8.290 nan 0.000 0.518 73 L N 0.303 121.501 121.223 -0.040 0.000 2.567 73 L HA 0.217 4.558 4.340 0.001 0.000 0.225 73 L C 1.998 178.853 176.870 -0.025 0.000 1.119 73 L CA 0.507 55.325 54.840 -0.036 0.000 0.871 73 L CB -0.210 41.812 42.059 -0.061 0.000 1.036 73 L HN 0.840 nan 8.230 nan 0.000 0.459 74 G N 1.456 110.243 108.800 -0.021 0.000 2.341 74 G HA2 -0.269 3.692 3.960 0.001 0.000 0.292 74 G HA3 -0.269 3.692 3.960 0.001 0.000 0.292 74 G C 0.125 175.010 174.900 -0.026 0.000 1.021 74 G CA -0.071 45.026 45.100 -0.005 0.000 0.905 74 G HN 0.091 nan 8.290 nan 0.000 0.508 75 L N 0.004 121.172 121.223 -0.092 0.000 2.473 75 L HA 0.590 4.930 4.340 0.001 0.000 0.268 75 L C 1.593 178.395 176.870 -0.114 0.000 1.215 75 L CA 0.521 55.280 54.840 -0.134 0.000 0.823 75 L CB -0.049 41.832 42.059 -0.297 0.000 1.099 75 L HN 0.273 nan 8.230 nan 0.000 0.483 76 G N 0.224 108.985 108.800 -0.065 0.000 2.543 76 G HA2 0.371 4.331 3.960 0.001 0.000 0.290 76 G HA3 0.371 4.331 3.960 0.001 0.000 0.290 76 G C 0.645 175.552 174.900 0.012 0.000 1.310 76 G CA 0.045 45.154 45.100 0.016 0.000 1.025 76 G HN 0.635 nan 8.290 nan 0.000 0.502 77 T N -0.347 114.295 114.554 0.147 0.000 2.942 77 T HA -0.055 4.295 4.350 0.001 0.000 0.265 77 T C 1.878 176.652 174.700 0.125 0.000 1.062 77 T CA 0.836 63.049 62.100 0.187 0.000 1.139 77 T CB -0.236 68.750 68.868 0.196 0.000 0.883 77 T HN 0.336 nan 8.240 nan 0.000 0.468 78 F N 2.440 122.412 119.950 0.037 0.000 2.102 78 F HA -0.135 4.392 4.527 0.001 0.000 0.298 78 F C 2.089 177.874 175.800 -0.025 0.000 1.105 78 F CA 1.293 59.321 58.000 0.047 0.000 1.239 78 F CB -0.084 38.942 39.000 0.043 0.000 0.991 78 F HN 0.080 nan 8.300 nan 0.000 0.474 79 D N 0.375 120.884 120.400 0.181 0.000 2.097 79 D HA -0.203 4.437 4.640 0.001 0.000 0.195 79 D C 2.335 178.550 176.300 -0.142 0.000 0.989 79 D CA 1.502 55.503 54.000 0.002 0.000 0.827 79 D CB -0.671 40.043 40.800 -0.144 0.000 0.966 79 D HN 0.386 nan 8.370 nan 0.000 0.456 80 A N 0.723 123.430 122.820 -0.188 0.000 1.933 80 A HA -0.174 4.147 4.320 0.001 0.000 0.218 80 A C 2.585 180.080 177.584 -0.148 0.000 1.175 80 A CA 1.195 53.100 52.037 -0.219 0.000 0.628 80 A CB -0.856 17.976 19.000 -0.279 0.000 0.814 80 A HN 0.331 nan 8.150 nan 0.000 0.444 81 C N -0.741 118.475 119.300 -0.140 0.000 2.453 81 C HA -0.042 4.419 4.460 0.001 0.000 0.277 81 C C 2.559 177.459 174.990 -0.150 0.000 1.262 81 C CA 0.793 59.679 59.018 -0.220 0.000 1.718 81 C CB -1.473 26.122 27.740 -0.242 0.000 2.031 81 C HN 0.635 nan 8.230 nan 0.000 0.480 82 L N 0.598 121.781 121.223 -0.067 0.000 2.010 82 L HA -0.273 4.067 4.340 0.001 0.000 0.219 82 L C 2.392 179.292 176.870 0.049 0.000 1.077 82 L CA 1.958 56.826 54.840 0.047 0.000 0.773 82 L CB -0.727 41.355 42.059 0.038 0.000 0.892 82 L HN 0.415 nan 8.230 nan 0.000 0.436 83 I N -1.101 119.462 120.570 -0.012 0.000 2.353 83 I HA -0.203 3.968 4.170 0.001 0.000 0.248 83 I C 2.513 178.635 176.117 0.009 0.000 1.119 83 I CA 0.933 62.233 61.300 0.000 0.000 1.417 83 I CB -0.103 37.853 38.000 -0.074 0.000 1.078 83 I HN 0.203 nan 8.210 nan 0.000 0.421 84 S N 0.060 115.737 115.700 -0.038 0.000 2.371 84 S HA -0.173 4.297 4.470 0.001 0.000 0.224 84 S C 1.887 176.476 174.600 -0.018 0.000 1.029 84 S CA 0.878 59.058 58.200 -0.034 0.000 0.978 84 S CB -0.250 62.895 63.200 -0.091 0.000 0.833 84 S HN 0.416 nan 8.310 nan 0.000 0.466 85 E N 1.067 121.239 120.200 -0.047 0.000 2.097 85 E HA -0.217 4.134 4.350 0.001 0.000 0.196 85 E C 1.853 178.503 176.600 0.082 0.000 1.000 85 E CA 1.109 57.513 56.400 0.006 0.000 0.804 85 E CB 0.027 29.770 29.700 0.071 0.000 0.740 85 E HN 0.395 nan 8.360 nan 0.000 0.454 86 E N 0.450 120.699 120.200 0.082 0.000 2.047 86 E HA -0.160 4.190 4.350 0.001 0.000 0.191 86 E C 2.388 179.060 176.600 0.119 0.000 0.987 86 E CA 0.635 57.088 56.400 0.088 0.000 0.799 86 E CB -0.319 29.434 29.700 0.088 0.000 0.752 86 E HN 0.376 nan 8.360 nan 0.000 0.449 87 L N 0.559 121.853 121.223 0.118 0.000 2.046 87 L HA -0.167 4.174 4.340 0.001 0.000 0.208 87 L C 2.588 179.520 176.870 0.104 0.000 1.077 87 L CA 1.229 56.142 54.840 0.122 0.000 0.747 87 L CB -0.659 41.479 42.059 0.133 0.000 0.896 87 L HN 0.074 nan 8.230 nan 0.000 0.432 88 A N -0.699 122.180 122.820 0.099 0.000 1.933 88 A HA -0.291 4.030 4.320 0.001 0.000 0.218 88 A C 2.188 179.835 177.584 0.105 0.000 1.175 88 A CA 1.438 53.529 52.037 0.090 0.000 0.628 88 A CB -0.932 18.104 19.000 0.060 0.000 0.814 88 A HN 0.492 nan 8.150 nan 0.000 0.444 89 Y N 0.721 121.025 120.300 0.008 0.000 2.151 89 Y HA -0.183 4.367 4.550 0.001 0.000 0.284 89 Y C 2.389 178.288 175.900 -0.002 0.000 1.166 89 Y CA 1.656 59.760 58.100 0.006 0.000 1.163 89 Y CB -0.498 37.972 38.460 0.016 0.000 0.974 89 Y HN 0.265 nan 8.280 nan 0.000 0.511 90 G N -1.284 107.646 108.800 0.216 0.000 2.424 90 G HA2 -0.152 3.808 3.960 0.001 0.000 0.214 90 G HA3 -0.152 3.808 3.960 0.001 0.000 0.214 90 G C -0.338 174.566 174.900 0.008 0.000 1.202 90 G CA 0.885 46.038 45.100 0.089 0.000 0.793 90 G HN 0.430 nan 8.290 nan 0.000 0.534 91 C N -0.691 118.618 119.300 0.015 0.000 3.094 91 C HA 0.501 4.961 4.460 0.001 0.000 0.414 91 C C 1.512 176.523 174.990 0.035 0.000 0.993 91 C CA 0.129 59.152 59.018 0.009 0.000 1.217 91 C CB 0.752 28.488 27.740 -0.007 0.000 1.603 91 C HN 0.400 nan 8.230 nan 0.000 0.564 92 T N 2.409 116.995 114.554 0.054 0.000 2.942 92 T HA 0.057 4.407 4.350 0.001 0.000 0.265 92 T C 1.888 176.628 174.700 0.067 0.000 1.062 92 T CA 1.431 63.592 62.100 0.100 0.000 1.139 92 T CB -0.196 68.761 68.868 0.149 0.000 0.883 92 T HN 1.044 nan 8.240 nan 0.000 0.468 93 G N 1.579 110.398 108.800 0.031 0.000 2.433 93 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 93 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 93 G C 1.656 176.558 174.900 0.003 0.000 1.186 93 G CA 0.865 45.975 45.100 0.016 0.000 0.779 93 G HN 0.424 nan 8.290 nan 0.000 0.543 94 V N 0.593 120.491 119.914 -0.027 0.000 2.261 94 V HA -0.212 3.908 4.120 0.001 0.000 0.246 94 V C 2.847 178.942 176.094 0.002 0.000 1.047 94 V CA 2.158 64.423 62.300 -0.059 0.000 1.015 94 V CB -0.434 31.350 31.823 -0.066 0.000 0.642 94 V HN 0.394 nan 8.190 nan 0.000 0.446 95 Q N 0.031 119.855 119.800 0.039 0.000 2.124 95 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 95 Q C 2.211 178.250 176.000 0.065 0.000 0.977 95 Q CA 2.457 58.298 55.803 0.065 0.000 0.850 95 Q CB -0.505 28.281 28.738 0.080 0.000 0.901 95 Q HN 0.669 nan 8.270 nan 0.000 0.429 96 T N 0.970 115.570 114.554 0.077 0.000 2.759 96 T HA -0.113 4.238 4.350 0.001 0.000 0.269 96 T C 1.761 176.509 174.700 0.080 0.000 1.042 96 T CA 1.496 63.650 62.100 0.090 0.000 1.140 96 T CB -0.293 68.642 68.868 0.112 0.000 0.864 96 T HN 0.460 nan 8.240 nan 0.000 0.455 97 A N 1.672 124.533 122.820 0.069 0.000 1.872 97 A HA 0.004 4.324 4.320 0.001 0.000 0.214 97 A C 2.188 179.808 177.584 0.059 0.000 1.187 97 A CA 0.898 52.987 52.037 0.087 0.000 0.614 97 A CB -0.541 18.478 19.000 0.032 0.000 0.826 97 A HN 0.369 nan 8.150 nan 0.000 0.442 98 I N 0.302 120.892 120.570 0.033 0.000 2.118 98 I HA -0.249 3.921 4.170 0.001 0.000 0.241 98 I C 2.445 178.586 176.117 0.040 0.000 1.070 98 I CA 2.189 63.512 61.300 0.040 0.000 1.327 98 I CB -1.623 36.405 38.000 0.048 0.000 1.034 98 I HN 0.405 nan 8.210 nan 0.000 0.405 99 E N 1.310 121.532 120.200 0.036 0.000 2.072 99 E HA -0.122 4.228 4.350 0.001 0.000 0.191 99 E C 2.305 178.913 176.600 0.014 0.000 0.985 99 E CA 1.494 57.906 56.400 0.021 0.000 0.801 99 E CB -0.822 28.884 29.700 0.010 0.000 0.750 99 E HN 0.434 nan 8.360 nan 0.000 0.452 100 G N 0.781 109.597 108.800 0.026 0.000 2.597 100 G HA2 -0.423 3.537 3.960 0.001 0.000 0.222 100 G HA3 -0.423 3.537 3.960 0.001 0.000 0.222 100 G C 1.624 176.536 174.900 0.019 0.000 1.135 100 G CA 1.386 46.505 45.100 0.031 0.000 0.759 100 G HN 0.309 nan 8.290 nan 0.000 0.595 101 N N 0.601 119.310 118.700 0.015 0.000 2.137 101 N HA -0.089 4.651 4.740 0.001 0.000 0.190 101 N C 2.553 178.076 175.510 0.022 0.000 1.017 101 N CA 1.505 54.551 53.050 -0.007 0.000 0.859 101 N CB -0.312 38.187 38.487 0.021 0.000 1.002 101 N HN 0.337 nan 8.380 nan 0.000 0.428 102 S N 0.277 116.004 115.700 0.045 0.000 2.371 102 S HA 0.037 4.508 4.470 0.001 0.000 0.224 102 S C 2.024 176.634 174.600 0.016 0.000 1.029 102 S CA 0.370 58.615 58.200 0.076 0.000 0.978 102 S CB -0.228 63.051 63.200 0.131 0.000 0.833 102 S HN 0.231 nan 8.310 nan 0.000 0.466 103 L N 1.250 122.457 121.223 -0.026 0.000 2.042 103 L HA -0.125 4.216 4.340 0.001 0.000 0.210 103 L C 2.637 179.550 176.870 0.072 0.000 1.076 103 L CA 1.401 56.193 54.840 -0.081 0.000 0.749 103 L CB -0.846 41.113 42.059 -0.167 0.000 0.893 103 L HN 0.453 nan 8.230 nan 0.000 0.432 104 G N -1.632 107.239 108.800 0.120 0.000 2.402 104 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 104 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 104 G C 1.463 176.505 174.900 0.237 0.000 1.162 104 G CA 0.333 45.543 45.100 0.184 0.000 0.777 104 G HN 0.374 nan 8.290 nan 0.000 0.539 105 Q N -1.049 118.858 119.800 0.179 0.000 2.224 105 Q HA -0.005 4.335 4.340 0.001 0.000 0.203 105 Q C 2.402 178.506 176.000 0.173 0.000 0.970 105 Q CA 1.075 57.062 55.803 0.306 0.000 0.865 105 Q CB -0.157 28.717 28.738 0.227 0.000 0.922 105 Q HN 0.428 nan 8.270 nan 0.000 0.445 106 M N 0.664 120.289 119.600 0.042 0.000 2.132 106 M HA -0.055 4.425 4.480 0.001 0.000 0.263 106 M C -1.259 174.977 176.300 -0.107 0.000 1.065 106 M CA 1.449 56.705 55.300 -0.074 0.000 1.122 106 M CB -0.665 31.843 32.600 -0.154 0.000 1.365 106 M HN -0.039 nan 8.290 nan 0.000 0.411 107 P HA -0.030 nan 4.420 nan 0.000 0.221 107 P C 1.291 178.546 177.300 -0.075 0.000 1.150 107 P CA 1.094 64.049 63.100 -0.241 0.000 0.800 107 P CB -0.108 31.197 31.700 -0.658 0.000 0.787 108 I N -1.381 119.206 120.570 0.028 0.000 2.333 108 I HA -0.127 4.044 4.170 0.001 0.000 0.246 108 I C 2.273 178.412 176.117 0.037 0.000 1.106 108 I CA 0.997 62.331 61.300 0.056 0.000 1.411 108 I CB -0.964 37.095 38.000 0.099 0.000 1.082 108 I HN -0.140 nan 8.210 nan 0.000 0.420 109 I N 0.830 121.426 120.570 0.043 0.000 2.076 109 I HA -0.308 3.862 4.170 0.001 0.000 0.237 109 I C 2.542 178.652 176.117 -0.012 0.000 1.059 109 I CA 2.111 63.425 61.300 0.024 0.000 1.317 109 I CB -0.524 37.488 38.000 0.019 0.000 1.037 109 I HN 0.229 nan 8.210 nan 0.000 0.398 110 I N -0.852 119.690 120.570 -0.047 0.000 2.493 110 I HA -0.102 4.069 4.170 0.001 0.000 0.254 110 I C 2.001 178.088 176.117 -0.049 0.000 1.160 110 I CA 1.798 63.062 61.300 -0.059 0.000 1.445 110 I CB -0.277 37.667 38.000 -0.094 0.000 1.086 110 I HN 0.110 nan 8.210 nan 0.000 0.433 111 A N 0.704 123.497 122.820 -0.045 0.000 2.551 111 A HA 0.573 4.893 4.320 0.001 0.000 0.252 111 A C 1.248 178.820 177.584 -0.020 0.000 1.199 111 A CA 0.218 52.233 52.037 -0.036 0.000 0.972 111 A CB -0.445 18.526 19.000 -0.048 0.000 1.153 111 A HN 0.441 nan 8.150 nan 0.000 0.559 112 G N 1.076 109.871 108.800 -0.009 0.000 2.503 112 G HA2 0.393 4.353 3.960 0.001 0.000 0.257 112 G HA3 0.393 4.353 3.960 0.001 0.000 0.257 112 G C 0.064 174.964 174.900 0.000 0.000 1.214 112 G CA -0.006 45.093 45.100 -0.001 0.000 0.839 112 G HN 0.566 nan 8.290 nan 0.000 0.559 113 N N -0.179 118.523 118.700 0.003 0.000 2.366 113 N HA 0.096 4.837 4.740 0.001 0.000 0.277 113 N C 0.686 176.199 175.510 0.005 0.000 1.275 113 N CA -0.225 52.827 53.050 0.003 0.000 0.964 113 N CB 0.579 39.068 38.487 0.004 