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 1e94_1_E DATA FIRST_RESID 1 DATA SEQUENCE HSEMTPREIV SELDKHIIGQ DNAKRSVAIA LRNRWRRMQL NEELRHEVTP DATA SEQUENCE KNILMIGPTG VGKTEIARRL AKLANAPFIK VEATKFTEVG YVGKEVDSII DATA SEQUENCE RDLTDAAVKM VRVQAIEKNR YRAEELAEER ILDVLIPPAK NNWGQTEQQQ DATA SEQUENCE EPSAARQAFR KKLREGQLDD KEIEXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXK QKARKLKIKD AMKLLIEEEA AKLVNPEELK QDAIDAVEQH DATA SEQUENCE GIVFIDEIDK ICKRGESSGP DVSREGVQRD LLPLVEGCTV STKHGMVKTD DATA SEQUENCE HILFIASGAF QIAKPSDLIP ELQGRLPIRV ELQALTTSDF ERILTEPNAS DATA SEQUENCE ITVQYKALMA TEGVNIEFTD SGIKRIAEAA WQVNESTENI GARRLHTVLE DATA SEQUENCE RLMEEISYDA SDLSGQNITI DADYVSKHLD ALVADEDLSR FIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.359 175.328 0.052 0.000 0.993 1 H CA 0.000 56.071 56.048 0.038 0.000 1.023 1 H CB 0.000 29.622 29.762 -0.234 0.000 1.292 2 S N 1.183 116.935 115.700 0.086 0.000 2.580 2 S HA 0.021 4.491 4.470 -0.000 0.000 0.266 2 S C 0.522 175.085 174.600 -0.062 0.000 1.354 2 S CA 0.059 58.248 58.200 -0.019 0.000 1.008 2 S CB 1.124 64.294 63.200 -0.050 0.000 0.898 2 S HN 0.488 nan 8.310 nan 0.000 0.555 3 E N 0.424 120.529 120.200 -0.159 0.000 2.569 3 E HA 0.201 4.551 4.350 -0.000 0.000 0.205 3 E C -0.462 175.897 176.600 -0.401 0.000 1.006 3 E CA -0.187 55.978 56.400 -0.392 0.000 0.985 3 E CB 0.103 29.652 29.700 -0.251 0.000 1.060 3 E HN 0.604 nan 8.360 nan 0.000 0.460 4 M N 2.488 121.936 119.600 -0.253 0.000 2.238 4 M HA 0.021 4.501 4.480 -0.000 0.000 0.350 4 M C 0.777 176.940 176.300 -0.229 0.000 1.321 4 M CA 0.260 55.444 55.300 -0.195 0.000 1.097 4 M CB 0.534 33.063 32.600 -0.117 0.000 1.713 4 M HN 0.070 nan 8.290 nan 0.000 0.455 5 T N 1.193 115.626 114.554 -0.202 0.000 2.802 5 T HA 0.171 4.521 4.350 -0.000 0.000 0.305 5 T C -2.065 172.573 174.700 -0.102 0.000 1.053 5 T CA -1.439 60.556 62.100 -0.175 0.000 1.058 5 T CB 0.365 69.155 68.868 -0.130 0.000 0.988 5 T HN 0.416 nan 8.240 nan 0.000 0.539 6 P HA -0.091 nan 4.420 nan 0.000 0.216 6 P C 1.713 178.998 177.300 -0.024 0.000 1.153 6 P CA 1.226 64.308 63.100 -0.029 0.000 0.858 6 P CB 0.052 31.747 31.700 -0.008 0.000 0.789 7 R N -0.380 120.103 120.500 -0.028 0.000 2.081 7 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 7 R C 2.277 178.560 176.300 -0.027 0.000 1.131 7 R CA 1.309 57.397 56.100 -0.021 0.000 0.960 7 R CB -0.641 29.646 30.300 -0.021 0.000 0.856 7 R HN 0.304 nan 8.270 nan 0.000 0.436 8 E N 0.605 120.780 120.200 -0.042 0.000 2.118 8 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 8 E C 1.889 178.468 176.600 -0.035 0.000 0.992 8 E CA 1.197 57.570 56.400 -0.045 0.000 0.804 8 E CB -0.044 29.615 29.700 -0.068 0.000 0.741 8 E HN 0.322 nan 8.360 nan 0.000 0.458 9 I N -0.073 120.477 120.570 -0.034 0.000 2.286 9 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 9 I C 2.177 178.292 176.117 -0.004 0.000 1.104 9 I CA 0.573 61.861 61.300 -0.019 0.000 1.397 9 I CB -0.091 37.900 38.000 -0.015 0.000 1.072 9 I HN 0.003 nan 8.210 nan 0.000 0.417 10 V N -0.238 119.674 119.914 -0.003 0.000 2.407 10 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 10 V C 2.561 178.657 176.094 0.003 0.000 1.055 10 V CA 2.013 64.316 62.300 0.006 0.000 1.049 10 V CB -0.486 31.340 31.823 0.006 0.000 0.662 10 V HN 0.372 nan 8.190 nan 0.000 0.455 11 S N -0.608 115.088 115.700 -0.006 0.000 2.368 11 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 11 S C 2.055 176.647 174.600 -0.012 0.000 1.029 11 S CA 1.665 59.857 58.200 -0.013 0.000 0.988 11 S CB -0.201 62.987 63.200 -0.019 0.000 0.838 11 S HN 0.662 nan 8.310 nan 0.000 0.462 12 E N 0.594 120.793 120.200 -0.002 0.000 2.204 12 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 12 E C 1.635 178.271 176.600 0.061 0.000 0.989 12 E CA 0.617 57.027 56.400 0.017 0.000 0.824 12 E CB -0.238 29.470 29.700 0.014 0.000 0.756 12 E HN 0.294 nan 8.360 nan 0.000 0.477 13 L N 0.580 121.833 121.223 0.049 0.000 2.209 13 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 13 L C 1.300 178.202 176.870 0.052 0.000 1.094 13 L CA 1.322 56.208 54.840 0.077 0.000 0.790 13 L CB -0.475 41.611 42.059 0.045 0.000 0.932 13 L HN 0.043 nan 8.230 nan 0.000 0.447 14 D N -0.202 120.204 120.400 0.010 0.000 2.311 14 D HA -0.169 4.471 4.640 -0.000 0.000 0.212 14 D C 1.915 178.176 176.300 -0.064 0.000 0.972 14 D CA 0.794 54.786 54.000 -0.013 0.000 0.887 14 D CB 0.085 40.874 40.800 -0.018 0.000 0.915 14 D HN 0.298 nan 8.370 nan 0.000 0.497 15 K N -0.615 119.710 120.400 -0.123 0.000 2.439 15 K HA -0.047 4.273 4.320 -0.000 0.000 0.197 15 K C 1.131 177.372 176.600 -0.598 0.000 1.041 15 K CA 0.744 56.827 56.287 -0.340 0.000 0.970 15 K CB 0.243 32.490 32.500 -0.423 0.000 0.773 15 K HN 0.370 nan 8.250 nan 0.000 0.479 16 H N -1.359 117.703 119.070 -0.014 0.000 3.400 16 H HA 