0.000 1.167 113 N HN 0.394 nan 8.380 nan 0.000 0.568 114 D N -1.413 118.989 120.400 0.003 0.000 2.117 114 D HA -0.115 4.526 4.640 0.001 0.000 0.198 114 D C 1.600 177.897 176.300 -0.005 0.000 0.982 114 D CA 1.265 55.266 54.000 0.001 0.000 0.828 114 D CB 0.098 40.897 40.800 -0.001 0.000 0.967 114 D HN 0.586 nan 8.370 nan 0.000 0.464 115 Q N -0.315 119.481 119.800 -0.006 0.000 2.124 115 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 115 Q C 2.226 178.214 176.000 -0.021 0.000 0.977 115 Q CA 0.986 56.778 55.803 -0.019 0.000 0.850 115 Q CB -0.047 28.684 28.738 -0.012 0.000 0.901 115 Q HN 0.453 nan 8.270 nan 0.000 0.429 116 Q N 0.691 120.498 119.800 0.011 0.000 2.020 116 Q HA -0.129 4.211 4.340 0.001 0.000 0.198 116 Q C 1.977 178.001 176.000 0.039 0.000 0.974 116 Q CA 1.167 57.001 55.803 0.053 0.000 0.829 116 Q CB 0.088 28.851 28.738 0.042 0.000 0.894 116 Q HN 0.222 nan 8.270 nan 0.000 0.433 117 K N 0.312 120.725 120.400 0.022 0.000 1.985 117 K HA -0.151 4.170 4.320 0.001 0.000 0.210 117 K C 2.347 178.959 176.600 0.020 0.000 1.047 117 K CA 1.459 57.765 56.287 0.031 0.000 0.932 117 K CB -0.113 32.404 32.500 0.029 0.000 0.716 117 K HN -0.151 nan 8.250 nan 0.000 0.439 118 K N 1.154 121.553 120.400 -0.002 0.000 2.074 118 K HA -0.220 4.100 4.320 0.001 0.000 0.209 118 K C 2.096 178.664 176.600 -0.053 0.000 1.048 118 K CA 1.931 58.210 56.287 -0.015 0.000 0.926 118 K CB -0.276 32.210 32.500 -0.022 0.000 0.713 118 K HN 0.329 nan 8.250 nan 0.000 0.444 119 K N -1.348 118.978 120.400 -0.125 0.000 2.007 119 K HA -0.093 4.227 4.320 0.001 0.000 0.206 119 K C 2.077 178.468 176.600 -0.349 0.000 1.047 119 K CA 1.826 57.935 56.287 -0.295 0.000 0.937 119 K CB -0.193 32.014 32.500 -0.487 0.000 0.718 119 K HN 0.336 nan 8.250 nan 0.000 0.438 120 Y N 0.575 120.770 120.300 -0.174 0.000 2.436 120 Y HA 0.107 4.657 4.550 0.001 0.000 0.288 120 Y C 1.865 177.768 175.900 0.005 0.000 1.112 120 Y CA 0.424 58.330 58.100 -0.324 0.000 1.220 120 Y CB 0.149 38.091 38.460 -0.864 0.000 1.073 120 Y HN -0.022 nan 8.280 nan 0.000 0.552 121 L N -1.371 119.963 121.223 0.186 0.000 2.072 121 L HA -0.048 4.293 4.340 0.001 0.000 0.205 121 L C 2.612 179.604 176.870 0.203 0.000 1.079 121 L CA 1.239 56.230 54.840 0.251 0.000 0.752 121 L CB -1.102 41.061 42.059 0.173 0.000 0.906 121 L HN 0.273 nan 8.230 nan 0.000 0.436 122 G N 1.210 110.080 108.800 0.118 0.000 2.440 122 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 122 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 122 G C 1.651 176.626 174.900 0.125 0.000 1.154 122 G CA 0.943 46.099 45.100 0.093 0.000 0.767 122 G HN 0.477 nan 8.290 nan 0.000 0.552 123 R N -0.372 120.205 120.500 0.129 0.000 2.193 123 R HA 0.032 4.372 4.340 0.001 0.000 0.229 123 R C 2.052 178.482 176.300 0.216 0.000 1.110 123 R CA 1.327 57.516 56.100 0.149 0.000 0.988 123 R CB -0.368 30.014 30.300 0.136 0.000 0.871 123 R HN 0.256 nan 8.270 nan 0.000 0.458 124 M N 0.848 120.613 119.600 0.276 0.000 2.349 124 M HA 0.014 4.494 4.480 0.001 0.000 0.266 124 M C 1.687 178.235 176.300 0.413 0.000 1.076 124 M CA 1.299 56.785 55.300 0.309 0.000 1.126 124 M CB -0.949 31.840 32.600 0.316 0.000 1.392 124 M HN 0.083 nan 8.290 nan 0.000 0.440 125 T N 1.788 116.527 114.554 0.308 0.000 2.881 125 T HA -0.141 4.209 4.350 0.001 0.000 0.270 125 T C 1.457 176.395 174.700 0.397 0.000 1.068 125 T CA 1.537 63.797 62.100 0.266 0.000 1.131 125 T CB -0.140 68.810 68.868 0.137 0.000 0.871 125 T HN 0.624 nan 8.240 nan 0.000 0.479 126 E N 0.134 120.583 120.200 0.415 0.000 2.511 126 E HA 0.280 4.630 4.350 0.001 0.000 0.209 126 E C 0.155 176.984 176.600 0.380 0.000 0.986 126 E CA -0.034 56.620 56.400 0.423 0.000 0.974 126 E CB 0.637 30.461 29.700 0.207 0.000 1.030 126 E HN 0.412 nan 8.360 nan 0.000 0.490 127 E N 1.107 121.387 120.200 0.133 0.000 2.390 127 E HA 0.236 4.587 4.350 0.001 0.000 0.277 127 E C -2.813 173.177 176.600 -1.017 0.000 0.939 127 E CA -2.588 53.483 56.400 -0.549 0.000 0.769 127 E CB 2.313 31.848 29.700 -0.275 0.000 1.251 127 E HN -0.140 nan 8.360 nan 0.000 0.450 128 P HA 0.119 nan 4.420 nan 0.000 0.237 128 P C -0.809 176.212 177.300 -0.465 0.000 1.788 128 P CA -0.264 62.102 63.100 -1.223 0.000 1.061 128 P CB -0.224 30.866 31.700 -1.017 0.000 1.967 129 L N 2.432 123.486 121.223 -0.282 0.000 2.439 129 L HA 0.394 4.735 4.340 0.001 0.000 0.261 129 L C 0.921 177.731 176.870 -0.099 0.000 1.153 129 L CA 0.133 54.896 54.840 -0.128 0.000 0.808 129 L CB 0.033 42.073 42.059 -0.032 0.000 1.126 129 L HN 0.200 nan 8.230 nan 0.000 0.460 130 M N 1.780 121.316 119.600 -0.107 0.000 2.578 130 M HA 0.538 5.018 4.480 0.001 0.000 0.321 130 M C -0.259 175.864 176.300 -0.295 0.000 1.182 130 M CA -0.537 54.689 55.300 -0.123 0.000 0.965 130 M CB 1.436 34.015 32.600 -0.034 0.000 1.694 130 M HN 0.779 nan 8.290 nan 0.000 0.461 131 C N -0.469 118.603 119.300 -0.379 0.000 3.154 131 C HA 1.069 5.530 4.460 0.001 0.000 0.312 131 C C -0.601 174.223 174.990 -0.276 0.000 1.349 131 C CA -0.870 57.755 59.018 -0.655 0.000 1.518 131 C CB 1.385 28.196 27.740 -1.549 0.000 1.934 131 C HN 1.099 nan 8.230 nan 0.000 0.462 132 A N 0.054 122.812 122.820 -0.104 0.000 2.515 132 A HA 0.714 5.035 4.320 0.001 0.000 0.298 132 A C -1.739 176.043 177.584 0.330 0.000 1.059 132 A CA -0.387 51.760 52.037 0.183 0.000 0.698 132 A CB 1.034 20.223 19.000 0.316 0.000 1.289 132 A HN 1.357 nan 8.150 nan 0.000 0.404 133 Y N 1.273 121.692 120.300 0.199 0.000 2.504 133 Y HA 0.400 4.951 4.550 0.001 0.000 0.351 133 Y C -0.208 175.844 175.900 0.254 0.000 0.988 133 Y CA -0.325 57.949 58.100 0.291 0.000 1.239 133 Y CB 0.642 39.221 38.460 0.198 0.000 1.128 133 Y HN 0.609 nan 8.280 nan 0.000 0.525 134 C N 7.209 126.535 119.300 0.043 0.000 2.136 134 C HA 0.355 4.815 4.460 0.001 0.000 0.381 134 C C 1.017 175.913 174.990 -0.156 0.000 1.039 134 C CA -0.413 58.568 59.018 -0.062 0.000 1.491 134 C CB -1.558 26.104 27.740 -0.129 0.000 1.663 134 C HN 0.939 nan 8.230 nan 0.000 0.470 135 V N 1.411 121.292 119.914 -0.054 0.000 3.054 135 V HA 0.094 4.215 4.120 0.001 0.000 0.227 135 V C 1.310 177.439 176.094 0.058 0.000 1.252 135 V CA 0.669 62.946 62.300 -0.038 0.000 1.279 135 V CB -0.602 31.227 31.823 0.010 0.000 1.118 135 V HN 0.591 nan 8.190 nan 0.000 0.504 136 T N 2.128 116.769 114.554 0.144 0.000 2.932 136 T HA 0.241 4.592 4.350 0.001 0.000 0.312 136 T C -0.196 174.580 174.700 0.127 0.000 1.071 136 T CA 0.634 62.837 62.100 0.172 0.000 1.128 136 T CB 0.348 69.375 68.868 0.265 0.000 0.984 136 T HN 0.409 nan 8.240 nan 0.000 0.549 137 E N 2.580 122.854 120.200 0.123 0.000 2.392 137 E HA 0.256 4.607 4.350 0.001 0.000 0.269 137 E C -1.837 174.815 176.600 0.086 0.000 0.924 137 E CA -2.253 54.192 56.400 0.076 0.000 0.784 137 E CB 1.655 31.397 29.700 0.070 0.000 1.292 137 E HN 0.205 nan 8.360 nan 0.000 0.447 138 P HA -0.177 nan 4.420 nan 0.000 0.217 138 P C 0.942 178.296 177.300 0.089 0.000 1.151 138 P CA 1.454 64.579 63.100 0.041 0.000 0.849 138 P CB 0.188 31.887 31.700 -0.003 0.000 0.787 139 G N -2.407 106.441 108.800 0.079 0.000 2.887 139 G HA2 0.405 4.366 3.960 0.001 0.000 0.211 139 G HA3 0.405 4.366 3.960 0.001 0.000 0.211 139 G C 0.179 175.135 174.900 0.094 0.000 1.152 139 G CA 0.578 45.727 45.100 0.081 0.000 0.769 139 G HN 0.468 nan 8.290 nan 0.000 0.541 140 A N -1.001 121.884 122.820 0.108 0.000 2.459 140 A HA 0.725 5.045 4.320 0.001 0.000 0.296 140 A C 0.408 178.070 177.584 0.129 0.000 1.039 140 A CA 0.291 52.395 52.037 0.111 0.000 0.698 140 A CB 1.405 20.469 19.000 0.106 0.000 1.261 140 A HN 0.496 nan 8.150 nan 0.000 0.405 141 G N 0.028 108.903 108.800 0.125 0.000 2.529 141 G HA2 0.252 4.212 3.960 0.001 0.000 0.193 141 G HA3 0.252 4.212 3.960 0.001 0.000 0.193 141 G C 1.338 176.304 174.900 0.111 0.000 1.230 141 G CA 1.146 46.325 45.100 0.132 0.000 0.668 141 G HN 0.715 nan 8.290 nan 0.000 0.665 142 S N 0.976 116.729 115.700 0.087 0.000 2.353 142 S HA -0.088 4.383 4.470 0.001 0.000 0.222 142 S C 1.078 175.740 174.600 0.104 0.000 1.035 142 S CA 1.292 59.540 58.200 0.080 0.000 1.025 142 S CB -0.254 62.983 63.200 0.061 0.000 0.902 142 S HN 0.376 nan 8.310 nan 0.000 0.440 143 D N 1.814 122.277 120.400 0.104 0.000 2.508 143 D HA 0.222 4.863 4.640 0.001 0.000 0.224 143 D C 0.956 177.332 176.300 0.126 0.000 1.171 143 D CA -0.122 53.949 54.000 0.119 0.000 1.006 143 D CB 0.101 40.962 40.800 0.103 0.000 1.073 143 D HN -0.056 nan 8.370 nan 0.000 0.513 144 V N 3.355 123.356 119.914 0.144 0.000 2.282 144 V HA -0.315 3.805 4.120 0.001 0.000 0.249 144 V C 2.446 178.568 176.094 0.048 0.000 1.057 144 V CA 2.153 64.513 62.300 0.099 0.000 1.032 144 V CB -0.834 31.037 31.823 0.079 0.000 0.645 144 V HN 0.658 nan 8.190 nan 0.000 0.447 145 A N 0.216 123.129 122.820 0.156 0.000 2.272 145 A HA 0.007 4.327 4.320 0.001 0.000 0.213 145 A C 2.037 179.774 177.584 0.255 0.000 1.183 145 A CA 1.392 53.498 52.037 0.116 0.000 0.719 145 A CB -0.810 18.237 19.000 0.079 0.000 0.771 145 A HN 0.611 nan 8.150 nan 0.000 0.484 146 G N -0.160 108.744 108.800 0.173 0.000 3.088 146 G HA2 0.364 4.324 3.960 0.001 0.000 0.217 146 G HA3 0.364 4.324 3.960 0.001 0.000 0.217 146 G C 0.582 175.590 174.900 0.180 0.000 1.159 146 G CA 0.206 45.409 45.100 0.171 0.000 0.760 146 G HN 0.696 nan 8.290 nan 0.000 0.550 147 I N -2.043 118.643 120.570 0.194 0.000 2.634 147 I HA 0.358 4.528 4.170 0.001 0.000 0.284 147 I C 0.712 176.978 176.117 0.249 0.000 1.124 147 I CA -0.362 61.047 61.300 0.181 0.000 1.417 147 I CB 1.048 39.115 38.000 0.113 0.000 1.396 147 I HN -0.250 nan 8.210 nan 0.000 0.571 148 K N 2.766 123.258 120.400 0.152 0.000 2.402 148 K HA 0.181 4.501 4.320 0.001 0.000 0.204 148 K C 0.224 176.870 176.600 0.076 0.000 1.056 148 K CA -0.051 56.304 56.287 0.112 0.000 1.069 148 K CB -0.150 32.393 32.500 0.072 0.000 0.888 148 K HN 0.713 nan 8.250 nan 0.000 0.546 149 T N 3.306 117.900 114.554 0.067 0.000 2.800 149 T HA -0.053 4.298 4.350 0.001 0.000 0.283 149 T C 0.318 175.023 174.700 0.007 0.000 0.999 149 T CA 0.873 62.983 62.100 0.017 0.000 1.176 149 T CB 0.429 69.272 68.868 -0.041 0.000 0.973 149 T HN -0.020 nan 8.240 nan 0.000 0.519 150 K N 2.082 122.475 120.400 -0.011 0.000 2.205 150 K HA 0.541 4.861 4.320 0.001 0.000 0.279 150 K C -0.320 176.256 176.600 -0.039 0.000 1.027 150 K CA -0.399 55.881 56.287 -0.010 0.000 0.932 150 K CB 1.254 33.750 32.500 -0.007 0.000 1.032 150 K HN 0.664 nan 8.250 nan 0.000 0.466 151 A N 2.359 125.178 122.820 -0.001 0.000 2.375 151 A HA 0.256 4.577 4.320 0.001 0.000 0.291 151 A C -0.773 176.881 177.584 0.117 0.000 1.160 151 A CA -0.789 51.254 52.037 0.010 0.000 0.747 151 A CB 0.763 19.763 19.000 -0.000 0.000 1.170 151 A HN 0.579 nan 8.150 nan 0.000 0.458 152 E N 0.576 120.827 120.200 0.086 0.000 2.151 152 E HA 0.683 5.033 4.350 0.001 0.000 0.275 152 E C -0.066 176.552 176.600 0.029 0.000 0.936 152 E CA -0.438 56.005 56.400 0.073 0.000 0.777 152 E CB 0.997 30.704 29.700 0.011 0.000 1.108 152 E HN 1.168 nan 8.360 nan 0.000 0.401 153 K N 0.728 121.098 120.400 -0.050 0.000 2.363 153 K HA 0.319 4.640 4.320 0.001 0.000 0.289 153 K C -0.012 176.440 176.600 -0.247 0.000 1.063 153 K CA -0.688 55.343 56.287 -0.427 0.000 0.967 153 K CB 0.046 32.260 32.500 -0.476 0.000 0.987 153 K HN 0.368 nan 8.250 nan 0.000 0.473 154 K N 1.674 121.935 120.400 -0.231 0.000 2.646 154 K HA 0.671 4.992 4.320 0.001 0.000 0.210 154 K C 0.537 177.064 176.600 -0.122 0.000 1.020 154 K CA -0.378 55.828 