0.211 4.767 4.556 -0.000 0.000 0.251 16 H C -0.227 175.098 175.328 -0.006 0.000 1.040 16 H CA -0.021 56.018 56.048 -0.015 0.000 1.175 16 H CB 0.968 30.712 29.762 -0.030 0.000 1.487 16 H HN -0.057 nan 8.280 nan 0.000 0.505 17 I N 2.690 123.314 120.570 0.090 0.000 2.389 17 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 17 I C -0.225 175.920 176.117 0.045 0.000 0.999 17 I CA -0.513 60.828 61.300 0.067 0.000 1.129 17 I CB 1.935 39.974 38.000 0.065 0.000 1.288 17 I HN -0.085 nan 8.210 nan 0.000 0.444 18 I N 5.799 126.399 120.570 0.050 0.000 2.471 18 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 18 I C 1.214 177.364 176.117 0.054 0.000 1.079 18 I CA 0.493 61.821 61.300 0.047 0.000 1.398 18 I CB -0.376 37.660 38.000 0.059 0.000 1.403 18 I HN 0.856 nan 8.210 nan 0.000 0.530 19 G N 6.592 115.417 108.800 0.042 0.000 2.601 19 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 19 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 19 G C -0.210 174.719 174.900 0.048 0.000 1.294 19 G CA -0.167 44.959 45.100 0.044 0.000 0.912 19 G HN 0.711 nan 8.290 nan 0.000 0.574 20 Q N -1.432 118.400 119.800 0.052 0.000 2.453 20 Q HA -0.211 4.129 4.340 -0.000 0.000 0.330 20 Q C 0.621 176.650 176.000 0.048 0.000 1.417 20 Q CA 1.651 57.488 55.803 0.056 0.000 0.902 20 Q CB -1.730 27.049 28.738 0.068 0.000 1.154 20 Q HN 0.948 nan 8.270 nan 0.000 0.395 21 D N 0.436 120.859 120.400 0.039 0.000 2.149 21 D HA -0.056 4.583 4.640 -0.000 0.000 0.201 21 D C 1.441 177.762 176.300 0.035 0.000 0.972 21 D CA 1.607 55.627 54.000 0.033 0.000 0.835 21 D CB 0.136 40.950 40.800 0.025 0.000 0.966 21 D HN 0.546 nan 8.370 nan 0.000 0.476 22 N N -0.539 118.183 118.700 0.037 0.000 2.166 22 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 22 N C 1.676 177.213 175.510 0.046 0.000 1.019 22 N CA 0.903 53.976 53.050 0.037 0.000 0.856 22 N CB -0.050 38.459 38.487 0.036 0.000 0.993 22 N HN 0.168 nan 8.380 nan 0.000 0.426 23 A N 1.162 124.015 122.820 0.055 0.000 1.968 23 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 23 A C 1.994 179.618 177.584 0.066 0.000 1.169 23 A CA 1.127 53.205 52.037 0.069 0.000 0.638 23 A CB -0.117 18.932 19.000 0.083 0.000 0.812 23 A HN 0.161 nan 8.150 nan 0.000 0.446 24 K N -0.388 120.045 120.400 0.054 0.000 2.025 24 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 24 K C 2.251 178.876 176.600 0.042 0.000 1.049 24 K CA 1.347 57.662 56.287 0.047 0.000 0.933 24 K CB -0.166 32.357 32.500 0.038 0.000 0.714 24 K HN 0.378 nan 8.250 nan 0.000 0.438 25 R N 0.298 120.820 120.500 0.038 0.000 2.096 25 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 25 R C 2.451 178.776 176.300 0.041 0.000 1.127 25 R CA 1.353 57.473 56.100 0.034 0.000 0.968 25 R CB -0.239 30.078 30.300 0.029 0.000 0.861 25 R HN 0.053 nan 8.270 nan 0.000 0.440 26 S N 0.303 116.032 115.700 0.049 0.000 2.355 26 S HA -0.091 4.379 4.470 -0.000 0.000 0.222 26 S C 1.980 176.619 174.600 0.065 0.000 1.031 26 S CA 1.005 59.238 58.200 0.055 0.000 0.993 26 S CB -0.118 63.118 63.200 0.059 0.000 0.859 26 S HN 0.108 nan 8.310 nan 0.000 0.453 27 V N 1.540 121.497 119.914 0.071 0.000 2.667 27 V HA -0.094 4.026 4.120 -0.000 0.000 0.252 27 V C 2.313 178.446 176.094 0.066 0.000 1.065 27 V CA 1.412 63.760 62.300 0.080 0.000 1.083 27 V CB -0.751 31.124 31.823 0.087 0.000 0.692 27 V HN 0.485 nan 8.190 nan 0.000 0.468 28 A N 0.228 123.078 122.820 0.051 0.000 1.835 28 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 28 A C 2.071 179.683 177.584 0.047 0.000 1.199 28 A CA 2.070 54.130 52.037 0.038 0.000 0.615 28 A CB -0.651 18.364 19.000 0.025 0.000 0.838 28 A HN 0.484 nan 8.150 nan 0.000 0.444 29 I N 0.078 120.678 120.570 0.050 0.000 2.236 29 I HA -0.379 3.790 4.170 -0.000 0.000 0.249 29 I C 2.935 179.100 176.117 0.079 0.000 1.102 29 I CA 1.203 62.540 61.300 0.061 0.000 1.365 29 I CB -0.424 37.611 38.000 0.058 0.000 1.051 29 I HN 0.404 nan 8.210 nan 0.000 0.420 30 A N 0.811 123.679 122.820 0.081 0.000 1.865 30 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 30 A C 2.386 180.033 177.584 0.105 0.000 1.191 30 A CA 1.549 53.643 52.037 0.095 0.000 0.623 30 A CB -0.906 18.153 19.000 0.099 0.000 0.826 30 A HN 0.404 nan 8.150 nan 0.000 0.444 31 L N -1.206 120.074 121.223 0.095 0.000 1.989 31 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 31 L C 2.797 179.740 176.870 0.122 0.000 1.071 31 L CA 2.075 56.975 54.840 0.100 0.000 0.749 31 L CB -0.348 41.751 42.059 0.067 0.000 0.890 31 L HN 0.423 nan 8.230 nan 0.000 0.431 32 R N 0.684 121.243 120.500 0.097 0.000 2.154 32 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 32 R C 1.710 178.151 176.300 0.236 0.000 1.155 32 R CA 2.119 58.293 56.100 0.123 0.000 0.979 32 R CB -0.798 29.543 30.300 0.068 0.000 0.869 32 R HN 0.503 nan 8.270 nan 0.000 0.452 33 N N -0.586 118.223 118.700 0.181 0.000 2.244 33 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 33 N C 1.422 177.037 175.510 0.175 0.000 1.016 33 N CA 0.616 53.771 53.050 0.175 0.000 0.866 33 N CB 0.026 38.589 38.487 0.127 0.000 0.980 33 N HN 0.104 nan 8.380 nan 0.000 0.430 34 R N 0.320 120.931 120.500 0.184 0.000 2.094 34 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 34 R C 1.846 178.258 176.300 0.187 0.000 1.137 34 R CA 1.296 57.495 56.100 0.166 0.000 0.943 34 R CB -1.104 29.320 30.300 0.208 0.000 0.850 34 R HN 0.480 nan 8.270 nan 0.000 0.433 35 W N 2.103 123.437 121.300 0.057 0.000 2.353 35 W HA -0.174 4.486 4.660 -0.000 0.000 0.319 35 W C 2.325 178.864 176.519 0.033 0.000 1.207 35 W CA 1.554 58.931 57.345 0.053 0.000 1.291 35 W CB -0.309 29.181 29.460 0.050 0.000 1.159 35 W HN -0.029 nan 8.180 nan 0.000 0.478 36 R N -0.085 120.551 120.500 0.226 0.000 2.154 36 R HA -0.253 4.087 4.340 -0.000 0.000 0.248 36 R C 2.337 178.540 176.300 -0.161 0.000 1.155 36 R CA 1.993 58.061 56.100 -0.054 0.000 0.979 36 R CB -0.661 29.739 30.300 0.167 0.000 0.869 36 R HN 0.301 nan 8.270 nan 0.000 0.452 37 R N 0.493 120.947 120.500 -0.077 0.000 2.066 37 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 37 R C 2.080 178.283 176.300 -0.163 0.000 1.131 37 R CA 1.376 57.419 56.100 -0.095 0.000 0.955 37 R CB -0.011 30.246 30.300 -0.071 0.000 0.851 37 R HN 0.045 nan 8.270 nan 0.000 0.432 38 M N 1.006 120.490 119.600 -0.194 0.000 2.346 38 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 38 M C 1.417 177.566 176.300 -0.252 0.000 1.064 38 M CA 1.354 56.533 55.300 -0.201 0.000 1.083 38 M CB -0.639 31.863 32.600 -0.163 0.000 1.399 38 M HN 0.203 nan 8.290 nan 0.000 0.435 39 Q N 0.411 119.986 119.800 -0.375 0.000 2.415 39 Q HA 0.256 4.596 4.340 -0.000 0.000 0.206 39 Q C 0.845 176.715 176.000 -0.217 0.000 0.946 39 Q CA 0.312 55.888 55.803 -0.379 0.000 0.951 39 Q CB -0.094 28.268 28.738 -0.627 0.000 1.026 39 Q HN 0.494 nan 8.270 nan 0.000 0.510 40 L N 0.793 121.921 121.223 -0.158 0.000 2.578 40 L HA 0.296 4.636 4.340 -0.000 0.000 0.259 40 L C 0.860 177.694 176.870 -0.061 0.000 1.082 40 L CA -1.079 53.706 54.840 -0.091 0.000 0.843 40 L CB 0.356 42.377 42.059 -0.064 0.000 1.535 40 L HN 0.059 nan 8.230 nan 0.000 0.510 41 N N -0.503 118.179 118.700 -0.030 0.000 2.458 41 N HA 0.035 4.775 4.740 -0.000 0.000 0.271 41 N C 0.381 175.904 175.510 0.021 0.000 1.210 41 N CA -0.481 52.562 53.050 -0.010 0.000 0.978 41 N CB 1.660 40.144 38.487 -0.006 0.000 1.206 41 N HN 0.631 nan 8.380 nan 0.000 0.536 42 E N 0.592 120.813 120.200 0.036 0.000 2.055 42 E HA -0.351 3.999 4.350 -0.000 0.000 0.209 42 E C 1.654 178.347 176.600 0.156 0.000 1.036 42 E CA 2.312 58.770 56.400 0.096 0.000 0.849 42 E CB -0.285 29.448 29.700 0.055 0.000 0.767 42 E HN 0.783 nan 8.360 nan 0.000 0.461 43 E N -0.080 120.150 120.200 0.049 0.000 2.013 43 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 43 E C 2.254 178.913 176.600 0.099 0.000 1.018 43 E CA 1.899 58.313 56.400 0.023 0.000 0.834 43 E CB -0.511 29.182 29.700 -0.010 0.000 0.770 43 E HN 0.400 nan 8.360 nan 0.000 0.459 44 L N 0.317 121.577 121.223 0.062 0.000 2.270 44 L HA -0.206 4.134 4.340 -0.000 0.000 0.217 44 L C 2.774 179.690 176.870 0.076 0.000 1.107 44 L CA 1.111 55.986 54.840 0.058 0.000 0.772 44 L CB -0.378 41.695 42.059 0.024 0.000 0.902 44 L HN 0.192 nan 8.230 nan 0.000 0.439 45 R N -1.338 119.218 120.500 0.094 0.000 2.236 45 R HA -0.084 4.256 4.340 -0.000 0.000 0.208 45 R C 1.934 178.250 176.300 0.027 0.000 1.036 45 R CA 0.690 56.801 56.100 0.018 0.000 1.001 45 R CB -0.085 30.181 30.300 -0.057 0.000 0.896 45 R HN 0.466 nan 8.270 nan 0.000 0.464 46 H N 0.046 119.146 119.070 0.050 0.000 2.399 46 H HA 0.051 4.607 4.556 -0.000 0.000 0.300 46 H C 1.864 177.252 175.328 0.100 0.000 1.048 46 H CA 0.713 56.821 56.048 0.100 0.000 1.370 46 H CB 0.208 30.004 29.762 0.055 0.000 1.428 46 H HN 0.039 nan 8.280 nan 0.000 0.534 47 E N 0.748 121.065 120.200 0.195 0.000 2.110 47 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 47 E C 0.379 177.039 176.600 0.101 0.000 0.988 47 E CA 0.413 56.881 56.400 0.114 0.000 0.804 47 E CB -0.288 29.457 29.700 0.075 0.000 0.745 47 E HN 0.129 nan 8.360 nan 0.000 0.458 48 V N 3.656 123.637 119.914 0.112 0.000 2.415 48 V HA 0.039 4.159 4.120 -0.000 0.000 0.267 48 V C 0.468 176.666 176.094 0.174 0.000 1.042 48 V CA 0.130 62.493 62.300 0.106 0.000 1.000 48 V CB 0.507 32.373 31.823 0.073 0.000 1.015 48 V HN 0.221 nan 8.190 nan 0.000 0.478 49 T N 4.464 119.090 114.554 0.120 0.000 2.940 49 T HA 0.631 4.981 4.350 -0.000 0.000 0.288 49 T C -2.680 172.087 174.700 0.112 0.000 1.033 49 T CA -2.332 59.828 62.100 0.100 0.000 1.033 49 T CB 1.612 70.480 68.868 0.000 0.000 1.079 49 T HN 0.361 nan 8.240 nan 0.000 0.496 50 P