56.287 -0.133 0.000 1.040 154 K CB 0.260 32.709 32.500 -0.085 0.000 1.253 154 K HN 1.942 nan 8.250 nan 0.000 0.532 155 G N 0.337 109.066 108.800 -0.118 0.000 2.418 155 G HA2 -0.115 3.845 3.960 0.001 0.000 0.206 155 G HA3 -0.115 3.845 3.960 0.001 0.000 0.206 155 G C 0.091 174.925 174.900 -0.111 0.000 1.202 155 G CA 0.059 45.104 45.100 -0.091 0.000 1.061 155 G HN 0.704 nan 8.290 nan 0.000 0.563 156 D N 1.084 121.440 120.400 -0.074 0.000 2.690 156 D HA 0.539 5.179 4.640 0.001 0.000 0.236 156 D C 0.600 176.871 176.300 -0.049 0.000 1.218 156 D CA 1.359 55.325 54.000 -0.058 0.000 0.829 156 D CB -0.288 40.504 40.800 -0.014 0.000 1.009 156 D HN 0.650 nan 8.370 nan 0.000 0.482 157 E N -1.541 118.586 120.200 -0.121 0.000 2.445 157 E HA 0.643 4.994 4.350 0.001 0.000 0.273 157 E C -1.392 175.046 176.600 -0.271 0.000 0.961 157 E CA -0.830 55.527 56.400 -0.071 0.000 0.807 157 E CB 2.019 31.701 29.700 -0.030 0.000 1.362 157 E HN 0.336 nan 8.360 nan 0.000 0.453 158 Y N 0.186 120.457 120.300 -0.049 0.000 2.485 158 Y HA 0.415 4.965 4.550 0.000 0.000 0.345 158 Y C -0.292 175.499 175.900 -0.181 0.000 0.998 158 Y CA -1.049 56.977 58.100 -0.122 0.000 1.059 158 Y CB 1.399 39.722 38.460 -0.229 0.000 1.234 158 Y HN 0.239 nan 8.280 nan 0.000 0.461 159 I N 4.765 125.323 120.570 -0.020 0.000 2.382 159 I HA 0.283 4.454 4.170 0.001 0.000 0.286 159 I C -0.850 175.212 176.117 -0.092 0.000 1.002 159 I CA -0.852 60.415 61.300 -0.056 0.000 1.135 159 I CB 1.050 39.029 38.000 -0.034 0.000 1.288 159 I HN 0.436 nan 8.210 nan 0.000 0.448 160 I N 5.764 126.255 120.570 -0.133 0.000 2.336 160 I HA 0.332 4.503 4.170 0.001 0.000 0.292 160 I C -0.142 175.941 176.117 -0.056 0.000 0.991 160 I CA -0.420 60.770 61.300 -0.184 0.000 1.227 160 I CB 0.847 38.634 38.000 -0.355 0.000 1.366 160 I HN 0.522 nan 8.210 nan 0.000 0.466 161 N N 3.762 122.436 118.700 -0.042 0.000 2.410 161 N HA 0.791 5.531 4.740 0.001 0.000 0.287 161 N C -0.347 175.178 175.510 0.025 0.000 1.044 161 N CA -0.381 52.681 53.050 0.020 0.000 0.881 161 N CB 2.417 40.911 38.487 0.011 0.000 1.405 161 N HN 0.908 nan 8.380 nan 0.000 0.490 162 G N 0.658 109.510 108.800 0.086 0.000 2.325 162 G HA2 0.349 4.310 3.960 0.001 0.000 0.297 162 G HA3 0.349 4.310 3.960 0.001 0.000 0.297 162 G C -2.203 172.795 174.900 0.163 0.000 1.448 162 G CA -0.775 44.378 45.100 0.088 0.000 0.838 162 G HN 0.519 nan 8.290 nan 0.000 0.579 163 Q N -0.011 119.851 119.800 0.102 0.000 2.356 163 Q HA 0.765 5.106 4.340 0.001 0.000 0.270 163 Q C -1.041 174.995 176.000 0.059 0.000 1.058 163 Q CA -0.794 55.049 55.803 0.066 0.000 0.802 163 Q CB 2.020 30.757 28.738 -0.001 0.000 1.303 163 Q HN 0.326 nan 8.270 nan 0.000 0.444 164 K N 2.934 123.357 120.400 0.038 0.000 2.318 164 K HA 0.590 4.910 4.320 0.001 0.000 0.249 164 K C -1.182 175.369 176.600 -0.081 0.000 0.942 164 K CA -0.929 55.369 56.287 0.018 0.000 0.808 164 K CB 1.902 34.453 32.500 0.085 0.000 1.189 164 K HN 0.757 nan 8.250 nan 0.000 0.428 165 M N 0.592 120.148 119.600 -0.075 0.000 2.530 165 M HA 0.296 4.776 4.480 0.001 0.000 0.307 165 M C -1.304 174.961 176.300 -0.058 0.000 1.161 165 M CA -0.590 54.555 55.300 -0.258 0.000 0.903 165 M CB 0.884 33.265 32.600 -0.365 0.000 1.711 165 M HN 0.643 nan 8.290 nan 0.000 0.451 166 W N 3.570 124.880 121.300 0.016 0.000 5.361 166 W HA -0.188 4.472 4.660 0.000 0.000 0.385 166 W C -0.465 176.085 176.519 0.050 0.000 1.458 166 W CA -0.379 56.982 57.345 0.027 0.000 0.922 166 W CB -1.793 27.689 29.460 0.036 0.000 2.606 166 W HN 0.345 nan 8.180 nan 0.000 1.450 167 I N 1.379 122.043 120.570 0.157 0.000 2.260 167 I HA 0.049 4.219 4.170 0.001 0.000 0.297 167 I C 1.288 177.485 176.117 0.133 0.000 1.143 167 I CA -0.128 61.252 61.300 0.133 0.000 1.271 167 I CB -0.795 37.221 38.000 0.026 0.000 1.461 167 I HN -0.112 nan 8.210 nan 0.000 0.530 168 T N 7.382 122.039 114.554 0.173 0.000 2.891 168 T HA -0.070 4.281 4.350 0.001 0.000 0.296 168 T C 1.127 175.902 174.700 0.126 0.000 1.025 168 T CA 0.446 62.636 62.100 0.150 0.000 1.149 168 T CB -0.101 68.866 68.868 0.164 0.000 1.007 168 T HN 0.584 nan 8.240 nan 0.000 0.528 169 N N 1.007 119.762 118.700 0.090 0.000 2.815 169 N HA -0.186 4.555 4.740 0.001 0.000 0.247 169 N C 1.424 176.970 175.510 0.059 0.000 1.030 169 N CA 1.260 54.339 53.050 0.049 0.000 0.881 169 N CB -1.488 37.049 38.487 0.084 0.000 1.134 169 N HN 0.843 nan 8.380 nan 0.000 0.582 170 G N -0.094 108.754 108.800 0.079 0.000 2.450 170 G HA2 -0.069 3.892 3.960 0.001 0.000 0.220 170 G HA3 -0.069 3.892 3.960 0.001 0.000 0.220 170 G C 1.153 176.126 174.900 0.123 0.000 1.130 170 G CA 1.197 46.372 45.100 0.124 0.000 0.760 170 G HN 0.537 nan 8.290 nan 0.000 0.557 171 G N -0.725 108.072 108.800 -0.005 0.000 3.805 171 G HA2 0.428 4.388 3.960 0.001 0.000 0.290 171 G HA3 0.428 4.388 3.960 0.001 0.000 0.290 171 G C 0.777 175.614 174.900 -0.104 0.000 1.077 171 G CA -0.250 44.825 45.100 -0.041 0.000 0.852 171 G HN 0.247 nan 8.290 nan 0.000 0.531 172 K N 0.043 120.382 120.400 -0.101 0.000 2.562 172 K HA 0.330 4.651 4.320 0.001 0.000 0.201 172 K C 0.211 176.760 176.600 -0.085 0.000 1.131 172 K CA -0.209 55.997 56.287 -0.134 0.000 1.059 172 K CB 1.724 34.064 32.500 -0.266 0.000 0.913 172 K HN 0.205 nan 8.250 nan 0.000 0.563 173 A N 1.218 123.976 122.820 -0.102 0.000 2.304 173 A HA 0.334 4.654 4.320 0.001 0.000 0.323 173 A C 0.871 178.288 177.584 -0.278 0.000 1.195 173 A CA -0.561 51.350 52.037 -0.208 0.000 0.826 173 A CB 0.744 19.610 19.000 -0.223 0.000 1.184 173 A HN 0.168 nan 8.150 nan 0.000 0.496 174 N N 1.779 120.338 118.700 -0.234 0.000 2.142 174 N HA -0.037 4.703 4.740 0.001 0.000 0.186 174 N C 0.027 175.529 175.510 -0.013 0.000 1.023 174 N CA 1.445 54.450 53.050 -0.075 0.000 0.852 174 N CB 0.017 38.553 38.487 0.082 0.000 0.998 174 N HN 0.814 nan 8.380 nan 0.000 0.424 175 W N -1.082 120.067 121.300 -0.253 0.000 3.018 175 W HA 0.405 5.065 4.660 0.001 0.000 0.352 175 W C -1.843 174.449 176.519 -0.380 0.000 1.230 175 W CA -0.846 56.299 57.345 -0.333 0.000 1.162 175 W CB 0.168 29.525 29.460 -0.172 0.000 1.483 175 W HN -0.260 nan 8.180 nan 0.000 0.584 176 Y N 0.978 121.515 120.300 0.395 0.000 2.462 176 Y HA 0.455 5.005 4.550 0.001 0.000 0.346 176 Y C -0.496 175.646 175.900 0.403 0.000 0.976 176 Y CA -1.344 56.919 58.100 0.271 0.000 1.044 176 Y CB 2.512 41.084 38.460 0.186 0.000 1.230 176 Y HN 0.265 nan 8.280 nan 0.000 0.455 177 F N 4.986 125.178 119.950 0.403 0.000 2.445 177 F HA 0.533 5.060 4.527 0.001 0.000 0.359 177 F C -1.180 174.651 175.800 0.051 0.000 1.101 177 F CA -0.699 57.434 58.000 0.222 0.000 1.177 177 F CB 0.288 39.387 39.000 0.165 0.000 1.110 177 F HN 0.432 nan 8.300 nan 0.000 0.522 178 L N 8.096 128.774 121.223 -0.908 0.000 2.362 178 L HA 0.523 4.863 4.340 0.001 0.000 0.275 178 L C -1.898 174.428 176.870 -0.906 0.000 0.998 178 L CA -0.721 53.680 54.840 -0.733 0.000 0.820 178 L CB 1.524 43.327 42.059 -0.427 0.000 1.270 178 L HN 0.711 nan 8.230 nan 0.000 0.415 179 L N 5.220 126.063 121.223 -0.633 0.000 2.296 179 L HA 0.848 5.188 4.340 0.001 0.000 0.286 179 L C -0.596 176.215 176.870 -0.098 0.000 1.023 179 L CA -0.235 54.405 54.840 -0.333 0.000 0.812 179 L CB 1.477 43.416 42.059 -0.198 0.000 1.223 179 L HN 0.903 nan 8.230 nan 0.000 0.421 180 A N 5.570 128.436 122.820 0.078 0.000 2.515 180 A HA 0.578 4.898 4.320 0.001 0.000 0.296 180 A C -0.895 176.868 177.584 0.298 0.000 1.094 180 A CA -0.800 51.328 52.037 0.152 0.000 0.718 180 A CB 1.686 20.719 19.000 0.055 0.000 1.307 180 A HN 0.764 nan 8.150 nan 0.000 0.408 181 R N 1.192 121.814 120.500 0.203 0.000 2.242 181 R HA 0.314 4.655 4.340 0.001 0.000 0.334 181 R C 0.193 176.478 176.300 -0.026 0.000 1.071 181 R CA 0.315 56.415 56.100 0.001 0.000 0.922 181 R CB 0.484 30.756 30.300 -0.047 0.000 1.023 181 R HN 0.814 nan 8.270 nan 0.000 0.458 182 S N 1.878 117.544 115.700 -0.056 0.000 2.458 182 S HA -0.028 4.442 4.470 0.001 0.000 0.223 182 S C 0.409 174.997 174.600 -0.019 0.000 1.019 182 S CA 0.200 58.414 58.200 0.023 0.000 0.937 182 S CB 0.318 63.545 63.200 0.044 0.000 0.788 182 S HN 0.579 nan 8.310 nan 0.000 0.511 183 D N 2.107 122.441 120.400 -0.109 0.000 2.349 183 D HA 0.262 4.903 4.640 0.001 0.000 0.232 183 D C -1.775 174.464 176.300 -0.102 0.000 1.071 183 D CA -2.104 51.838 54.000 -0.097 0.000 0.832 183 D CB 1.985 42.711 40.800 -0.125 0.000 1.086 183 D HN -0.015 nan 8.370 nan 0.000 0.504 184 P HA -0.087 nan 4.420 nan 0.000 0.216 184 P C 0.352 177.621 177.300 -0.052 0.000 1.153 184 P CA 0.278 63.349 63.100 -0.048 0.000 0.844 184 P CB 0.165 31.848 31.700 -0.028 0.000 0.787 185 D N 1.267 121.637 120.400 -0.050 0.000 2.570 185 D HA -0.063 4.577 4.640 0.001 0.000 0.243 185 D C -1.448 174.817 176.300 -0.058 0.000 1.171 185 D CA -1.087 52.886 54.000 -0.045 0.000 0.879 185 D CB 0.591 41.366 40.800 -0.042 0.000 1.143 185 D HN 0.066 nan 8.370 nan 0.000 0.511 186 P HA -0.081 nan 4.420 nan 0.000 0.221 186 P C 1.104 178.379 177.300 -0.042 0.000 1.150 186 P CA 1.750 64.825 63.100 -0.042 0.000 0.800 186 P CB -0.006 31.682 31.700 -0.020 0.000 0.787 187 K N 0.232 120.611 120.400 -0.036 0.000 2.362 187 K HA 0.171 4.492 4.320 0.001 0.000 0.200 187 K C 1.349 177.922 176.600 -0.046 0.000 1.046 187 K CA 0.987 57.255 56.287 -0.032 0.000 0.952 187 K CB -1.584 30.902 32.500 -0.024 0.000 0.753 187 K HN 0.316 nan 8.250 nan 0.000 0.466 188 A N 2.759 125.540 122.820 -0.064 0.000 2.563 188 A HA 0.378 4.698 4.320 0.001 0.000 0.256 188 A C -2.034 175.491 177.584 -0.097 0.000 1.056 188 A CA -0.820 51.166 52.037 -0.085 0.000 0.775 188 A CB -0.565 18.366 19.000 -0.116 0.000 0.973 188 A HN 0.393 nan 8.150 nan 0.000 0.516 189 P HA 0.150 nan 4.420 nan 0.000 0.271 189 P C 1.059 178.306 177.300 -0.089 0.000 1.238 189 P CA 0.545 63.600 63.100 -0.075 0.000 0.794 189 P CB 0.558 32.222 31.700 -0.060 0.000 0.959 190 A N 2.022 124.771 122.820 -0.118 0.000 1.969 190 A HA -0.195 4.125 4.320 0.001 0.000 0.218 190 A C 1.670 179.220 177.584 -0.056 0.000 1.169 190 A CA 1.797 53.754 52.037 -0.133 0.000 0.635 190 A CB -1.416 17.079 19.000 -0.842 0.000 0.810 190 A HN 0.723 nan 8.150 nan 0.000 0.445 191 N N -0.596 118.057 118.700 -0.079 0.000 2.520 191 N HA -0.011 4.729 4.740 0.001 0.000 0.185 191 N C 0.930 176.471 175.510 0.051 0.000 1.068 191 N CA 1.897 54.969 53.050 0.038 0.000 0.911 191 N CB -0.429 38.072 38.487 0.023 0.000 0.961 191 N HN 0.481 nan 8.380 nan 0.000 0.446 192 K N -0.705 119.701 120.400 0.010 0.000 2.474 192 K HA 0.611 4.932 4.320 0.001 0.000 0.204 192 K C 1.847 178.406 176.600 -0.070 0.000 1.220 192 K CA 0.370 56.648 56.287 -0.016 0.000 0.966 192 K CB -0.345 32.133 32.500 -0.036 0.000 1.049 192 K HN 0.329 nan 8.250 nan 0.000 0.554 193 A N -0.109 122.608 122.820 -0.170 0.000 2.123 193 A HA 0.536 4.856 4.320 0.001 0.000 0.214 193 A C 0.196 177.407 177.584 -0.623 0.000 1.152 193 A CA 0.435 52.179 52.037 -0.489 0.000 0.728 193 A CB -0.181 18.322 19.000 -0.829 0.000 0.814 193 A HN 0.366 nan 8.150 nan 0.000 0.464 194 F N -1.329 118.641 119.950 0.032 0.000 2.563 194 F HA 0.571 5.099 4.527 0.001 0.000 0.316 194 F C 0.068 175.857 175.800 -0.018 0.000 1.076 194 F CA -0.525 57.500 58.000 0.042 0.000 0.921 194 F CB 2.265 41.334 39.000 0.115 0.000 1.209 194 F HN -0.271 nan 8.300 nan 0.000 0.462 195 T N 0.916 115.532 114.554 0.104 0.000 2.886 195 T HA 0.631 4.982 4.350 0.001 0.000 0.292 195 T C -0.242 174.222 174.700 -0.393 0.000 1.012 195 T CA -0.931 61.041 62.100 -0.213 0.000 0.982 195 T CB 1.799 70.417 68.868 -0.416 0.000 1.018 195 T HN 0.865 nan 8.240 nan 0.000 0.451 196 G N 1.650 110.147 108.800 -0.506 0.000 2.343 196 G HA2 0.663 4.624 3.960 0.001 0.000 0.319 196 G HA3 0.663 4.624 3.960 0.001 0.000 0.319 196 G C -1.150 173.299 174.900 -0.751 0.000 1.126 196 G CA -0.412 44.401 45.100 -0.478 0.000 0.889 196 G HN 0.511 nan 8.290 nan 0.000 0.457 197 F N 0.491 120.193 119.950 -0.414 0.000 2.556 197 F HA 0.545 5.073 4.527 0.001 0.000 0.327 197 F C 0.354 176.018 175.800 -0.225 0.000 1.059 197 F CA -0.906 56.920 58.000 -0.289 0.000 0.953 197 F CB 2.215 41.038 39.000 -0.295 0.000 1.227 197 F HN 0.192 nan 8.300 nan 0.000 0.478 198 I N 2.618 123.195 120.570 0.013 0.000 2.315 198 I HA 0.428 4.598 4.170 0.001 0.000 0.291 198 I C -0.934 175.131 176.117 -0.087 0.000 1.006 198 I CA -0.530 60.691 61.300 -0.132 0.000 1.265 198 I CB 1.071 38.779 38.000 -0.487 0.000 1.387 198 I HN 0.170 nan 8.210 nan 0.000 0.475 199 V N 5.835 125.764 119.914 0.026 0.000 2.531 199 V HA 0.301 4.422 4.120 0.001 0.000 0.301 199 V C -0.139 176.039 176.094 0.141 0.000 1.034 199 V CA -0.865 61.495 62.300 0.100 0.000 0.865 199 V CB 1.806 33.740 31.823 0.186 0.000 0.995 199 V HN 0.649 nan 8.190 nan 0.000 0.424 200 E N 2.242 122.513 120.200 0.120 0.000 2.313 200 E HA 0.423 4.773 4.350 0.001 0.000 0.276 200 E C 0.997 177.652 176.600 0.092 0.000 1.031 200 E CA 0.141 56.622 56.400 0.135 0.000 0.857 200 E CB 1.777 31.579 29.700 0.170 0.000 1.040 200 E HN 0.825 nan 8.360 nan 0.000 0.408 201 A N 3.709 126.497 122.820 -0.054 0.000 1.978 201 A HA -0.202 4.119 4.320 0.001 0.000 0.220 201 A C 1.465 179.081 177.584 0.054 0.000 1.170 201 A CA 1.828 53.815 52.037 -0.083 0.000 0.636 201 A CB -0.316 18.505 19.000 -0.297 0.000 0.810 201 A HN 0.724 nan 8.150 nan 0.000 0.448 202 D N -0.534 119.892 120.400 0.044 0.000 2.324 202 D HA 0.019 4.659 4.640 0.001 0.000 0.235 202 D C 0.005 176.339 176.300 0.056 0.000 1.095 202 D CA 0.405 54.431 54.000 0.043 0.000 0.871 202 D CB -1.247 39.573 40.800 0.034 0.000 0.906 202 D HN 0.169 nan 8.370 nan 0.000 0.522 203 T N 2.777 117.380 114.554 0.082 0.000 2.902 203 T HA 0.158 4.509 4.350 0.001 0.000 0.301 203 T C -2.275 172.461 174.700 0.060 0.000 1.012 203 T CA -0.762 61.386 62.100 0.080 0.000 1.151 203 T CB 0.797 69.733 68.868 0.113 0.000 0.946 203 T HN 0.097 nan 8.240 nan 0.000 0.542 204 P HA 0.215 nan 4.420 nan 0.000 0.266 204 P C 1.126 178.446 177.300 0.033 0.000 1.193 204 P CA 0.769 63.885 63.100 0.027 0.000 0.770 204 P CB 0.268 31.981 31.700 0.021 0.000 0.836 205 G N 1.804 110.613 108.800 0.015 0.000 2.254 205 G HA2 -0.210 3.750 3.960 0.001 0.000 0.225 205 G HA3 -0.210 3.750 3.960 0.001 0.000 0.225 205 G C 0.109 174.996 174.900 -0.021 0.000 1.003 205 G CA -0.353 44.755 45.100 0.014 0.000 0.622 205 G HN 0.493 nan 8.290 nan 0.000 0.507 206 I N 1.678 122.225 120.570 -0.039 0.000 2.352 206 I HA 0.418 4.588 4.170 0.001 0.000 0.290 206 I C 0.143 176.156 176.117 -0.173 0.000 1.036 206 I CA -0.076 61.119 61.300 -0.176 0.000 1.336 206 I CB 1.330 39.278 38.000 -0.086 0.000 1.407 206 I HN 0.132 nan 8.210 nan 0.000 0.497 207 Q N 6.541 126.191 119.800 -0.251 0.000 2.339 207 Q HA 0.523 4.864 4.340 0.001 0.000 0.268 207 Q C -0.823 175.055 176.000 -0.203 0.000 1.027 207 Q CA -0.416 55.282 55.803 -0.174 0.000 0.759 207 Q CB 2.667 31.325 28.738 -0.134 0.000 1.244 207 Q HN 0.571 nan 8.270 nan 0.000 0.464 208 I N 1.887 122.371 120.570 -0.143 0.000 2.529 208 I HA 0.259 4.429 4.170 0.001 0.000 0.284 208 I C 0.990 177.036 176.117 -0.118 0.000 1.082 208 I CA -0.044 61.178 61.300 -0.130 0.000 1.406 208 I CB 0.908 38.866 38.000 -0.069 0.000 1.405 208 I HN 0.657 nan 8.210 nan 0.000 0.548 209 G N 4.837 113.559 108.800 -0.131 0.000 2.543 209 G HA2 0.438 4.399 3.960 0.001 0.000 0.290 209 G HA3 0.438 4.399 3.960 0.001 0.000 0.290 209 G C -0.273 174.569 174.900 -0.097 0.000 1.310 209 G CA -0.803 44.226 45.100 -0.119 0.000 1.025 209 G HN 0.734 nan 8.290 nan 0.000 0.502 210 R N -0.262 120.185 120.500 -0.087 0.000 2.738 210 R HA 0.274 4.615 4.340 0.001 0.000 0.268 210 R C 0.366 176.628 176.300 -0.065 0.000 1.062 210 R CA -0.545 55.514 56.100 -0.067 0.000 1.158 210 R CB 0.549 30.814 30.300 -0.057 0.000 1.046 210 R HN 0.320 nan 8.270 nan 0.000 0.493 211 K N 1.820 122.193 120.400 -0.045 0.000 2.412 211 K HA -0.044 4.276 4.320 0.001 0.000 0.284 211 K C -0.690 175.904 176.600 -0.011 0.000 1.046 211 K CA 0.126 56.396 56.287 -0.028 0.000 0.999 211 K CB 0.502 32.993 32.500 -0.015 0.000 0.941 211 K HN 0.610 nan 8.250 nan 0.000 0.474 212 E N 3.395 123.598 120.200 0.005 0.000 2.331 212 E HA 0.150 4.501 4.350 0.001 0.000 0.272 212 E C -0.904 175.748 176.600 0.086 0.000 1.036 212 E CA -0.498 55.926 56.400 0.039 0.000 0.864 212 E CB 0.607 30.343 29.700 0.060 0.000 1.035 212 E HN 0.305 nan 8.360 nan 0.000 0.408 213 L N 4.789 126.063 121.223 0.086 0.000 2.277 213 L HA 0.419 4.759 4.340 0.001 0.000 0.284 213 L C -0.496 176.417 176.870 0.071 0.000 1.028 213 L CA -0.558 54.322 54.840 0.066 0.000 0.835 213 L CB -0.056 42.027 42.059 0.040 0.000 1.215 213 L HN 0.437 nan 8.230 nan 0.000 0.425 214 N N 2.374 121.105 118.700 0.051 0.000 2.477 214 N HA 0.365 5.106 4.740 0.001 0.000 0.284 214 N C 1.059 176.555 175.510 -0.024 0.000 1.182 214 N CA -0.699 52.355 53.050 0.006 0.000 0.949 214 N CB 1.403 39.872 38.487 -0.030 0.000 1.204 214 N HN 0.490 nan 8.380 nan 0.000 0.526 215 M N 0.007 119.576 119.600 -0.051 0.000 2.106 215 M HA -0.055 4.426 4.480 0.001 0.000 0.259 215 M C 0.639 176.905 176.300 -0.058 0.000 1.068 215 M CA 1.663 56.930 55.300 -0.054 0.000 1.100 215 M CB -0.035 32.524 32.600 -0.068 0.000 1.351 215 M HN 0.643 nan 8.290 nan 0.000 0.404 216 G N -1.808 106.945 108.800 -0.079 0.000 2.658 216 G HA2 0.426 4.386 3.960 0.001 0.000 0.292 216 G HA3 0.426 4.386 3.960 0.001 0.000 0.292 216 G C -1.147 173.707 174.900 -0.076 0.000 1.320 216 G CA -0.609 44.444 45.100 -0.078 0.000 0.933 216 G HN 0.445 nan 8.290 nan 0.000 0.476 217 Q N -0.682 119.085 119.800 -0.054 0.000 2.439 217 Q HA -0.198 4.142 4.340 0.001 0.000 0.325 217 Q C 1.410 177.407 176.000 -0.004 0.000 1.372 217 Q CA 0.477 56.259 55.803 -0.034 0.000 0.909 217 Q CB -0.721 27.972 28.738 -0.076 0.000 1.167 217 Q HN 0.635 nan 8.270 nan 0.000 0.418 218 R N -0.209 120.298 120.500 0.012 0.000 2.148 218 R HA -0.101 4.239 4.340 0.001 0.000 0.223 218 R C 2.511 178.853 176.300 0.070 0.000 1.088 218 R CA 1.564 57.684 56.100 0.033 0.000 0.985 218 R CB -0.156 30.161 30.300 0.028 0.000 0.880 218 R HN 0.774 nan 8.270 nan 0.000 0.451 219 C N -0.486 118.861 119.300 0.078 0.000 2.464 219 C HA 0.101 4.561 4.460 0.001 0.000 0.278 219 C C 1.607 176.689 174.990 0.155 0.000 1.375 219 C CA -0.680 58.402 59.018 0.107 0.000 1.761 219 C CB -0.560 27.209 27.740 0.048 0.000 1.944 219 C HN 0.203 nan 8.230 nan 0.000 0.509 220 S N 2.839 118.612 115.700 0.121 0.000 2.546 220 S HA 0.183 4.653 4.470 0.001 0.000 0.290 220 S C -0.058 174.649 174.600 0.179 0.000 1.290 220 S CA 0.063 58.373 58.200 0.183 0.000 1.069 220 S CB -0.082 63.183 63.200 0.110 0.000 0.846 220 S HN 0.777 nan 8.310 nan 0.000 0.495 221 D N 3.064 123.569 120.400 0.174 0.000 2.225 221 D HA 0.254 4.895 4.640 0.001 0.000 0.248 221 D C -0.389 175.938 176.300 0.046 0.000 1.096 221 D CA -0.380 53.632 54.000 0.020 0.000 0.863 221 D CB 1.463 42.154 40.800 -0.182 0.000 1.156 221 D HN 0.430 nan 8.370 nan 0.000 0.450 222 T N 2.051 116.645 114.554 0.067 0.000 2.848 222 T HA 0.606 4.956 4.350 0.001 0.000 0.285 222 T C -0.770 173.967 174.700 0.062 0.000 0.995 222 T CA -0.786 61.380 62.100 0.111 0.000 0.970 222 T CB 1.216 70.202 68.868 0.196 0.000 0.976 222 T HN 0.510 nan 8.240 nan 0.000 0.441 223 R N 1.977 122.485 120.500 0.013 0.000 2.668 223 R HA 0.593 4.933 4.340 0.001 0.000 0.272 223 R C 0.110 176.323 176.300 -0.146 0.000 1.019 223 R CA -1.043 55.010 56.100 -0.078 0.000 0.894 223 R CB 2.030 32.286 30.300 -0.073 0.000 1.228 223 R HN 0.881 nan 8.270 nan 0.000 0.460 224 G N 2.292 110.962 108.800 -0.217 0.000 2.483 224 G HA2 0.469 4.429 3.960 0.001 0.000 0.248 224 G HA3 0.469 4.429 3.960 0.001 0.000 0.248 224 G C -0.251 174.527 174.900 -0.204 0.000 1.248 224 G CA -0.248 44.711 45.100 -0.236 0.000 0.838 224 G HN 0.409 nan 8.290 nan 0.000 0.566 225 I N 1.152 121.590 120.570 -0.221 0.000 2.534 225 I HA 0.349 4.519 4.170 0.001 0.000 0.288 225 I C -0.506 175.390 176.117 -0.368 0.000 1.077 225 I CA -1.118 59.980 61.300 -0.337 0.000 1.051 225 I CB 2.218 39.931 38.000 -0.479 0.000 1.234 225 I HN 0.341 nan 8.210 nan 0.000 0.425 226 V N 6.612 126.277 119.914 -0.415 0.000 2.459 226 V HA 0.576 4.697 4.120 0.001 0.000 0.295 226 V C -1.296 174.523 176.094 -0.458 0.000 1.029 226 V CA -0.278 61.850 62.300 -0.288 0.000 0.874 226 V CB 1.501 33.234 31.823 -0.150 0.000 0.985 226 V HN 0.494 nan 8.190 nan 0.000 0.438 227 F N 4.710 124.618 119.950 -0.069 0.000 2.388 227 F HA 0.558 5.086 4.527 0.001 0.000 0.358 227 F C 0.457 176.228 175.800 -0.048 0.000 1.122 227 F CA -0.368 57.597 58.000 -0.058 0.000 1.056 227 F CB 1.564 40.520 39.000 -0.074 0.000 1.155 227 F HN 0.536 nan 8.300 nan 0.000 0.461 228 E N 3.539 123.789 120.200 0.084 0.000 2.346 228 E HA 0.174 4.524 4.350 0.001 0.000 0.239 228 E C -1.039 175.584 176.600 0.039 0.000 0.943 228 E CA -0.191 56.234 56.400 0.041 0.000 0.751 228 E CB 0.266 29.967 29.700 0.001 0.000 1.241 228 E HN 0.632 nan 8.360 nan 0.000 0.423 229 D N 1.384 121.807 120.400 0.038 0.000 2.873 229 D HA -0.130 4.511 4.640 0.001 0.000 0.228 229 D C -0.577 175.740 176.300 0.027 0.000 1.122 229 D CA 0.447 54.459 54.000 0.020 0.000 0.758 229 D CB -1.141 39.665 40.800 0.010 0.000 1.094 229 D HN 0.188 nan 8.370 nan 0.000 0.434 230 V N 1.346 121.289 119.914 0.048 0.000 2.508 230 V HA 0.029 4.150 4.120 0.001 0.000 0.281 230 V C 1.019 177.115 176.094 0.004 0.000 1.041 230 V CA -0.002 62.337 62.300 0.065 0.000 1.016 230 V CB 1.282 33.219 31.823 0.190 0.000 0.984 230 V HN -0.059 nan 8.190 nan 0.000 0.478 231 K N 4.887 125.296 120.400 0.016 0.000 2.285 231 K HA 0.463 4.783 4.320 0.001 0.000 0.286 231 K C -0.936 175.668 176.600 0.006 0.000 1.072 231 K CA -0.298 55.991 56.287 0.004 0.000 0.913 231 K CB 1.494 34.003 32.500 0.015 0.000 1.067 231 K HN 0.424 nan 8.250 nan 0.000 0.479 232 V N 5.127 125.036 119.914 -0.008 0.000 2.443 232 V HA 0.215 4.336 4.120 0.001 0.000 0.293 232 V C -2.246 173.919 176.094 0.119 0.000 1.021 232 V CA -2.191 60.114 62.300 0.009 0.000 0.848 232 V CB 1.643 33.364 31.823 -0.169 0.000 0.998 232 V HN 0.626 nan 8.190 nan 0.000 0.424 233 P HA 0.081 nan 4.420 nan 0.000 0.269 233 P C 0.847 178.282 177.300 0.224 0.000 1.252 233 P CA -0.021 63.165 63.100 0.143 0.000 0.780 233 P CB 0.926 32.691 31.700 0.109 0.000 0.829 234 K N 3.690 124.263 120.400 0.288 0.000 2.549 234 K HA -0.289 4.032 4.320 0.001 0.000 0.205 234 K C 0.795 177.535 176.600 0.232 0.000 0.985 234 K CA 2.418 58.912 56.287 0.344 0.000 0.888 234 K CB -0.122 32.486 32.500 0.180 0.000 1.087 234 K HN 0.347 nan 8.250 nan 0.000 0.511 235 E N -0.095 120.199 120.200 0.156 0.000 2.482 235 E HA -0.035 4.316 4.350 0.001 0.000 0.196 235 E C 0.670 177.333 176.600 0.105 0.000 1.047 235 E CA 0.678 57.143 56.400 0.108 0.000 0.869 235 E CB 0.085 29.835 29.700 0.084 0.000 0.836 235 E HN 0.391 nan 8.360 nan 0.000 0.520 236 N N -0.056 118.725 118.700 0.136 0.000 2.268 236 N HA 0.028 4.768 4.740 0.001 0.000 0.204 236 N C -0.465 175.083 