HA 0.152 nan 4.420 nan 0.000 0.266 50 P C -0.469 176.892 177.300 0.102 0.000 1.195 50 P CA -0.355 62.822 63.100 0.129 0.000 0.768 50 P CB 0.292 32.082 31.700 0.150 0.000 0.838 51 K N 3.094 123.552 120.400 0.097 0.000 2.180 51 K HA 0.219 4.539 4.320 -0.000 0.000 0.250 51 K C -0.052 176.602 176.600 0.090 0.000 1.135 51 K CA -0.240 56.094 56.287 0.079 0.000 1.037 51 K CB -0.626 31.917 32.500 0.072 0.000 1.624 51 K HN 0.357 nan 8.250 nan 0.000 0.382 52 N N 2.103 120.861 118.700 0.097 0.000 2.441 52 N HA 0.137 4.877 4.740 -0.000 0.000 0.251 52 N C 0.299 175.861 175.510 0.086 0.000 1.242 52 N CA 0.178 53.301 53.050 0.121 0.000 0.898 52 N CB 0.913 39.486 38.487 0.143 0.000 1.100 52 N HN 0.332 nan 8.380 nan 0.000 0.443 53 I N 1.232 121.861 120.570 0.098 0.000 2.562 53 I HA 0.283 4.453 4.170 -0.000 0.000 0.301 53 I C -0.410 175.743 176.117 0.059 0.000 1.003 53 I CA -0.996 60.349 61.300 0.076 0.000 1.127 53 I CB 1.772 39.828 38.000 0.095 0.000 1.304 53 I HN 0.162 nan 8.210 nan 0.000 0.446 54 L N 6.713 127.959 121.223 0.039 0.000 2.318 54 L HA 0.526 4.866 4.340 -0.000 0.000 0.277 54 L C -0.778 176.123 176.870 0.053 0.000 1.008 54 L CA -0.229 54.630 54.840 0.032 0.000 0.846 54 L CB 1.060 43.112 42.059 -0.012 0.000 1.220 54 L HN 0.518 nan 8.230 nan 0.000 0.423 55 M N 6.062 125.718 119.600 0.094 0.000 2.188 55 M HA 0.452 4.932 4.480 -0.000 0.000 0.357 55 M C -0.777 175.628 176.300 0.175 0.000 1.204 55 M CA 0.027 55.405 55.300 0.130 0.000 1.095 55 M CB 1.221 33.930 32.600 0.181 0.000 1.604 55 M HN 0.446 nan 8.290 nan 0.000 0.464 56 I N 2.387 123.049 120.570 0.153 0.000 2.389 56 I HA 0.825 4.995 4.170 -0.000 0.000 0.288 56 I C 0.242 176.462 176.117 0.172 0.000 0.999 56 I CA -0.367 61.059 61.300 0.212 0.000 1.129 56 I CB 1.832 39.891 38.000 0.100 0.000 1.288 56 I HN 0.847 nan 8.210 nan 0.000 0.444 57 G N 6.475 115.386 108.800 0.185 0.000 2.355 57 G HA2 0.382 4.342 3.960 -0.000 0.000 0.296 57 G HA3 0.382 4.342 3.960 -0.000 0.000 0.296 57 G C -3.335 171.633 174.900 0.114 0.000 1.507 57 G CA -0.719 44.462 45.100 0.134 0.000 0.823 57 G HN 0.293 nan 8.290 nan 0.000 0.569 58 P HA 0.274 nan 4.420 nan 0.000 0.273 58 P C 0.575 177.917 177.300 0.069 0.000 1.250 58 P CA 0.062 63.200 63.100 0.064 0.000 0.793 58 P CB 0.331 32.061 31.700 0.049 0.000 1.011 59 T N -3.371 111.213 114.554 0.051 0.000 2.900 59 T HA 0.356 4.706 4.350 -0.000 0.000 0.307 59 T C 1.185 175.920 174.700 0.059 0.000 1.065 59 T CA 0.284 62.417 62.100 0.054 0.000 1.105 59 T CB -0.662 68.226 68.868 0.033 0.000 0.979 59 T HN 0.827 nan 8.240 nan 0.000 0.544 60 G N 0.418 109.254 108.800 0.060 0.000 2.356 60 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.296 60 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.296 60 G C 0.445 175.395 174.900 0.083 0.000 1.022 60 G CA 0.384 45.518 45.100 0.056 0.000 0.961 60 G HN 1.889 nan 8.290 nan 0.000 0.510 61 V N -3.896 116.075 119.914 0.095 0.000 3.380 61 V HA 0.721 4.841 4.120 -0.000 0.000 0.307 61 V C 1.489 177.643 176.094 0.101 0.000 1.434 61 V CA 0.992 63.361 62.300 0.114 0.000 1.075 61 V CB 0.267 32.158 31.823 0.115 0.000 0.954 61 V HN 2.100 nan 8.190 nan 0.000 0.444 62 G N 0.747 109.598 108.800 0.085 0.000 2.205 62 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.180 62 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.180 62 G C 0.677 175.622 174.900 0.075 0.000 1.004 62 G CA 0.254 45.398 45.100 0.072 0.000 0.670 62 G HN 0.444 nan 8.290 nan 0.000 0.496 63 K N 0.134 120.601 120.400 0.112 0.000 1.985 63 K HA -0.052 4.268 4.320 -0.000 0.000 0.210 63 K C 2.573 179.215 176.600 0.070 0.000 1.047 63 K CA 1.982 58.381 56.287 0.186 0.000 0.932 63 K CB -0.443 32.242 32.500 0.307 0.000 0.716 63 K HN 0.286 nan 8.250 nan 0.000 0.439 64 T N 1.566 116.030 114.554 -0.149 0.000 2.652 64 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 64 T C 1.710 176.248 174.700 -0.269 0.000 1.039 64 T CA 1.171 62.964 62.100 -0.512 0.000 1.153 64 T CB -0.209 68.397 68.868 -0.436 0.000 0.863 64 T HN 0.196 nan 8.240 nan 0.000 0.428 65 E N 0.873 120.989 120.200 -0.141 0.000 2.068 65 E HA -0.151 4.199 4.350 -0.000 0.000 0.207 65 E C 2.237 178.768 176.600 -0.115 0.000 1.032 65 E CA 1.223 57.554 56.400 -0.115 0.000 0.839 65 E CB -0.564 29.113 29.700 -0.038 0.000 0.758 65 E HN 0.516 nan 8.360 nan 0.000 0.457 66 I N 0.715 121.260 120.570 -0.043 0.000 2.194 66 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 66 I C 2.458 178.548 176.117 -0.046 0.000 1.093 66 I CA 1.288 62.582 61.300 -0.011 0.000 1.355 66 I CB -0.326 37.706 38.000 0.052 0.000 1.046 66 I HN 0.049 nan 8.210 nan 0.000 0.413 67 A N 0.412 123.201 122.820 -0.052 0.000 1.898 67 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 67 A C 2.395 179.707 177.584 -0.452 0.000 1.181 67 A CA 1.453 53.464 52.037 -0.043 0.000 