175.510 0.063 0.000 1.124 236 N CA -0.020 53.092 53.050 0.102 0.000 0.838 236 N CB 0.802 39.354 38.487 0.109 0.000 0.994 236 N HN 0.049 nan 8.380 nan 0.000 0.489 237 V N 0.367 120.283 119.914 0.002 0.000 2.686 237 V HA 0.157 4.277 4.120 0.001 0.000 0.295 237 V C 1.041 177.012 176.094 -0.205 0.000 1.057 237 V CA -0.483 61.640 62.300 -0.295 0.000 1.012 237 V CB 1.002 32.571 31.823 -0.422 0.000 1.006 237 V HN -0.037 nan 8.190 nan 0.000 0.477 238 L N 4.296 125.363 121.223 -0.260 0.000 2.022 238 L HA 0.138 4.479 4.340 0.001 0.000 0.204 238 L C 1.721 178.542 176.870 -0.082 0.000 1.076 238 L CA 1.819 56.590 54.840 -0.116 0.000 0.749 238 L CB -0.593 41.435 42.059 -0.052 0.000 0.903 238 L HN 0.635 nan 8.230 nan 0.000 0.439 239 I N -2.059 118.456 120.570 -0.091 0.000 4.187 239 I HA 0.327 4.498 4.170 0.001 0.000 0.326 239 I C 0.894 176.979 176.117 -0.053 0.000 1.302 239 I CA 0.695 61.963 61.300 -0.054 0.000 1.196 239 I CB 0.254 38.231 38.000 -0.039 0.000 1.095 239 I HN 0.318 nan 8.210 nan 0.000 0.411 240 G N 0.591 109.336 108.800 -0.092 0.000 2.369 240 G HA2 -0.073 3.887 3.960 0.001 0.000 0.295 240 G HA3 -0.073 3.887 3.960 0.001 0.000 0.295 240 G C -1.487 173.350 174.900 -0.105 0.000 1.298 240 G CA -0.787 44.271 45.100 -0.069 0.000 0.940 240 G HN -0.046 nan 8.290 nan 0.000 0.536 241 D N 0.592 120.967 120.400 -0.041 0.000 2.348 241 D HA 0.463 5.103 4.640 0.001 0.000 0.253 241 D C 1.358 177.646 176.300 -0.020 0.000 1.161 241 D CA 1.774 55.756 54.000 -0.029 0.000 0.876 241 D CB 0.881 41.725 40.800 0.074 0.000 1.160 241 D HN 1.825 nan 8.370 nan 0.000 0.459 242 G N 2.749 111.534 108.800 -0.026 0.000 2.175 242 G HA2 -0.304 3.656 3.960 0.001 0.000 0.244 242 G HA3 -0.304 3.656 3.960 0.001 0.000 0.244 242 G C 0.870 175.794 174.900 0.041 0.000 0.982 242 G CA 0.415 45.522 45.100 0.011 0.000 0.641 242 G HN 0.670 nan 8.290 nan 0.000 0.527 243 A N 0.474 123.299 122.820 0.008 0.000 2.238 243 A HA 0.575 4.895 4.320 0.001 0.000 0.210 243 A C 2.539 180.156 177.584 0.054 0.000 1.179 243 A CA 1.480 53.533 52.037 0.026 0.000 0.827 243 A CB -0.568 18.424 19.000 -0.014 0.000 0.856 243 A HN 1.558 nan 8.150 nan 0.000 0.488 244 G N -0.090 108.746 108.800 0.060 0.000 2.574 244 G HA2 -0.348 3.612 3.960 0.001 0.000 0.220 244 G HA3 -0.348 3.612 3.960 0.001 0.000 0.220 244 G C 1.386 176.372 174.900 0.143 0.000 1.173 244 G CA 1.440 46.596 45.100 0.093 0.000 0.772 244 G HN 0.527 nan 8.290 nan 0.000 0.585 245 F N 1.212 121.206 119.950 0.073 0.000 2.234 245 F HA 0.094 4.622 4.527 0.002 0.000 0.299 245 F C 2.582 178.359 175.800 -0.039 0.000 1.087 245 F CA 1.866 59.859 58.000 -0.012 0.000 1.340 245 F CB 0.020 39.053 39.000 0.056 0.000 1.031 245 F HN 0.142 nan 8.300 nan 0.000 0.500 246 K N -0.226 120.240 120.400 0.110 0.000 2.062 246 K HA -0.095 4.226 4.320 0.001 0.000 0.205 246 K C 1.960 178.485 176.600 -0.124 0.000 1.051 246 K CA 1.442 57.731 56.287 0.004 0.000 0.941 246 K CB -0.264 32.268 32.500 0.053 0.000 0.719 246 K HN 0.159 nan 8.250 nan 0.000 0.440 247 V N 1.298 121.156 119.914 -0.094 0.000 2.332 247 V HA -0.258 3.862 4.120 0.001 0.000 0.248 247 V C 2.361 178.293 176.094 -0.271 0.000 1.055 247 V CA 2.060 64.278 62.300 -0.136 0.000 1.038 247 V CB -0.586 31.210 31.823 -0.045 0.000 0.651 247 V HN 0.491 nan 8.190 nan 0.000 0.450 248 A N -1.119 121.534 122.820 -0.279 0.000 1.872 248 A HA -0.181 4.140 4.320 0.001 0.000 0.214 248 A C 2.125 179.246 177.584 -0.772 0.000 1.187 248 A CA 1.861 53.653 52.037 -0.407 0.000 0.614 248 A CB -0.564 18.306 19.000 -0.216 0.000 0.826 248 A HN 0.384 nan 8.150 nan 0.000 0.442 249 M N 0.348 119.499 119.600 -0.749 0.000 2.103 249 M HA -0.191 4.289 4.480 0.001 0.000 0.255 249 M C 2.026 177.946 176.300 -0.633 0.000 1.074 249 M CA 1.628 56.492 55.300 -0.728 0.000 1.090 249 M CB -1.252 31.083 32.600 -0.441 0.000 1.325 249 M HN 0.434 nan 8.290 nan 0.000 0.403 250 G N -1.789 106.750 108.800 -0.435 0.000 2.484 250 G HA2 0.069 4.029 3.960 0.001 0.000 0.218 250 G HA3 0.069 4.029 3.960 0.001 0.000 0.218 250 G C 1.499 176.227 174.900 -0.287 0.000 1.130 250 G CA 0.748 45.682 45.100 -0.276 0.000 0.784 250 G HN 0.647 nan 8.290 nan 0.000 0.543 251 A N 0.298 122.860 122.820 -0.430 0.000 2.131 251 A HA 0.112 4.433 4.320 0.001 0.000 0.220 251 A C 1.896 179.439 177.584 -0.068 0.000 1.158 251 A CA 1.008 52.863 52.037 -0.303 0.000 0.665 251 A CB -0.415 18.380 19.000 -0.342 0.000 0.795 251 A HN 0.286 nan 8.150 nan 0.000 0.460 252 F N -0.182 119.672 119.950 -0.160 0.000 2.387 252 F HA 0.056 4.584 4.527 0.001 0.000 0.294 252 F C 1.793 177.533 175.800 -0.101 0.000 1.093 252 F CA 0.223 58.135 58.000 -0.147 0.000 1.420 252 F CB -1.074 37.851 39.000 -0.124 0.000 1.086 252 F HN 0.175 nan 8.300 nan 0.000 0.531 253 D N 0.580 121.044 120.400 0.107 0.000 2.133 253 D HA -0.186 4.454 4.640 0.001 0.000 0.192 253 D C 2.022 178.340 176.300 0.030 0.000 1.001 253 D CA 1.492 55.528 54.000 0.060 0.000 0.844 253 D CB -0.124 40.691 40.800 0.024 0.000 0.944 253 D HN 0.163 nan 8.370 nan 0.000 0.447 254 K N -0.775 119.610 120.400 -0.025 0.000 2.400 254 K HA 0.059 4.380 4.320 0.001 0.000 0.194 254 K C 1.565 178.122 176.600 -0.071 0.000 1.033 254 K CA 0.973 57.213 56.287 -0.077 0.000 1.021 254 K CB 0.541 32.906 32.500 -0.225 0.000 0.808 254 K HN 0.319 nan 8.250 nan 0.000 0.505 255 T N -2.775 111.753 114.554 -0.044 0.000 2.987 255 T HA 0.117 4.467 4.350 0.001 0.000 0.248 255 T C 1.826 176.478 174.700 -0.080 0.000 0.997 255 T CA -0.328 61.735 62.100 -0.063 0.000 1.013 255 T CB 0.091 68.903 68.868 -0.092 0.000 1.077 255 T HN -0.142 nan 8.240 nan 0.000 0.483 256 R N 2.648 123.107 120.500 -0.068 0.000 2.113 256 R HA 0.033 4.373 4.340 0.001 0.000 0.244 256 R C -0.838 175.432 176.300 -0.050 0.000 1.142 256 R CA 1.708 57.754 56.100 -0.090 0.000 0.953 256 R CB -1.684 28.585 30.300 -0.051 0.000 0.860 256 R HN 0.378 nan 8.270 nan 0.000 0.438 257 P HA -0.107 nan 4.420 nan 0.000 0.216 257 P C 1.074 178.299 177.300 -0.125 0.000 1.150 257 P CA 1.062 64.168 63.100 0.009 0.000 0.837 257 P CB 0.031 31.778 31.700 0.077 0.000 0.786 258 V N -0.049 119.799 119.914 -0.110 0.000 2.427 258 V HA -0.163 3.957 4.120 0.001 0.000 0.248 258 V C 2.507 178.507 176.094 -0.156 0.000 1.051 258 V CA 1.906 64.111 62.300 -0.159 0.000 1.048 258 V CB -1.350 30.436 31.823 -0.063 0.000 0.666 258 V HN 0.064 nan 8.190 nan 0.000 0.456 259 V N 0.525 120.375 119.914 -0.108 0.000 2.453 259 V HA -0.083 4.037 4.120 0.001 0.000 0.247 259 V C 2.511 178.590 176.094 -0.024 0.000 1.048 259 V CA 1.997 64.284 62.300 -0.022 0.000 1.049 259 V CB -0.496 31.265 31.823 -0.102 0.000 0.672 259 V HN 0.405 nan 8.190 nan 0.000 0.457 260 A N 0.585 123.349 122.820 -0.093 0.000 1.908 260 A HA -0.052 4.268 4.320 0.001 0.000 0.218 260 A C 2.529 179.944 177.584 -0.281 0.000 1.181 260 A CA 2.446 54.413 52.037 -0.117 0.000 0.627 260 A CB -1.217 17.783 19.000 -0.000 0.000 0.818 260 A HN 1.069 nan 8.150 nan 0.000 0.445 261 A N -0.560 121.924 122.820 -0.559 0.000 1.972 261 A HA 0.130 4.450 4.320 0.001 0.000 0.219 261 A C 2.375 179.740 177.584 -0.364 0.000 1.169 261 A CA 1.902 53.431 52.037 -0.846 0.000 0.635 261 A CB -1.310 17.061 19.000 -1.048 0.000 0.810 261 A HN 0.714 nan 8.150 nan 0.000 0.446 262 G N -0.355 108.300 108.800 -0.242 0.000 2.433 262 G HA2 -0.014 3.947 3.960 0.001 0.000 0.216 262 G HA3 -0.014 3.947 3.960 0.001 0.000 0.216 262 G C 1.791 176.479 174.900 -0.353 0.000 1.186 262 G CA 1.468 46.493 45.100 -0.125 0.000 0.779 262 G HN 0.820 nan 8.290 nan 0.000 0.543 263 A N -0.016 122.319 122.820 -0.807 0.000 1.948 263 A HA 0.007 4.328 4.320 0.001 0.000 0.220 263 A C 2.592 179.934 177.584 -0.404 0.000 1.177 263 A CA 2.020 53.447 52.037 -1.016 0.000 0.636 263 A CB -0.614 17.815 19.000 -0.952 0.000 0.815 263 A HN 0.298 nan 8.150 nan 0.000 0.449 264 V N -0.333 119.445 119.914 -0.226 0.000 2.453 264 V HA -0.125 3.995 4.120 0.001 0.000 0.247 264 V C 2.802 178.896 176.094 0.000 0.000 1.048 264 V CA 1.703 63.975 62.300 -0.046 0.000 1.049 264 V CB -1.356 30.550 31.823 0.140 0.000 0.672 264 V HN 0.617 nan 8.190 nan 0.000 0.457 265 G N 0.751 109.545 108.800 -0.011 0.000 2.446 265 G HA2 -0.271 3.689 3.960 0.001 0.000 0.217 265 G HA3 -0.271 3.689 3.960 0.001 0.000 0.217 265 G C 1.571 176.502 174.900 0.051 0.000 1.168 265 G CA 1.401 46.549 45.100 0.081 0.000 0.771 265 G HN 0.494 nan 8.290 nan 0.000 0.551 266 L N 1.333 122.529 121.223 -0.044 0.000 2.072 266 L HA 0.324 4.665 4.340 0.001 0.000 0.205 266 L C 2.847 179.666 176.870 -0.085 0.000 1.079 266 L CA 2.022 56.817 54.840 -0.075 0.000 0.752 266 L CB -1.355 40.672 42.059 -0.053 0.000 0.906 266 L HN 0.224 nan 8.230 nan 0.000 0.436 267 A N -0.275 122.495 122.820 -0.084 0.000 1.884 267 A HA -0.350 3.970 4.320 0.001 0.000 0.219 267 A C 2.346 179.919 177.584 -0.018 0.000 1.197 267 A CA 2.346 54.347 52.037 -0.061 0.000 0.637 267 A CB -0.994 17.964 19.000 -0.070 0.000 0.827 267 A HN 0.649 nan 8.150 nan 0.000 0.450 268 Q N -0.523 119.301 119.800 0.040 0.000 2.084 268 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 268 Q C 2.144 178.190 176.000 0.077 0.000 0.978 268 Q CA 2.210 58.086 55.803 0.122 0.000 0.844 268 Q CB -0.271 28.613 28.738 0.243 0.000 0.898 268 Q HN 0.583 nan 8.270 nan 0.000 0.426 269 R N 0.093 120.498 120.500 -0.158 0.000 2.080 269 R HA -0.091 4.250 4.340 0.001 0.000 0.236 269 R C 2.057 178.214 176.300 -0.239 0.000 1.137 269 R CA 2.014 57.767 56.100 -0.578 0.000 0.943 269 R CB -1.125 28.722 30.300 -0.755 0.000 0.846 269 R HN 0.310 nan 8.270 nan 0.000 0.431 270 A N 0.715 123.448 122.820 -0.145 0.000 1.903 270 A HA -0.225 4.096 4.320 0.001 0.000 0.219 270 A C 2.133 179.697 177.584 -0.033 0.000 1.191 270 A CA 1.928 53.919 52.037 -0.077 0.000 0.638 270 A CB -0.988 17.977 19.000 -0.060 0.000 0.823 270 A HN 0.415 nan 8.150 nan 0.000 0.451 271 L N -0.137 121.081 121.223 -0.009 0.000 2.017 271 L HA -0.167 4.173 4.340 0.001 0.000 0.208 271 L C 1.718 178.616 176.870 0.047 0.000 1.073 271 L CA 2.628 57.483 54.840 0.025 0.000 0.745 271 L CB -0.709 41.374 42.059 0.040 0.000 0.894 271 L HN 0.358 nan 8.230 nan 0.000 0.432 272 D N -0.757 119.681 120.400 0.063 0.000 2.117 272 D HA -0.146 4.494 4.640 0.001 0.000 0.198 272 D C 2.130 178.476 176.300 0.077 0.000 0.982 272 D CA 0.936 54.996 54.000 0.100 0.000 0.828 272 D CB -0.022 40.893 40.800 0.192 0.000 0.967 272 D HN 0.320 nan 8.370 nan 0.000 0.464 273 E N 0.834 121.054 120.200 0.034 0.000 2.023 273 E HA -0.134 4.217 4.350 0.001 0.000 0.196 273 E C 2.108 178.756 176.600 0.081 0.000 1.003 273 E CA 1.172 57.600 56.400 0.047 0.000 0.809 273 E CB -0.598 29.102 29.700 -0.000 0.000 0.755 273 E HN 0.225 nan 8.360 nan 0.000 0.449 274 A N 0.594 123.444 122.820 0.049 0.000 2.019 274 A HA -0.137 4.184 4.320 0.001 0.000 0.219 274 A C 2.356 180.009 177.584 0.116 0.000 1.164 274 A CA 1.993 54.069 52.037 0.065 0.000 0.644 274 A CB -0.655 18.362 19.000 0.029 0.000 0.805 274 A HN 0.283 nan 8.150 nan 0.000 0.449 275 T N -0.158 114.455 114.554 0.098 0.000 2.770 275 T HA -0.097 4.254 4.350 0.001 0.000 0.258 275 T C 2.112 176.876 174.700 0.107 0.000 1.039 275 T CA 1.458 63.614 62.100 0.094 0.000 1.143 275 T CB -0.238 68.674 68.868 0.073 0.000 0.866 275 T HN 0.458 nan 8.240 nan 0.000 0.428 276 K N 0.862 121.329 120.400 0.112 0.000 2.077 276 K HA -0.190 4.130 4.320 0.001 0.000 0.213 276 K C 2.017 178.698 176.600 0.134 0.000 1.051 276 K CA 1.694 58.048 56.287 0.112 0.000 0.929 276 K CB -1.147 31.427 32.500 0.122 0.000 0.715 276 K HN 0.689 nan 8.250 nan 0.000 0.451 277 Y N 0.215 120.544 120.300 0.049 0.000 2.314 277 Y HA 0.056 4.607 4.550 0.001 0.000 0.293 277 Y C 2.229 178.152 175.900 0.038 0.000 1.129 277 Y CA 0.952 59.082 58.100 0.050 0.000 1.201 277 Y CB -0.216 38.275 38.460 0.051 0.000 0.999 277 Y HN 0.174 nan 8.280 nan 0.000 0.541 278 A N -0.566 122.368 122.820 0.190 0.000 2.208 278 A HA 0.086 4.406 4.320 0.001 0.000 0.209 278 A C 1.696 179.297 177.584 0.028 0.000 1.161 278 A CA 0.608 52.715 52.037 0.116 0.000 0.782 278 A CB -0.699 18.385 19.000 0.140 0.000 0.816 278 A HN 0.525 nan 8.150 nan 0.000 0.477 279 L N -0.471 120.760 121.223 0.013 0.000 2.607 279 L HA 0.070 4.410 4.340 0.001 0.000 0.228 279 L C 2.065 178.904 176.870 -0.050 0.000 1.123 279 L CA 0.694 55.527 54.840 -0.011 0.000 0.890 279 L CB 0.029 42.094 42.059 0.010 0.000 1.103 279 L HN 0.636 nan 8.230 nan 0.000 0.468 280 E N -0.160 119.973 120.200 -0.110 0.000 2.399 280 E HA 0.008 4.359 4.350 0.001 0.000 0.206 280 E C 0.856 177.328 176.600 -0.214 0.000 0.812 280 E CA -0.435 55.877 56.400 -0.146 0.000 1.138 280 E CB 0.112 29.733 29.700 -0.133 0.000 1.140 280 E HN 0.036 nan 8.360 nan 0.000 0.536 281 R N 3.581 123.861 120.500 -0.367 0.000 2.370 281 R HA 0.117 4.457 4.340 0.001 0.000 0.309 281 R C -0.435 175.790 176.300 -0.124 0.000 1.059 281 R CA -0.087 55.818 56.100 -0.325 0.000 0.981 281 R CB 0.345 30.301 30.300 -0.574 0.000 0.972 281 R HN 0.031 nan 8.270 nan 0.000 0.437 282 K N 2.359 122.711 120.400 -0.079 0.000 2.208 282 K HA 0.614 4.934 4.320 0.001 0.000 0.247 282 K C -0.958 175.642 176.600 -0.001 0.000 0.953 282 K CA -0.891 55.382 56.287 -0.025 0.000 0.837 282 K CB 1.815 34.294 32.500 -0.035 0.000 1.131 282 K HN 0.737 nan 8.250 nan 0.000 0.431 283 T N -2.200 112.404 114.554 0.082 0.000 2.900 283 T HA 0.448 4.798 4.350 0.001 0.000 0.303 283 T C -0.163 174.644 174.700 0.179 0.000 1.142 283 T CA -0.850 61.254 62.100 0.007 0.000 1.007 283 T CB 0.305 69.222 68.868 0.081 0.000 1.156 283 T HN 0.591 nan 8.240 nan 0.000 0.490 284 F N 0.796 120.813 119.950 0.111 0.000 3.097 284 F HA -0.096 4.431 4.527 0.001 0.000 0.278 284 F C 1.743 177.600 175.800 0.094 0.000 0.917 284 F CA 1.562 59.624 58.000 0.104 0.000 0.962 284 F CB -2.062 37.013 39.000 0.125 0.000 0.964 284 F HN 1.588 nan 8.300 nan 0.000 0.668 285 G N -1.293 107.587 108.800 0.133 0.000 2.234 285 G HA2 -0.298 3.663 3.960 0.001 0.000 0.235 285 G HA3 -0.298 3.663 3.960 0.001 0.000 0.235 285 G C 0.337 175.260 174.900 0.039 0.000 0.997 285 G CA 0.221 45.368 45.100 0.077 0.000 0.623 285 G HN 0.561 nan 8.290 nan 0.000 0.514 286 K N -0.094 120.324 120.400 0.030 0.000 2.350 286 K HA 0.804 5.124 4.320 0.001 0.000 0.241 286 K C 0.226 176.758 176.600 -0.115 0.000 0.994 286 K CA -1.071 55.165 56.287 -0.084 0.000 0.839 286 K CB 1.859 34.227 32.500 -0.220 0.000 1.244 286 K HN 0.107 nan 8.250 nan 0.000 0.443 287 L N 2.013 123.158 121.223 -0.131 0.000 2.453 287 L HA 0.119 4.460 4.340 0.001 0.000 0.261 287 L C 1.639 178.428 176.870 -0.136 0.000 1.179 287 L CA -0.312 54.467 54.840 -0.101 0.000 0.813 287 L CB 0.236 42.252 42.059 -0.071 0.000 1.110 287 L HN 0.547 nan 8.230 nan 0.000 0.466 288 L N 1.453 122.663 121.223 -0.021 0.000 2.081 288 L HA -0.192 4.148 4.340 0.001 0.000 0.212 288 L C 2.206 179.100 176.870 0.040 0.000 1.080 288 L CA 1.257 56.144 54.840 0.080 0.000 0.754 288 L CB -0.569 41.571 42.059 0.136 0.000 0.893 288 L HN 0.714 nan 8.230 nan 0.000 0.433 289 V N -3.375 116.544 119.914 0.008 0.000 3.141 289 V HA -0.141 3.980 4.120 0.001 0.000 0.265 289 V C 1.736 177.830 176.094 -0.001 0.000 1.126 289 V CA 1.216 63.531 62.300 0.026 0.000 1.141 289 V CB -0.654 31.184 31.823 0.026 0.000 0.743 289 V HN 0.442 nan 8.190 nan 0.000 0.492 290 E N -0.868 119.276 120.200 -0.092 0.000 2.442 290 E HA 0.046 4.397 4.350 0.001 0.000 0.195 290 E C 0.162 176.699 176.600 -0.106 0.000 1.030 290 E CA 0.010 56.342 56.400 -0.112 0.000 0.869 290 E CB -0.014 29.586 29.700 -0.167 0.000 0.857 290 E HN 0.674 nan 8.360 nan 0.000 0.505 291 H N 1.249 120.342 119.070 0.038 0.000 2.819 291 H HA 0.057 4.613 4.556 0.001 0.000 0.303 291 H C 0.806 176.138 175.328 0.008 0.000 1.058 291 H CA 0.184 56.241 56.048 0.014 0.000 1.471 291 H CB 1.133 30.910 29.762 0.026 0.000 1.480 291 H HN 0.158 nan 8.280 nan 0.000 0.517 292 Q N 2.928 122.779 119.800 0.084 0.000 2.124 292 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 292 Q C 1.908 177.886 176.000 -0.037 0.000 0.977 292 Q CA 1.435 57.240 55.803 0.003 0.000 0.850 292 Q CB 0.227 28.875 28.738 -0.149 0.000 0.901 292 Q HN 0.814 nan 8.270 nan 0.000 0.429 293 A N 0.672 123.449 122.820 -0.072 0.000 1.873 293 A HA -0.171 4.149 4.320 0.001 0.000 0.215 293 A C 1.896 179.526 177.584 0.077 0.000 1.186 293 A CA 1.052 53.047 52.037 -0.070 0.000 0.616 293 A CB -0.518 18.435 19.000 -0.078 0.000 0.823 293 A HN 0.355 nan 8.150 nan 0.000 0.442 294 I N -0.111 120.522 120.570 0.104 0.000 2.163 294 I HA -0.199 3.971 4.170 0.001 0.000 0.243 294 I C 2.741 178.950 176.117 0.153 0.000 1.085 294 I CA 1.938 63.315 61.300 0.129 0.000 1.347 294 I CB -1.449 36.642 38.000 0.151 0.000 1.044 294 I HN 0.364 nan 8.210 nan 0.000 0.408 295 S N 0.360 116.168 115.700 0.179 0.000 2.370 295 S HA -0.184 4.286 4.470 0.001 0.000 0.226 295 S C 2.009 176.756 174.600 0.245 0.000 1.033 295 S CA 1.273 59.590 58.200 0.194 0.000 1.011 295 S CB -0.302 63.028 63.200 0.216 0.000 0.852 295 S HN 0.274 nan 8.310 nan 0.000 0.457 296 F N 1.092 121.059 119.950 0.028 0.000 2.216 296 F HA 0.033 4.561 4.527 0.001 0.000 0.300 296 F C 2.249 178.062 175.800 0.021 0.000 1.085 296 F CA 1.069 59.082 58.000 0.022 0.000 1.326 296 F CB -0.490 38.521 39.000 0.018 0.000 1.027 296 F HN 0.268 nan 8.300 nan 0.000 0.497 297 M N -1.105 118.619 119.600 0.207 0.000 2.160 297 M HA -0.144 4.336 4.480 0.001 0.000 0.264 297 M C 1.946 178.292 176.300 0.076 0.000 1.073 297 M CA 1.132 56.504 55.300 0.120 0.000 1.142 297 M CB -0.176 32.485 32.600 0.101 0.000 1.358 297 M HN -0.024 nan 8.290 nan 0.000 0.422 298 L N 0.327 121.597 121.223 0.079 0.000 2.079 298 L HA -0.161 4.180 4.340 0.001 0.000 0.210 298 L C 2.703 179.591 176.870 0.030 0.000 1.081 298 L CA 2.153 57.026 54.840 0.055 0.000 0.752 298 L CB -2.083 40.013 42.059 0.063 0.000 0.896 298 L HN 0.371 nan 8.230 nan 0.000 0.433 299 A N -0.697 122.133 122.820 0.016 0.000 1.873 299 A HA -0.196 4.125 4.320 0.001 0.000 0.215 299 A C 2.254 179.819 177.584 -0.032 0.000 1.186 299 A CA 1.474 53.489 52.037 -0.037 0.000 0.616 299 A CB -0.426 18.499 19.000 -0.125 0.000 0.823 299 A HN 0.461 nan 8.150 nan 0.000 0.442 300 E N -0.724 119.467 120.200 -0.016 0.000 2.106 300 E HA -0.150 4.201 4.350 0.001 0.000 0.192 300 E C 2.061 178.670 176.600 0.016 0.000 0.984 300 E CA 1.301 57.701 56.400 0.001 0.000 0.806 300 E CB -0.255 29.459 29.700 0.023 0.000 0.750 300 E HN 0.639 nan 8.360 nan 0.000 0.458 301 M N 0.290 119.900 119.600 0.017 0.000 2.202 301 M HA -0.191 4.289 4.480 0.001 0.000 0.262 301 M C 2.340 178.649 176.300 0.015 0.000 1.063 301 M CA 1.518 56.826 55.300 0.012 0.000 1.097 301 M CB -0.111 32.499 32.600 0.016 0.000 1.382 301 M HN 0.141 nan 8.290 nan 0.000 0.413 302 A N -0.080 122.749 122.820 0.014 0.000 1.898 302 A HA -0.088 4.233 4.320 0.001 0.000 0.214 302 A C 2.083 179.677 177.584 0.017 0.000 1.183 302 A CA 1.134 53.180 52.037 0.014 0.000 0.622 302 A CB -0.488 18.515 19.000 0.004 0.000 0.824 302 A HN 0.387 nan 8.150 nan 0.000 0.444 303 M N -0.272 119.336 119.600 0.013 0.000 2.110 303 M HA -0.278 4.203 4.480 0.001 0.000 0.257 303 M C 2.176 178.525 176.300 0.080 0.000 1.071 303 M CA 2.300 57.618 55.300 0.029 0.000 1.096 303 M CB -0.451 32.164 32.600 0.025 0.000 1.300 303 M HN 0.312 nan 8.290 nan 0.000 0.411 304 K N -0.417 120.033 120.400 0.084 0.000 2.074 304 K HA -0.162 4.158 4.320 0.001 0.000 0.209 304 K C 1.797 178.463 176.600 0.110 0.000 1.048 304 K CA 1.589 57.946 56.287 0.117 0.000 0.926 304 K CB -0.366 32.132 32.500 -0.005 0.000 0.713 304 K HN 0.199 nan 8.250 nan 0.000 0.444 305 V N 1.553 121.500 119.914 0.056 0.000 2.358 305 V HA -0.188 3.932 4.120 0.001 0.000 0.246 305 V C 2.184 178.326 176.094 0.079 0.000 1.047 305 V CA 1.590 63.924 62.300 0.057 0.000 1.035 305 V CB -0.351 31.498 31.823 0.043 0.000 0.658 305 V HN 0.274 nan 8.190 nan 0.000 0.452 306 E N 0.065 120.301 120.200 0.059 0.000 2.077 306 E HA -0.181 4.169 4.350 0.001 0.000 0.193 306 E C 2.183 178.810 176.600 0.045 0.000 0.989 306 E CA 1.087 57.505 56.400 0.029 0.000 0.800 306 E CB -0.304 29.392 29.700 -0.006 0.000 0.746 306 E HN 0.325 nan 8.360 nan 0.000 0.452 307 L N 0.647 121.933 121.223 0.105 0.000 2.056 307 L HA -0.070 4.270 4.340 0.001 0.000 0.207 307 L C 2.383 179.380 176.870 0.212 0.000 1.078 307 L CA 1.607 56.517 54.840 0.118 0.000 0.749 307 L CB -1.569 40.574 42.059 0.140 0.000 0.901 307 L HN 0.009 nan 8.230 nan 0.000 0.433 308 A N -0.545 122.503 122.820 0.379 0.000 1.877 308 A HA -0.262 4.059 4.320 0.001 0.000 0.216 308 A C 2.533 180.223 177.584 0.177 0.000 1.186 308 A CA 1.838 54.093 52.037 0.363 0.000 0.620 308 A CB -0.578 18.546 19.000 0.205 0.000 0.822 308 A HN 0.356 nan 8.150 nan 0.000 0.443 309 R N -1.014 119.532 120.500 0.075 0.000 2.096 309 R HA -0.169 4.171 4.340 0.001 0.000 0.240 309 R C 2.255 178.311 176.300 -0.406 0.000 1.139 309 R CA 2.184 58.174 56.100 -0.184 0.000 0.952 309 R CB -0.341 29.914 30.300 -0.074 0.000 0.854 309 R HN 0.561 nan 8.270 nan 0.000 0.436 310 M N 0.007 119.522 119.600 -0.140 0.000 2.117 310 M HA -0.188 4.292 4.480 0.001 0.000 0.262 310 M C 2.540 178.790 176.300 -0.083 0.000 1.065 310 M CA 2.010 57.264 55.300 -0.077 0.000 1.114 310 M CB -0.220 32.395 32.600 0.024 0.000 1.361 310 M HN 0.343 nan 8.290 nan 0.000 0.408 311 S N 0.716 116.406 115.700 -0.017 0.000 2.365 311 S HA -0.242 4.229 4.470 0.001 0.000 0.225 311 S C 1.890 176.539 174.600 0.081 0.000 1.039 311 S CA 1.942 60.176 58.200 0.056 0.000 1.033 311 S CB -0.779 62.501 63.200 0.133 0.000 0.887 311 S HN 0.640 nan 8.310 nan 0.000 0.447 312 Y N 1.129 121.467 120.300 0.063 0.000 2.286 312 Y HA 0.270 4.820 4.550 0.001 0.000 0.293 312 Y C 2.376 178.267 175.900 -0.015 0.000 1.124 312 Y CA 0.853 58.968 58.100 0.024 0.000 1.178 312 Y CB -1.195 37.260 38.460 -0.008 0.000 1.010 312 Y HN 0.270 nan 8.280 nan 0.000 0.536 313 Q N 0.264 119.761 119.800 -0.506 0.000 2.096 313 Q HA -0.292 4.048 4.340 0.001 0.000 0.208 313 Q C 2.374 178.430 176.000 0.095 0.000 0.993 313 Q CA 2.353 57.990 55.803 -0.278 0.000 0.862 313 Q CB -0.293 28.296 28.738 -0.248 0.000 0.915 313 Q HN 0.350 nan 8.270 nan 0.000 0.416 314 R N 0.696 121.214 120.500 0.030 0.000 2.081 314 R HA -0.109 4.231 4.340 0.001 0.000 0.235 314 R C 1.917 178.267 176.300 0.083 0.000 1.131 314 R CA 1.757 57.860 56.100 0.005 0.000 0.960 314 R CB -0.854 29.361 30.300 -0.141 0.000 0.856 314 R HN 0.281 nan 8.270 nan 0.000 0.436 315 A N 0.233 123.131 122.820 0.131 0.000 1.877 315 A HA -0.031 4.289 4.320 0.001 0.000 0.216 315 A C 2.402 180.105 177.584 0.198 0.000 1.186 315 A CA 1.968 54.121 52.037 0.193 0.000 0.620 315 A CB -1.177 17.945 19.000 0.203 0.000 0.822 315 A HN 0.480 nan 8.150 nan 0.000 0.443 316 A N -1.786 121.165 122.820 0.218 0.000 1.898 316 A HA -0.151 4.169 4.320 0.001 0.000 0.216 316 A C 2.003 179.771 177.584 0.307 0.000 1.181 316 A CA 1.543 53.717 52.037 0.228 0.000 0.620 316 A CB -0.936 18.172 19.000 0.180 0.000 0.819 316 