0.620 67 A CB -0.517 18.602 19.000 0.199 0.000 0.819 67 A HN 0.265 nan 8.150 nan 0.000 0.442 68 R N -0.722 119.386 120.500 -0.654 0.000 2.070 68 R HA -0.052 4.287 4.340 -0.000 0.000 0.233 68 R C 2.163 178.140 176.300 -0.539 0.000 1.137 68 R CA 1.372 56.923 56.100 -0.915 0.000 0.945 68 R CB -0.160 29.799 30.300 -0.568 0.000 0.845 68 R HN 0.314 nan 8.270 nan 0.000 0.430 69 R N 0.609 120.906 120.500 -0.338 0.000 2.280 69 R HA -0.054 4.286 4.340 -0.000 0.000 0.207 69 R C 1.955 178.151 176.300 -0.173 0.000 1.043 69 R CA 0.479 56.427 56.100 -0.254 0.000 1.006 69 R CB -0.346 29.833 30.300 -0.201 0.000 0.885 69 R HN 0.328 nan 8.270 nan 0.000 0.467 70 L N 0.257 121.382 121.223 -0.162 0.000 2.102 70 L HA 0.049 4.389 4.340 -0.000 0.000 0.202 70 L C 2.017 178.835 176.870 -0.086 0.000 1.076 70 L CA 1.379 56.172 54.840 -0.078 0.000 0.761 70 L CB -0.689 41.357 42.059 -0.021 0.000 0.921 70 L HN 0.094 nan 8.230 nan 0.000 0.444 71 A N 0.264 122.994 122.820 -0.150 0.000 1.865 71 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 71 A C 2.343 179.866 177.584 -0.102 0.000 1.191 71 A CA 2.038 54.017 52.037 -0.097 0.000 0.623 71 A CB -0.593 18.302 19.000 -0.174 0.000 0.826 71 A HN 0.422 nan 8.150 nan 0.000 0.444 72 K N -0.958 119.337 120.400 -0.175 0.000 2.280 72 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 72 K C 1.758 178.296 176.600 -0.102 0.000 1.047 72 K CA 1.205 57.407 56.287 -0.140 0.000 0.942 72 K CB -0.186 32.198 32.500 -0.194 0.000 0.739 72 K HN 0.380 nan 8.250 nan 0.000 0.457 73 L N 0.067 121.234 121.223 -0.093 0.000 2.131 73 L HA 0.094 4.433 4.340 -0.000 0.000 0.206 73 L C 1.633 178.474 176.870 -0.049 0.000 1.087 73 L CA 1.606 56.409 54.840 -0.061 0.000 0.767 73 L CB -0.233 41.798 42.059 -0.046 0.000 0.917 73 L HN 0.067 nan 8.230 nan 0.000 0.441 74 A N -0.948 121.846 122.820 -0.044 0.000 2.379 74 A HA 0.107 4.427 4.320 -0.000 0.000 0.236 74 A C 1.038 178.583 177.584 -0.064 0.000 1.272 74 A CA 0.325 52.334 52.037 -0.047 0.000 0.886 74 A CB -1.128 17.857 19.000 -0.024 0.000 0.962 74 A HN 0.662 nan 8.150 nan 0.000 0.504 75 N N -1.457 117.215 118.700 -0.046 0.000 2.710 75 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 75 N C 0.166 175.673 175.510 -0.006 0.000 1.059 75 N CA 0.051 53.084 53.050 -0.029 0.000 0.720 75 N CB -0.698 37.775 38.487 -0.024 0.000 0.983 75 N HN 0.666 nan 8.380 nan 0.000 0.544 76 A N 0.400 123.230 122.820 0.018 0.000 2.293 76 A HA 0.649 4.969 4.320 -0.000 0.000 0.302 76 A C -2.371 175.281 177.584 0.113 0.000 1.119 76 A CA -1.124 50.964 52.037 0.085 0.000 0.823 76 A CB 0.738 19.808 19.000 0.117 0.000 1.097 76 A HN 0.164 nan 8.150 nan 0.000 0.491 77 P HA 0.382 nan 4.420 nan 0.000 0.276 77 P C -1.184 176.222 177.300 0.176 0.000 1.235 77 P CA 0.359 63.528 63.100 0.114 0.000 0.772 77 P CB 0.244 31.985 31.700 0.068 0.000 0.871 78 F N 4.835 124.786 119.950 0.001 0.000 2.547 78 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 78 F C -1.325 174.484 175.800 0.016 0.000 1.121 78 F CA -0.936 57.067 58.000 0.005 0.000 0.911 78 F CB 1.086 40.086 39.000 -0.001 0.000 1.179 78 F HN 0.164 nan 8.300 nan 0.000 0.443 79 I N 5.640 125.788 120.570 -0.702 0.000 2.828 79 I HA 0.441 4.611 4.170 -0.000 0.000 0.302 79 I C -1.722 173.994 176.117 -0.668 0.000 1.101 79 I CA -0.872 60.136 61.300 -0.486 0.000 1.031 79 I CB 1.933 39.822 38.000 -0.186 0.000 1.231 79 I HN 0.695 nan 8.210 nan 0.000 0.427 80 K N 7.359 127.588 120.400 -0.286 0.000 2.507 80 K HA 0.542 4.862 4.320 -0.000 0.000 0.253 80 K C -1.642 174.995 176.600 0.063 0.000 0.969 80 K CA -0.591 55.661 56.287 -0.058 0.000 0.908 80 K CB 1.380 33.910 32.500 0.050 0.000 1.127 80 K HN 0.468 nan 8.250 nan 0.000 0.437 81 V N 0.785 120.770 119.914 0.119 0.000 2.483 81 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 81 V C -0.354 175.832 176.094 0.154 0.000 1.035 81 V CA -0.865 61.517 62.300 0.137 0.000 0.896 81 V CB 1.638 33.593 31.823 0.219 0.000 0.986 81 V HN 0.635 nan 8.190 nan 0.000 0.447 82 E N 3.027 123.276 120.200 0.082 0.000 2.152 82 E HA 0.413 4.763 4.350 -0.000 0.000 0.285 82 E C 1.156 177.795 176.600 0.064 0.000 1.043 82 E CA 0.208 56.644 56.400 0.060 0.000 0.839 82 E CB 1.742 31.443 29.700 0.002 0.000 1.069 82 E HN 0.904 nan 8.360 nan 0.000 0.399 83 A N 3.636 126.533 122.820 0.128 0.000 1.903 83 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 83 A C 2.135 179.831 177.584 0.186 0.000 1.191 83 A CA 2.569 54.734 52.037 0.214 0.000 0.638 83 A CB -0.932 18.139 19.000 0.118 0.000 0.823 83 A HN 0.670 nan 8.150 nan 0.000 0.451 84 T N -1.855 112.731 114.554 0.054 0.000 3.025 84 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 84 T C 1.614 176.277 174.700 -0.062 0.000 1.126 84 T CA 1.547 63.658 62.100 0.019 0.000 1.105 84 T CB -0.341 68.523 68.868 -0.006 0.000 0.884 84 T HN 