A HN 0.863 nan 8.150 nan 0.000 0.442 317 W N 1.142 122.568 121.300 0.211 0.000 2.363 317 W HA -0.155 4.506 4.660 0.001 0.000 0.296 317 W C 1.941 178.476 176.519 0.027 0.000 1.212 317 W CA 1.801 59.221 57.345 0.125 0.000 1.260 317 W CB 0.082 29.560 29.460 0.030 0.000 1.131 317 W HN 0.339 nan 8.180 nan 0.000 0.530 318 E N -0.104 120.169 120.200 0.120 0.000 2.058 318 E HA -0.236 4.115 4.350 0.001 0.000 0.194 318 E C 2.260 178.762 176.600 -0.164 0.000 0.997 318 E CA 1.752 58.109 56.400 -0.072 0.000 0.801 318 E CB -1.207 28.581 29.700 0.147 0.000 0.746 318 E HN 0.313 nan 8.360 nan 0.000 0.450 319 V N 1.872 121.757 119.914 -0.048 0.000 2.548 319 V HA -0.175 3.946 4.120 0.001 0.000 0.249 319 V C 1.373 177.403 176.094 -0.106 0.000 1.055 319 V CA 1.740 64.011 62.300 -0.049 0.000 1.065 319 V CB -0.217 31.615 31.823 0.016 0.000 0.681 319 V HN 0.081 nan 8.190 nan 0.000 0.462 320 D N -0.014 120.307 120.400 -0.131 0.000 2.218 320 D HA -0.092 4.548 4.640 0.001 0.000 0.204 320 D C 2.199 178.330 176.300 -0.282 0.000 0.976 320 D CA 1.516 55.422 54.000 -0.156 0.000 0.853 320 D CB -0.080 40.658 40.800 -0.104 0.000 0.939 320 D HN 0.454 nan 8.370 nan 0.000 0.481 321 S N -0.834 114.581 115.700 -0.475 0.000 2.607 321 S HA 0.216 4.686 4.470 0.001 0.000 0.224 321 S C 1.589 176.023 174.600 -0.276 0.000 0.969 321 S CA 0.572 58.471 58.200 -0.502 0.000 0.927 321 S CB 0.450 63.111 63.200 -0.899 0.000 0.772 321 S HN 0.448 nan 8.310 nan 0.000 0.533 322 G N 1.568 110.252 108.800 -0.192 0.000 2.143 322 G HA2 -0.259 3.701 3.960 0.001 0.000 0.249 322 G HA3 -0.259 3.701 3.960 0.001 0.000 0.249 322 G C 0.059 174.905 174.900 -0.089 0.000 0.981 322 G CA -0.235 44.796 45.100 -0.114 0.000 0.665 322 G HN 0.436 nan 8.290 nan 0.000 0.528 323 R N 0.050 120.487 120.500 -0.104 0.000 2.486 323 R HA 0.540 4.881 4.340 0.001 0.000 0.286 323 R C 0.890 177.186 176.300 -0.005 0.000 0.999 323 R CA -0.830 55.243 56.100 -0.044 0.000 0.993 323 R CB 0.663 30.944 30.300 -0.032 0.000 1.084 323 R HN 0.245 nan 8.270 nan 0.000 0.487 324 R N 2.363 122.877 120.500 0.023 0.000 2.491 324 R HA -0.001 4.339 4.340 0.001 0.000 0.283 324 R C -0.315 176.047 176.300 0.104 0.000 1.072 324 R CA 0.074 56.203 56.100 0.048 0.000 1.048 324 R CB 0.492 30.816 30.300 0.040 0.000 0.983 324 R HN 0.748 nan 8.270 nan 0.000 0.450 325 N N 2.536 121.315 118.700 0.131 0.000 2.299 325 N HA -0.011 4.730 4.740 0.001 0.000 0.246 325 N C 0.221 175.867 175.510 0.227 0.000 1.254 325 N CA -0.321 52.863 53.050 0.223 0.000 0.879 325 N CB 0.488 39.100 38.487 0.209 0.000 1.214 325 N HN 0.488 nan 8.380 nan 0.000 0.510 326 T N 0.475 115.133 114.554 0.173 0.000 2.624 326 T HA -0.289 4.062 4.350 0.001 0.000 0.266 326 T C 1.244 176.050 174.700 0.176 0.000 1.050 326 T CA 2.123 64.318 62.100 0.158 0.000 1.163 326 T CB -0.639 68.312 68.868 0.138 0.000 0.861 326 T HN 0.460 nan 8.240 nan 0.000 0.443 327 Y N 0.550 120.875 120.300 0.040 0.000 2.128 327 Y HA -0.221 4.329 4.550 0.001 0.000 0.284 327 Y C 2.165 178.045 175.900 -0.033 0.000 1.154 327 Y CA 1.221 59.297 58.100 -0.040 0.000 1.149 327 Y CB -0.523 37.838 38.460 -0.164 0.000 0.976 327 Y HN 0.250 nan 8.280 nan 0.000 0.505 328 Y N -0.484 119.881 120.300 0.109 0.000 2.286 328 Y HA 0.011 4.562 4.550 0.001 0.000 0.293 328 Y C 2.636 178.545 175.900 0.016 0.000 1.124 328 Y CA 0.977 59.085 58.100 0.013 0.000 1.178 328 Y CB -1.055 37.506 38.460 0.167 0.000 1.010 328 Y HN 0.222 nan 8.280 nan 0.000 0.536 329 A N -1.108 121.834 122.820 0.203 0.000 1.972 329 A HA -0.165 4.155 4.320 0.001 0.000 0.219 329 A C 2.434 180.060 177.584 0.069 0.000 1.169 329 A CA 1.978 54.093 52.037 0.130 0.000 0.635 329 A CB -0.872 18.196 19.000 0.113 0.000 0.810 329 A HN 0.353 nan 8.150 nan 0.000 0.446 330 S N -0.507 115.214 115.700 0.034 0.000 2.387 330 S HA -0.014 4.456 4.470 0.001 0.000 0.226 330 S C 1.763 176.354 174.600 -0.016 0.000 1.026 330 S CA 1.078 59.279 58.200 0.001 0.000 0.972 330 S CB -0.393 62.807 63.200 -0.001 0.000 0.814 330 S HN 0.556 nan 8.310 nan 0.000 0.477 331 I N 1.496 122.024 120.570 -0.070 0.000 2.286 331 I HA -0.201 3.969 4.170 0.001 0.000 0.248 331 I C 2.624 178.789 176.117 0.080 0.000 1.115 331 I CA 1.020 62.291 61.300 -0.049 0.000 1.392 331 I CB -0.447 37.469 38.000 -0.141 0.000 1.065 331 I HN 0.258 nan 8.210 nan 0.000 0.418 332 A N 0.534 123.417 122.820 0.105 0.000 1.858 332 A HA -0.226 4.094 4.320 0.001 0.000 0.216 332 A C 2.393 180.058 177.584 0.134 0.000 1.190 332 A CA 1.535 53.671 52.037 0.164 0.000 0.617 332 A CB -0.477 18.631 19.000 0.179 0.000 0.827 332 A HN 0.193 nan 8.150 nan 0.000 0.443 333 K N -0.318 120.130 120.400 0.079 0.000 2.211 333 K HA -0.026 4.295 4.320 0.001 0.000 0.203 333 K C 2.109 178.744 176.600 0.058 0.000 1.050 333 K CA 1.093 57.410 56.287 0.049 0.000 0.945 333 K CB -0.274 32.230 32.500 0.006 0.000 0.732 333 K HN 0.428 nan 8.250 nan 0.000 0.451 334 A N 0.449 123.312 122.820 0.072 0.000 1.843 334 A HA -0.119 4.202 4.320 0.001 0.000 0.213 334 A C 1.991 179.644 177.584 0.115 0.000 1.202 334 A CA 0.852 52.937 52.037 0.078 0.000 0.607 334 A CB -0.775 18.267 19.000 0.071 0.000 0.847 334 A HN 0.308 nan 8.150 nan 0.000 0.445 335 F N 1.049 121.000 119.950 0.003 0.000 2.102 335 F HA -0.059 4.469 4.527 0.001 0.000 0.298 335 F C 2.593 178.398 175.800 0.008 0.000 1.105 335 F CA 1.086 59.090 58.000 0.006 0.000 1.239 335 F CB -0.569 38.436 39.000 0.009 0.000 0.991 335 F HN 0.246 nan 8.300 nan 0.000 0.474 336 A N 0.129 122.941 122.820 -0.013 0.000 1.883 336 A HA -0.091 4.230 4.320 0.001 0.000 0.217 336 A C 2.519 179.996 177.584 -0.180 0.000 1.186 336 A CA 1.846 53.816 52.037 -0.112 0.000 0.624 336 A CB -1.796 17.195 19.000 -0.015 0.000 0.822 336 A HN 0.496 nan 8.150 nan 0.000 0.444 337 G N -0.449 108.298 108.800 -0.088 0.000 2.418 337 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 337 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 337 G C 1.116 175.976 174.900 -0.067 0.000 1.158 337 G CA 1.271 46.352 45.100 -0.031 0.000 0.771 337 G HN 0.461 nan 8.290 nan 0.000 0.545 338 D N 0.690 121.025 120.400 -0.108 0.000 2.144 338 D HA -0.099 4.542 4.640 0.001 0.000 0.200 338 D C 2.496 178.683 176.300 -0.188 0.000 0.978 338 D CA 1.082 55.012 54.000 -0.117 0.000 0.833 338 D CB -0.232 40.516 40.800 -0.086 0.000 0.961 338 D HN 0.553 nan 8.370 nan 0.000 0.470 339 I N -1.821 118.545 120.570 -0.340 0.000 3.059 339 I HA 0.187 4.357 4.170 0.001 0.000 0.270 339 I C 1.967 177.962 176.117 -0.203 0.000 1.238 339 I CA 0.500 61.603 61.300 -0.328 0.000 1.478 339 I CB -0.337 37.340 38.000 -0.538 0.000 1.097 339 I HN -0.144 nan 8.210 nan 0.000 0.455 340 A N 1.466 124.176 122.820 -0.182 0.000 1.929 340 A HA -0.127 4.193 4.320 0.001 0.000 0.216 340 A C 2.035 179.572 177.584 -0.079 0.000 1.176 340 A CA 1.883 53.837 52.037 -0.138 0.000 0.628 340 A CB -1.034 17.852 19.000 -0.189 0.000 0.816 340 A HN 0.521 nan 8.150 nan 0.000 0.444 341 N N -0.225 118.439 118.700 -0.060 0.000 2.120 341 N HA -0.150 4.590 4.740 0.001 0.000 0.188 341 N C 1.971 177.457 175.510 -0.041 0.000 1.024 341 N CA 1.683 54.713 53.050 -0.034 0.000 0.852 341 N CB -0.244 38.228 38.487 -0.024 0.000 1.003 341 N HN 0.638 nan 8.380 nan 0.000 0.424 342 Q N -0.202 119.563 119.800 -0.059 0.000 2.020 342 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 342 Q C 1.759 177.735 176.000 -0.039 0.000 0.982 342 Q CA 1.020 56.794 55.803 -0.048 0.000 0.838 342 Q CB -0.151 28.548 28.738 -0.065 0.000 0.899 342 Q HN 0.252 nan 8.270 nan 0.000 0.423 343 L N 0.388 121.580 121.223 -0.052 0.000 2.083 343 L HA -0.187 4.153 4.340 0.001 0.000 0.209 343 L C 2.279 179.129 176.870 -0.033 0.000 1.083 343 L CA 1.725 56.541 54.840 -0.039 0.000 0.752 343 L CB -0.788 41.241 42.059 -0.050 0.000 0.899 343 L HN 0.191 nan 8.230 nan 0.000 0.433 344 A N -1.749 121.049 122.820 -0.036 0.000 1.858 344 A HA -0.251 4.070 4.320 0.001 0.000 0.216 344 A C 2.493 180.064 177.584 -0.020 0.000 1.190 344 A CA 2.364 54.383 52.037 -0.030 0.000 0.617 344 A CB -1.111 17.874 19.000 -0.026 0.000 0.827 344 A HN 0.375 nan 8.150 nan 0.000 0.443 345 T N -0.785 113.761 114.554 -0.015 0.000 2.821 345 T HA -0.126 4.225 4.350 0.001 0.000 0.267 345 T C 1.513 176.208 174.700 -0.007 0.000 1.046 345 T CA 1.771 63.868 62.100 -0.005 0.000 1.139 345 T CB -0.561 68.306 68.868 -0.002 0.000 0.871 345 T HN 0.431 nan 8.240 nan 0.000 0.454 346 D N 1.011 121.405 120.400 -0.010 0.000 2.117 346 D HA 0.011 4.652 4.640 0.001 0.000 0.197 346 D C 2.316 178.609 176.300 -0.012 0.000 0.987 346 D CA 1.261 55.258 54.000 -0.005 0.000 0.829 346 D CB -0.568 40.234 40.800 0.002 0.000 0.961 346 D HN 0.508 nan 8.370 nan 0.000 0.460 347 A N 0.550 123.358 122.820 -0.020 0.000 1.877 347 A HA -0.153 4.167 4.320 0.001 0.000 0.216 347 A C 2.538 180.083 177.584 -0.064 0.000 1.186 347 A CA 1.362 53.377 52.037 -0.035 0.000 0.620 347 A CB -0.873 18.105 19.000 -0.037 0.000 0.822 347 A HN 0.133 nan 8.150 nan 0.000 0.443 348 V N -0.022 119.864 119.914 -0.046 0.000 2.231 348 V HA -0.359 3.762 4.120 0.001 0.000 0.248 348 V C 2.790 178.846 176.094 -0.063 0.000 1.054 348 V CA 2.629 64.902 62.300 -0.045 0.000 1.015 348 V CB -0.877 30.954 31.823 0.015 0.000 0.638 348 V HN 0.742 nan 8.190 nan 0.000 0.444 349 Q N -0.003 119.776 119.800 -0.035 0.000 2.077 349 Q HA -0.229 4.111 4.340 0.001 0.000 0.206 349 Q C 1.893 177.870 176.000 -0.040 0.000 0.989 349 Q CA 2.297 58.080 55.803 -0.033 0.000 0.853 349 Q CB -0.580 28.149 28.738 -0.015 0.000 0.907 349 Q HN 0.677 nan 8.270 nan 0.000 0.418 350 I N -0.488 120.062 120.570 -0.034 0.000 2.286 350 I HA -0.231 3.939 4.170 0.001 0.000 0.248 350 I C 1.191 177.265 176.117 -0.071 0.000 1.115 350 I CA 0.496 61.793 61.300 -0.004 0.000 1.392 350 I CB -0.080 37.938 38.000 0.029 0.000 1.065 350 I HN 0.191 nan 8.210 nan 0.000 0.418 351 L N 0.915 121.976 121.223 -0.270 0.000 2.675 351 L HA 0.114 4.455 4.340 0.001 0.000 0.239 351 L C 1.592 178.256 176.870 -0.343 0.000 1.151 351 L CA 0.797 55.251 54.840 -0.644 0.000 0.905 351 L CB -1.526 40.032 42.059 -0.834 0.000 1.057 351 L HN 0.351 nan 8.230 nan 0.000 0.435 352 G N 0.069 108.784 108.800 -0.140 0.000 2.684 352 G HA2 -0.423 3.537 3.960 0.001 0.000 0.332 352 G HA3 -0.423 3.537 3.960 0.001 0.000 0.332 352 G C 1.191 176.030 174.900 -0.102 0.000 1.306 352 G CA 0.412 45.462 45.100 -0.084 0.000 1.002 352 G HN 0.438 nan 8.290 nan 0.000 0.545 353 G N -0.155 108.596 108.800 -0.082 0.000 2.404 353 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 353 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 353 G C 1.613 176.468 174.900 -0.074 0.000 1.174 353 G CA 1.489 46.559 45.100 -0.051 0.000 0.780 353 G HN 0.681 nan 8.290 nan 0.000 0.537 354 N N 1.305 119.867 118.700 -0.231 0.000 2.091 354 N HA -0.148 4.593 4.740 0.001 0.000 0.193 354 N C 2.333 177.547 175.510 -0.493 0.000 1.021 354 N CA 1.507 54.221 53.050 -0.560 0.000 0.862 354 N CB -0.720 37.115 38.487 -1.086 0.000 1.018 354 N HN 0.337 nan 8.380 nan 0.000 0.429 355 G N -0.131 108.454 108.800 -0.358 0.000 2.422 355 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 355 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 355 G C 1.239 176.141 174.900 0.003 0.000 1.146 355 G CA 0.104 45.089 45.100 -0.191 0.000 0.769 355 G HN 0.296 nan 8.290 nan 0.000 0.547 356 F N 1.378 121.256 119.950 -0.120 0.000 2.748 356 F HA 0.219 4.747 4.527 0.001 0.000 0.299 356 F C 1.063 176.847 175.800 -0.027 0.000 1.154 356 F CA -0.399 57.564 58.000 -0.062 0.000 1.446 356 F CB 0.025 38.991 39.000 -0.057 0.000 1.112 356 F HN 0.038 nan 8.300 nan 0.000 0.584 357 N N -0.316 118.407 118.700 0.039 0.000 2.487 357 N HA 0.022 4.763 4.740 0.001 0.000 0.292 357 N C 0.662 176.208 175.510 0.060 0.000 1.108 357 N CA 0.151 53.227 53.050 0.044 0.000 0.956 357 N CB 1.723 40.298 38.487 0.145 0.000 1.176 357 N HN -0.092 nan 8.380 nan 0.000 0.484 358 T N 1.553 116.111 114.554 0.007 0.000 3.055 358 T HA -0.011 4.339 4.350 0.001 0.000 0.265 358 T C 0.895 175.599 174.700 0.007 0.000 1.111 358 T CA 0.889 62.978 62.100 -0.019 0.000 1.118 358 T CB 0.065 68.901 68.868 -0.053 0.000 0.909 358 T HN 0.591 nan 8.240 nan 0.000 0.501 359 E N -0.211 120.014 120.200 0.041 0.000 2.489 359 E HA 0.050 4.401 4.350 0.001 0.000 0.193 359 E C -0.506 175.985 176.600 -0.182 0.000 1.057 359 E CA 0.217 56.579 56.400 -0.063 0.000 0.866 359 E CB 0.191 29.836 29.700 -0.091 0.000 0.916 359 E HN 0.513 nan 8.360 nan 0.000 0.500 360 Y N 0.636 120.917 120.300 -0.032 0.000 2.457 360 Y HA 0.186 4.736 4.550 0.001 0.000 0.333 360 Y C -1.408 174.462 175.900 -0.051 0.000 1.119 360 Y CA -2.695 55.383 58.100 -0.036 0.000 1.143 360 Y CB 0.893 39.323 38.460 -0.050 0.000 1.230 360 Y HN -0.172 nan 8.280 nan 0.000 0.469 361 P HA -0.152 nan 4.420 nan 0.000 0.219 361 P C 1.397 178.697 177.300 -0.001 0.000 1.150 361 P CA 1.571 64.680 63.100 0.015 0.000 0.814 361 P CB -0.001 31.695 31.700 -0.006 0.000 0.787 362 V N -0.353 119.566 119.914 0.009 0.000 2.379 362 V HA -0.236 3.884 4.120 0.001 0.000 0.245 362 V C 2.311 178.388 176.094 -0.028 0.000 1.044 362 V CA 2.014 64.300 62.300 -0.024 0.000 1.036 362 V CB -1.972 29.827 31.823 -0.040 0.000 0.664 362 V HN 0.110 nan 8.190 nan 0.000 0.453 363 E N 2.553 122.735 120.200 -0.029 0.000 2.097 363 E HA -0.309 4.042 4.350 0.001 0.000 0.196 363 E C 2.095 178.664 176.600 -0.051 0.000 1.000 363 E CA 2.221 58.590 56.400 -0.053 0.000 0.804 363 E CB -0.827 28.799 29.700 -0.122 0.000 0.740 363 E HN 0.728 nan 8.360 nan 0.000 0.454 364 K N 0.892 121.264 120.400 -0.045 0.000 2.103 364 K HA -0.132 4.188 4.320 0.001 0.000 0.207 364 K C 2.087 178.668 176.600 -0.032 0.000 1.048 364 K CA 1.609 57.872 56.287 -0.040 0.000 0.930 364 K CB -0.226 32.255 32.500 -0.032 0.000 0.716 364 K HN 0.270 nan 8.250 nan 0.000 0.444 365 L N 0.391 121.594 121.223 -0.033 0.000 2.141 365 L HA -0.133 4.207 4.340 0.001 0.000 0.209 365 L C 2.739 179.598 176.870 -0.019 0.000 1.094 365 L CA 1.013 55.835 54.840 -0.030 0.000 0.763 365 L CB -0.354 41.677 42.059 -0.048 0.000 0.908 365 L HN 0.358 nan 8.230 nan 0.000 0.437 366 M N -0.407 119.179 119.600 -0.023 0.000 2.200 366 M HA -0.138 4.343 4.480 0.001 0.000 0.265 366 M C 2.425 178.712 176.300 -0.021 0.000 1.066 366 M CA 1.554 56.844 55.300 -0.016 0.000 1.127 366 M CB 0.044 32.638 32.600 -0.010 0.000 1.379 366 M HN 0.099 nan 8.290 nan 0.000 0.420 367 R N -0.187 120.293 120.500 -0.032 0.000 2.093 367 R HA -0.077 4.263 4.340 0.001 0.000 0.224 367 R C 1.553 177.823 176.300 -0.051 0.000 1.101 367 R CA 1.283 57.356 56.100 -0.045 0.000 0.979 367 R CB -0.327 29.942 30.300 -0.051 0.000 0.877 367 R HN 0.370 nan 8.270 nan 0.000 0.441 368 D N 0.972 121.354 120.400 -0.031 0.000 2.117 368 D HA -0.104 4.536 4.640 0.001 0.000 0.197 368 D C 1.798 178.103 176.300 0.008 0.000 0.987 368 D CA 1.536 55.524 54.000 -0.020 0.000 0.829 368 D CB -0.180 40.632 40.800 0.019 0.000 0.961 368 D HN 0.210 nan 8.370 nan 0.000 0.460 369 A N 0.606 123.457 122.820 0.052 0.000 1.929 369 A HA -0.151 4.169 4.320 0.001 0.000 0.216 369 A C 2.034 179.683 177.584 0.108 0.000 1.176 369 A CA 1.683 53.811 52.037 0.153 0.000 0.628 369 A CB -0.392 18.651 19.000 0.072 0.000 0.816 369 A HN 0.110 nan 8.150 nan 0.000 0.444 370 K N 0.008 120.404 120.400 -0.007 0.000 2.160 370 K HA -0.163 4.158 4.320 0.001 0.000 0.206 370 K C 1.477 178.008 176.600 -0.115 0.000 1.047 370 K CA 1.581 57.839 56.287 -0.048 0.000 0.930 370 K CB -0.544 31.912 32.500 -0.074 0.000 0.720 370 K HN 0.351 nan 8.250 nan 0.000 0.450 371 I N 0.327 120.750 120.570 -0.246 0.000 2.454 371 I HA -0.205 3.966 4.170 0.001 0.000 0.254 371 I C 1.064 176.923 176.117 -0.429 0.000 1.156 371 I CA 1.327 62.329 61.300 -0.497 0.000 1.433 371 I CB -0.352 37.160 38.000 -0.813 0.000 1.082 371 I HN 0.218 nan 8.210 nan 0.000 0.432 372 Y N 0.366 120.619 120.300 -0.078 0.000 2.403 372 Y HA -0.151 4.400 4.550 0.001 0.000 0.291 372 Y C 2.305 178.232 175.900 0.044 0.000 1.143 372 Y CA 1.233 59.380 58.100 0.077 0.000 1.257 372 Y CB -0.533 37.951 38.460 0.039 0.000 0.984 372 Y HN 0.346 nan 8.280 nan 0.000 0.550 373 Q N -0.994 118.867 119.800 0.102 0.000 2.360 373 Q HA 0.050 4.390 4.340 0.001 0.000 0.202 373 Q C 1.058 177.065 176.000 0.012 0.000 0.915 373 Q CA 0.173 56.007 55.803 0.050 0.000 0.943 373 Q CB 0.426 29.175 28.738 0.018 0.000 1.064 373 Q HN 0.425 nan 8.270 nan 0.000 0.511 374 I N -0.789 119.774 120.570 -0.010 0.000 3.196 374 I HA 0.025 4.196 4.170 0.001 0.000 0.248 374 I C 0.965 177.105 176.117 0.039 0.000 1.105 374 I CA 0.415 61.688 61.300 -0.045 0.000 1.482 374 I CB -1.144 36.757 38.000 -0.164 0.000 1.400 374 I HN 0.019 nan 8.210 nan 0.000 0.464 375 Y N 1.878 122.073 120.300 -0.176 0.000 2.392 375 Y HA 0.448 4.998 4.550 0.001 0.000 0.323 375 Y C 0.629 176.419 175.900 -0.185 0.000 1.291 375 Y CA -2.347 55.646 58.100 -0.179 0.000 1.345 375 Y CB -0.199 38.141 38.460 -0.199 0.000 1.320 375 Y HN 0.204 nan 8.280 nan 0.000 0.518 376 E N 0.686 120.682 120.200 -0.340 0.000 2.328 376 E HA -0.165 4.186 4.350 0.001 0.000 0.233 376 E C 0.261 176.650 176.600 -0.352 0.000 1.219 376 E CA 1.656 57.752 56.400 -0.507 0.000 0.717 376 E CB -1.653 27.672 29.700 -0.624 0.000 1.210 376 E HN 1.434 nan 8.360 nan 0.000 0.381 377 G N 0.274 108.946 108.800 -0.213 0.000 3.402 377 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 377 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 377 G C 0.282 175.153 174.900 -0.050 0.000 0.983 377 G CA 0.226 45.251 45.100 -0.126 0.000 0.821 377 G HN 0.648 nan 8.290 nan 0.000 0.500 378 T N 0.708 115.252 114.554 -0.017 0.000 2.856 378 T HA 0.384 4.734 4.350 0.001 0.000 0.329 378 T C 1.894 176.599 174.700 0.007 0.000 1.094 378 T CA 0.941 63.041 62.100 -0.000 0.000 1.112 378 T CB 1.236 70.105 68.868 0.001 0.000 1.009 378 T HN 1.280 nan 8.240 nan 0.000 0.550 379 S N 1.444 117.153 115.700 0.015 0.000 2.389 379 S HA -0.220 4.251 4.470 0.001 0.000 0.231 379 S C 2.208 176.820 174.600 0.020 0.000 1.052 379 S CA 2.014 60.226 58.200 0.020 0.000 1.053 379 S CB -0.546 62.666 63.200 0.019 0.000 0.886 379 S HN 0.830 nan 8.310 nan 0.000 0.456 380 Q N 0.369 120.180 119.800 0.018 0.000 2.079 380 Q HA 0.081 4.421 4.340 0.001 0.000 0.200 380 Q C 2.132 178.148 176.000 0.027 0.000 0.974 380 Q CA 0.959 56.776 55.803 0.022 0.000 0.840 380 Q CB -0.283 28.468 28.738 0.021 0.000 0.898 380 Q HN 0.395 nan 8.270 nan 0.000 0.430 381 I N 0.754 121.339 120.570 0.025 0.000 2.264 381 I HA -0.258 3.912 4.170 0.001 0.000 0.248 381 I C 2.006 178.142 176.117 0.032 0.000 1.111 381 I CA 1.436 62.755 61.300 0.032 0.000 1.382 381 I CB -1.059 36.956 38.000 0.025 0.000 1.060 381 I HN 0.327 nan 8.210 nan 0.000 0.418 382 Q N 0.432 120.244 119.800 0.020 0.000 2.084 382 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 382 Q C 2.382 178.398 176.000 0.026 0.000 0.978 382 Q CA 1.356 57.170 55.803 0.019 0.000 0.844 382 Q CB -0.411 28.335 28.738 0.012 0.000 0.898 382 Q HN 0.494 nan 8.270 nan 0.000 0.426 383 R N 0.242 120.759 120.500 0.028 0.000 2.096 383 R HA -0.059 4.281 4.340 0.001 0.000 0.235 383 R C 2.503 178.831 176.300 0.046 0.000 1.127 383 R CA 0.899 57.017 56.100 0.030 0.000 0.968 383 R CB -0.352 29.965 30.300 0.028 0.000 0.861 383 R HN 0.191 nan 8.270 nan 0.000 0.440 384 L N 0.169 121.421 121.223 0.049 0.000 2.046 384 L HA -0.198 4.143 4.340 0.001 0.000 0.208 384 L C 2.297 179.213 176.870 0.077 0.000 1.077 384 L CA 1.338 56.215 54.840 0.062 0.000 0.747 384 L CB -0.453 41.643 42.059 0.061 0.000 0.896 384 L HN 0.183 nan 8.230 nan 0.000 0.432 385 I N -0.881 119.735 120.570 0.077 0.000 2.179 385 I HA -0.269 3.901 4.170 0.001 0.000 0.242 385 I C 2.454 178.639 176.117 0.115 0.000 1.088 385 I CA 1.101 62.457 61.300 0.094 0.000 1.357 385 I CB -0.318 37.733 38.000 0.085 0.000 1.051 385 I HN 0.009 nan 8.210 nan 0.000 0.409 386 V N 0.951 120.918 119.914 0.089 0.000 2.295 386 V HA -0.291 3.830 4.120 0.001 0.000 0.246 386 V C 2.735 178.947 176.094 0.196 0.000 1.049 386 V CA 1.939 64.303 62.300 0.106 0.000 1.024 386 V CB -1.060 30.757 31.823 -0.011 0.000 0.648 386 V HN 0.496 nan 8.190 nan 0.000 0.447 387 A N 0.382 123.287 122.820 0.141 0.000 1.873 387 A HA -0.302 4.018 4.320 0.001 0.000 0.218 387 A C 2.448 180.138 177.584 0.176 0.000 1.193 387 A CA 2.326 54.461 52.037 0.164 0.000 0.629 387 A CB -0.678 18.384 19.000 0.104 0.000 0.826 387 A HN 0.455 nan 8.150 nan 0.000 0.447 388 R N -0.550 120.031 120.500 0.135 0.000 2.083 388 R HA -0.167 4.174 4.340 0.001 0.000 0.237 388 R C 1.838 178.211 176.300 0.120 0.000 1.137 388 R CA 1.843 58.010 56.100 0.111 0.000 0.951 388 R CB -0.394 29.964 30.300 0.097 0.000 0.851 388 R HN 0.493 nan 8.270 nan 0.000 0.434 389 E N -0.051 120.248 120.200 0.164 0.000 2.077 389 E HA -0.211 4.140 4.350 0.001 0.000 0.193 389 E C 1.878 178.547 176.600 0.114 0.000 0.989 389 E CA 1.510 58.002 56.400 0.153 0.000 0.800 389 E CB -0.637 29.227 29.700 0.275 0.000 0.746 389 E HN 0.562 nan 8.360 nan 0.000 0.452 390 H N 0.701 119.854 119.070 0.138 0.000 2.293 390 H HA -0.016 4.541 4.556 0.001 0.000 0.300 390 H C 2.153 177.580 175.328 0.166 0.000 1.082 390 H CA 1.837 57.961 56.048 0.126 0.000 1.308 390 H CB -0.472 29.414 29.762 0.207 0.000 1.375 390 H HN 0.055 nan 8.280 nan 0.000 0.495 391 I N 0.470 120.998 120.570 -0.069 0.000 2.335 391 I HA -0.246 3.925 4.170 0.001 0.000 0.251 391 I C 1.618 177.744 176.117 0.015 0.000 1.129 391 I CA 1.478 62.715 61.300 -0.105 0.000 1.402 391 I CB -0.208 37.782 38.000 -0.017 0.000 1.069 391 I HN 0.344 nan 8.210 nan 0.000 0.424 392 D N 0.881 121.291 120.400 0.017 0.000 2.219 392 D HA -0.136 4.505 4.640 0.001 0.000 0.205 392 D C 2.036 178.326 176.300 -0.015 0.000 0.970 392 D CA 0.882 54.889 54.000 0.011 0.000 0.851 392 D CB -0.111 40.694 40.800 0.008 0.000 0.943 392 D HN 0.301 nan 8.370 nan 0.000 0.488 393 K N -0.463 119.906 120.400 -0.051 0.000 2.360 393 K HA -0.153 4.168 4.320 0.001 0.000 0.201 393 K C 1.130 177.583 176.600 -0.245 0.000 1.046 393 K CA 0.850 57.031 56.287 -0.176 0.000 0.940 393 K CB -0.002 32.322 32.500 -0.293 0.000 0.748 393 K HN 0.337 nan 8.250 nan 0.000 0.465 394 Y N 0.738 120.954 120.300 -0.140 0.000 2.498 394 Y HA 0.133 4.683 4.550 0.001 0.000 0.259 394 Y C 0.335 176.195 175.900 -0.068 0.000 1.086 394 Y CA -0.262 57.774 58.100 -0.106 0.000 1.287 394 Y CB 0.454 38.834 38.460 -0.134 0.000 1.146 394 Y HN -0.230 nan 8.280 nan 0.000 0.523 395 K N 2.053 122.503 120.400 0.084 0.000 2.412 395 K HA 0.054 4.375 4.320 0.001 0.000 0.281 395 K C -0.406 176.200 176.600 0.010 0.000 1.027 395 K CA 0.091 56.400 56.287 0.038 0.000 0.989 395 K CB 0.517 33.033 32.500 0.026 0.000 0.935 395 K HN 0.101 nan 8.250 nan 0.000 0.475 396 N N 0.000 118.704 118.700 0.007 0.000 1.763 396 N HA 0.000 4.740 4.740 0.001 0.000 0.220 396 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 396 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 396 N HN 0.000 nan 8.380 nan 0.000 0.667