0.630 nan 8.240 nan 0.000 0.522 85 K N 0.985 121.252 120.400 -0.222 0.000 2.059 85 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 85 K C 1.381 177.734 176.600 -0.412 0.000 1.050 85 K CA 1.825 57.845 56.287 -0.446 0.000 0.927 85 K CB -0.562 31.427 32.500 -0.850 0.000 0.714 85 K HN 0.485 nan 8.250 nan 0.000 0.447 86 F N 0.808 120.768 119.950 0.017 0.000 2.748 86 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 86 F C 2.139 177.955 175.800 0.027 0.000 1.154 86 F CA 0.645 58.657 58.000 0.020 0.000 1.446 86 F CB -0.658 38.349 39.000 0.011 0.000 1.112 86 F HN 0.007 nan 8.300 nan 0.000 0.584 87 T N 0.043 114.682 114.554 0.143 0.000 2.699 87 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 87 T C 1.546 176.327 174.700 0.134 0.000 1.036 87 T CA 1.673 63.843 62.100 0.116 0.000 1.147 87 T CB -0.292 68.620 68.868 0.073 0.000 0.862 87 T HN 0.415 nan 8.240 nan 0.000 0.446 88 E N 1.159 121.428 120.200 0.116 0.000 2.512 88 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 88 E C 1.950 178.662 176.600 0.187 0.000 1.083 88 E CA 0.084 56.583 56.400 0.165 0.000 0.873 88 E CB -0.123 29.622 29.700 0.075 0.000 0.897 88 E HN 0.495 nan 8.360 nan 0.000 0.514 89 V N -2.568 117.435 119.914 0.148 0.000 3.444 89 V HA 0.092 4.212 4.120 -0.000 0.000 0.271 89 V C 1.716 177.846 176.094 0.060 0.000 1.188 89 V CA 1.284 63.654 62.300 0.118 0.000 1.168 89 V CB -0.383 31.520 31.823 0.134 0.000 0.810 89 V HN 0.183 nan 8.190 nan 0.000 0.500 90 G N -0.527 108.295 108.800 0.038 0.000 2.464 90 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 90 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 90 G C 1.114 175.818 174.900 -0.327 0.000 1.138 90 G CA 0.950 45.945 45.100 -0.174 0.000 0.793 90 G HN 0.656 nan 8.290 nan 0.000 0.539 91 Y N -0.836 119.473 120.300 0.014 0.000 2.444 91 Y HA 0.381 4.931 4.550 -0.000 0.000 0.252 91 Y C 0.100 176.006 175.900 0.011 0.000 1.091 91 Y CA -0.169 57.937 58.100 0.010 0.000 1.276 91 Y CB 1.079 39.543 38.460 0.006 0.000 1.170 91 Y HN 0.222 nan 8.280 nan 0.000 0.517 92 V N -2.243 117.767 119.914 0.160 0.000 2.841 92 V HA 0.496 4.616 4.120 -0.000 0.000 0.238 92 V C -0.675 175.475 176.094 0.095 0.000 1.914 92 V CA -0.919 61.440 62.300 0.099 0.000 0.761 92 V CB -0.592 31.278 31.823 0.079 0.000 1.223 92 V HN 0.351 nan 8.190 nan 0.000 0.570 93 G N 2.223 111.076 108.800 0.090 0.000 2.725 93 G HA2 0.736 4.696 3.960 -0.000 0.000 0.288 93 G HA3 0.736 4.696 3.960 -0.000 0.000 0.288 93 G C -1.077 173.885 174.900 0.103 0.000 1.399 93 G CA -0.989 44.164 45.100 0.087 0.000 0.859 93 G HN 1.038 nan 8.290 nan 0.000 0.479 94 K N 0.305 120.765 120.400 0.100 0.000 2.355 94 K HA 0.346 4.666 4.320 -0.000 0.000 0.270 94 K C 0.175 176.948 176.600 0.288 0.000 1.003 94 K CA -0.019 56.356 56.287 0.146 0.000 0.957 94 K CB 0.437 32.992 32.500 0.091 0.000 0.939 94 K HN 0.455 nan 8.250 nan 0.000 0.482 95 E N 1.475 121.794 120.200 0.199 0.000 2.373 95 E HA 0.058 4.408 4.350 -0.000 0.000 0.263 95 E C 0.725 177.400 176.600 0.126 0.000 1.073 95 E CA -0.329 56.153 56.400 0.137 0.000 0.894 95 E CB 0.680 30.415 29.700 0.059 0.000 1.008 95 E HN 0.260 nan 8.360 nan 0.000 0.420 96 V N 1.672 121.509 119.914 -0.128 0.000 2.913 96 V HA -0.214 3.906 4.120 -0.000 0.000 0.260 96 V C 0.698 176.696 176.094 -0.159 0.000 1.098 96 V CA 1.664 63.695 62.300 -0.448 0.000 1.121 96 V CB -0.637 30.834 31.823 -0.585 0.000 0.714 96 V HN 0.589 nan 8.190 nan 0.000 0.487 97 D N 0.722 121.088 120.400 -0.056 0.000 2.178 97 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 97 D C 2.365 178.685 176.300 0.033 0.000 0.980 97 D CA 1.557 55.551 54.000 -0.011 0.000 0.842 97 D CB -0.426 40.373 40.800 -0.001 0.000 0.948 97 D HN 0.604 nan 8.370 nan 0.000 0.472 98 S N 0.405 116.150 115.700 0.075 0.000 2.423 98 S HA -0.232 4.238 4.470 -0.000 0.000 0.238 98 S C 2.044 176.710 174.600 0.111 0.000 1.028 98 S CA 0.740 59.005 58.200 0.108 0.000 1.000 98 S CB -0.769 62.531 63.200 0.167 0.000 0.797 98 S HN 0.335 nan 8.310 nan 0.000 0.487 99 I N 1.100 121.742 120.570 0.119 0.000 2.163 99 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 99 I C 2.102 178.257 176.117 0.062 0.000 1.085 99 I CA 1.212 62.577 61.300 0.108 0.000 1.347 99 I CB -0.385 37.678 38.000 0.106 0.000 1.044 99 I HN 0.320 nan 8.210 nan 0.000 0.408 100 I N 0.355 120.958 120.570 0.054 0.000 2.761 100 I HA -0.117 4.053 4.170 -0.000 0.000 0.261 100 I C 2.521 178.667 176.117 0.049 0.000 1.198 100 I CA 1.139 62.464 61.300 0.042 0.000 1.482 100 I CB -1.213 36.813 38.000 0.044 0.000 1.100 100 I HN 0.256 nan 8.210 nan 0.000 0.445 101 R N 0.883 121.416 120.500 0.056 0.000 2.064 101 R HA -0.134 4.206 4.340 -0.000 0.000 0.228 101 R C 1.835 178.184 176.300 0.082 0.000 1.144 101 R CA 1.496 57.636 56.100 0.067 0.000 0.932 101 R CB -0.386 29.947 30.300 0.055 0.000 0.833 101 R HN 0.269 nan 8.270 nan 0.000 0.429 102 D N 1.249 121.691 120.400 0.069 0.000 2.149 102 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 102 D C 1.886 178.211 176.300 0.042 0.000 0.990 102 D CA 0.761 54.796 54.000 0.060 0.000 0.839 102 D CB -0.283 40.549 40.800 0.053 0.000 0.948 102 D HN 0.118 nan 8.370 nan 0.000 0.460 103 L N 0.653 121.892 121.223 0.027 0.000 2.079 103 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 103 L C 1.905 178.787 176.870 0.021 0.000 1.081 103 L CA 1.364 56.206 54.840 0.003 0.000 0.752 103 L CB -0.300 41.747 42.059 -0.020 0.000 0.896 103 L HN 0.095 nan 8.230 nan 0.000 0.433 104 T N -1.326 113.257 114.554 0.047 0.000 2.896 104 T HA -0.114 4.236 4.350 -0.000 0.000 0.263 104 T C 1.285 175.995 174.700 0.016 0.000 1.050 104 T CA 1.019 63.152 62.100 0.055 0.000 1.140 104 T CB -0.170 68.776 68.868 0.130 0.000 0.877 104 T HN 0.293 nan 8.240 nan 0.000 0.457 105 D N 1.514 121.955 120.400 0.068 0.000 2.263 105 D HA 0.044 4.683 4.640 -0.000 0.000 0.208 105 D C 1.916 178.209 176.300 -0.010 0.000 0.971 105 D CA 0.768 54.793 54.000 0.041 0.000 0.867 105 D CB -0.140 40.724 40.800 0.106 0.000 0.929 105 D HN 0.454 nan 8.370 nan 0.000 0.492 106 A N -0.195 122.627 122.820 0.004 0.000 2.197 106 A HA 0.451 4.771 4.320 -0.000 0.000 0.210 106 A C 2.007 179.592 177.584 0.000 0.000 1.180 106 A CA 0.707 52.748 52.037 0.007 0.000 0.846 106 A CB 0.204 19.220 19.000 0.028 0.000 0.884 106 A HN 0.147 nan 8.150 nan 0.000 0.487 107 A N -0.680 122.134 122.820 -0.010 0.000 2.123 107 A HA 0.308 4.628 4.320 -0.000 0.000 0.214 107 A C 1.924 179.483 177.584 -0.041 0.000 1.152 107 A CA 1.172 53.206 52.037 -0.006 0.000 0.728 107 A CB -0.295 18.706 19.000 0.002 0.000 0.814 107 A HN 0.237 nan 8.150 nan 0.000 0.464 108 V N 0.030 119.887 119.914 -0.094 0.000 2.278 108 V HA -0.149 3.971 4.120 -0.000 0.000 0.238 108 V C 2.361 178.404 176.094 -0.084 0.000 1.039 108 V CA 2.056 64.264 62.300 -0.153 0.000 1.017 108 V CB -0.437 31.173 31.823 -0.356 0.000 0.657 108 V HN 0.644 nan 8.190 nan 0.000 0.462 109 K N -0.757 119.603 120.400 -0.066 0.000 2.444 109 K HA -0.237 4.083 4.320 -0.000 0.000 0.200 109 K C 1.952 178.542 176.600 -0.016 0.000 1.045 109 K CA 1.769 58.038 56.287 -0.031 0.000 0.934 109 K CB -0.122 32.369 32.500 -0.014 0.000 0.756 109 K HN 0.433 nan 8.250 nan 0.000 0.477 110 M N -0.416 119.176 119.600 -0.013 0.000 2.384 110 M HA -0.088 4.392 4.480 -0.000 0.000 0.258 110 M C 1.787 178.087 176.300 -0.001 0.000 1.130 110 M CA 1.007 56.306 55.300 -0.000 0.000 1.187 110 M CB 0.300 32.907 32.600 0.012 0.000 1.307 110 M HN 0.086 nan 8.290 nan 0.000 0.468 111 V N -1.091 118.821 119.914 -0.004 0.000 3.026 111 V HA -0.179 3.941 4.120 -0.000 0.000 0.265 111 V C 2.006 178.099 176.094 -0.003 0.000 1.121 111 V CA 1.961 64.262 62.300 0.001 0.000 1.142 111 V CB -1.378 30.444 31.823 -0.000 0.000 0.730 111 V HN 0.547 nan 8.190 nan 0.000 0.503 112 R N 0.242 120.736 120.500 -0.011 0.000 2.064 112 R HA 0.059 4.399 4.340 -0.000 0.000 0.221 112 R C 2.165 178.464 176.300 -0.001 0.000 1.136 112 R CA 1.411 57.505 56.100 -0.009 0.000 0.980 112 R CB -0.221 30.069 30.300 -0.017 0.000 0.876 112 R HN 0.383 nan 8.270 nan 0.000 0.437 113 V N 1.654 121.566 119.914 -0.002 0.000 2.490 113 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 113 V C 1.924 178.021 176.094 0.003 0.000 1.061 113 V CA 1.759 64.059 62.300 0.001 0.000 1.064 113 V CB -0.420 31.403 31.823 -0.000 0.000 0.670 113 V HN 0.442 nan 8.190 nan 0.000 0.461 114 Q N -0.754 119.048 119.800 0.004 0.000 2.425 114 Q HA 0.179 4.519 4.340 -0.000 0.000 0.204 114 Q C 2.177 178.182 176.000 0.008 0.000 0.933 114 Q CA 0.815 56.621 55.803 0.005 0.000 0.939 114 Q CB 0.017 28.759 28.738 0.005 0.000 1.044 114 Q HN 0.677 nan 8.270 nan 0.000 0.513 115 A N 0.945 123.771 122.820 0.009 0.000 1.911 115 A HA -0.019 4.300 4.320 -0.000 0.000 0.212 115 A C 1.515 179.108 177.584 0.016 0.000 1.189 115 A CA 0.396 52.441 52.037 0.013 0.000 0.639 115 A CB 0.102 19.108 19.000 0.010 0.000 0.839 115 A HN 0.214 nan 8.150 nan 0.000 0.449 116 I N 0.764 121.343 120.570 0.014 0.000 3.518 116 I HA 0.008 4.178 4.170 -0.000 0.000 0.305 116 I C 1.278 177.409 176.117 0.024 0.000 1.204 116 I CA 1.026 62.336 61.300 0.018 0.000 1.211 116 I CB -1.365 36.643 38.000 0.013 0.000 1.018 116 I HN 0.363 nan 8.210 nan 0.000 0.500 117 E N 1.012 121.227 120.200 0.024 0.000 2.279 117 E HA 0.077 4.427 4.350 -0.000 0.000 0.199 117 E C 1.877 178.500 176.600 0.039 0.000 0.893 117 E CA 0.575 56.991 56.400 0.025 0.000 0.978 117 E CB 0.366 30.072 29.700 0.010 0.000 0.964 117 E HN 0.228 nan 8.360 nan 0.000 0.486 118 K N 0.319 120.739 120.400 0.034 0.000 2.228 118 K HA 0.097 4.417 4.320 -0.000 0.000 0.202 118 K C 0.192 176.836 176.600 0.073 0.000 1.051 118 K CA 0.758 57.072 56.287 0.046 0.000 0.960 118 K CB -0.023 32.494 32.500 0.029 0.000 0.743 118 K HN 0.078 nan 8.250 nan 0.000 0.458 119 N N 1.158 119.891 118.700 0.055 0.000 2.920 119 N HA 0.102 4.842 4.740 -0.000 0.000 0.310 119 N C 0.581 176.120 175.510 0.048 0.000 1.384 119 N CA -0.132 52.947 53.050 0.049 0.000 1.083 119 N CB 0.573 39.078 38.487 0.031 0.000 1.389 119 N HN 0.113 nan 8.380 nan 0.000 0.521 120 R N -0.777 119.769 120.500 0.076 0.000 2.725 120 R HA 0.047 4.386 4.340 -0.000 0.000 0.207 120 R C 0.849 177.205 176.300 0.094 0.000 0.924 120 R CA -0.099 56.042 56.100 0.069 0.000 1.098 120 R CB -0.044 30.299 30.300 0.071 0.000 1.602 120 R HN 0.162 nan 8.270 nan 0.000 0.615 121 Y N 1.563 121.863 120.300 0.000 0.000 2.134 121 Y HA 0.150 4.700 4.550 -0.000 0.000 0.283 121 Y C 1.727 177.628 175.900 0.001 0.000 1.108 121 Y CA 1.334 59.434 58.100 0.001 0.000 1.096 121 Y CB 0.162 38.622 38.460 0.000 0.000 1.005 121 Y HN -0.170 nan 8.280 nan 0.000 0.487 122 R N 0.385 120.936 120.500 0.084 0.000 2.357 122 R HA -0.007 4.333 4.340 -0.000 0.000 0.202 122 R C 1.534 177.819 176.300 -0.025 0.000 1.047 122 R CA 0.735 56.839 56.100 0.007 0.000 1.034 122 R CB -0.431 29.909 30.300 0.066 0.000 0.875 122 R HN 0.425 nan 8.270 nan 0.000 0.473 123 A N 1.257 124.061 122.820 -0.026 0.000 2.014 123 A HA -0.049 4.271 4.320 -0.000 0.000 0.210 123 A C 1.108 178.662 177.584 -0.049 0.000 1.188 123 A CA 0.157 52.180 52.037 -0.024 0.000 0.731 123 A CB 0.267 19.265 19.000 -0.002 0.000 0.858 123 A HN 0.365 nan 8.150 nan 0.000 0.464 124 E N -0.722 119.427 120.200 -0.085 0.000 3.269 124 E HA 0.380 4.730 4.350 -0.000 0.000 0.221 124 E C 0.030 176.529 176.600 -0.168 0.000 1.113 124 E CA -0.155 56.185 56.400 -0.099 0.000 1.385 124 E CB 0.282 29.937 29.700 -0.075 0.000 1.345 124 E HN 0.491 nan 8.360 nan 0.000 0.435 125 E N 0.313 120.417 120.200 -0.160 0.000 2.626 125 E HA 0.073 4.423 4.350 -0.000 0.000 0.198 125 E C 0.704 177.245 176.600 -0.100 0.000 0.943 125 E CA 0.056 56.348 56.400 -0.180 0.000 1.515 125 E CB 0.638 30.163 29.700 -0.293 0.000 1.677 125 E HN 0.292 nan 8.360 nan 0.000 0.897 126 L N 0.201 121.379 121.223 -0.075 0.000 2.672 126 L HA 0.365 4.705 4.340 -0.000 0.000 0.236 126 L C 2.112 178.958 176.870 -0.040 0.000 1.092 126 L CA 0.924 55.736 54.840 -0.046 0.000 0.887 126 L CB 0.011 42.051 42.059 -0.032 0.000 1.168 126 L HN 0.067 nan 8.230 nan 0.000 0.502 127 A N -0.105 122.687 122.820 -0.046 0.000 2.016 127 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 127 A C 2.081 179.643 177.584 -0.037 0.000 1.162 127 A CA 0.857 52.872 52.037 -0.037 0.000 0.662 127 A CB -0.045 18.933 19.000 -0.037 0.000 0.812 127 A HN 0.384 nan 8.150 nan 0.000 0.450 128 E N 0.094 120.269 120.200 -0.043 0.000 2.015 128 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 128 E C 1.827 178.407 176.600 -0.033 0.000 0.991 128 E CA 1.294 57.673 56.400 -0.035 0.000 0.802 128 E CB -0.283 29.395 29.700 -0.037 0.000 0.759 128 E HN 0.691 nan 8.360 nan 0.000 0.447 129 E N 0.417 120.597 120.200 -0.034 0.000 2.253 129 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 129 E C 2.101 178.679 176.600 -0.037 0.000 1.014 129 E CA 1.045 57.425 56.400 -0.032 0.000 0.823 129 E CB -0.107 29.577 29.700 -0.027 0.000 0.736 129 E HN 0.028 nan 8.360 nan 0.000 0.478 130 R N 0.494 120.973 120.500 -0.036 0.000 2.075 130 R HA 0.052 4.392 4.340 -0.000 0.000 0.226 130 R C 2.197 178.470 176.300 -0.045 0.000 1.114 130 R CA 0.667 56.745 56.100 -0.036 0.000 0.972 130 R CB -0.060 30.223 30.300 -0.029 0.000 0.869 130 R HN 0.191 nan 8.270 nan 0.000 0.437 131 I N 0.032 120.575 120.570 -0.044 0.000 3.059 131 I HA -0.085 4.085 4.170 -0.000 0.000 0.270 131 I C 1.049 177.115 176.117 -0.085 0.000 1.238 131 I CA 0.695 61.964 61.300 -0.052 0.000 1.478 131 I CB 0.277 38.258 38.000 -0.032 0.000 1.097 131 I HN 0.229 nan 8.210 nan 0.000 0.455 132 L N 0.060 121.232 121.223 -0.085 0.000 2.209 132 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 132 L C 1.506 178.277 176.870 -0.166 0.000 1.094 132 L CA 0.666 55.428 54.840 -0.129 0.000 0.790 132 L CB -0.485 41.534 42.059 -0.067 0.000 0.932 132 L HN 0.153 nan 8.230 nan 0.000 0.447 133 D N -0.713 119.622 120.400 -0.109 0.000 2.371 133 D HA -0.105 4.535 4.640 -0.000 0.000 0.221 133 D C 1.705 177.941 176.300 -0.107 0.000 0.986 133 D CA 0.683 54.626 54.000 -0.095 0.000 0.899 133 D CB 0.456 41.221 40.800 -0.059 0.000 0.902 133 D HN 0.099 nan 8.370 nan 0.000 0.530 134 V N -0.304 119.532 119.914 -0.129 0.000 3.578 134 V HA 0.156 4.276 4.120 -0.000 0.000 0.290 134 V C 1.390 177.371 176.094 -0.187 0.000 1.376 134 V CA 0.240 62.469 62.300 -0.119 0.000 1.083 134 V CB 0.211 31.985 31.823 -0.082 0.000 0.911 134 V HN 0.072 nan 8.190 nan 0.000 0.433 135 L N -0.323 120.709 121.223 -0.318 0.000 2.349 135 L HA 0.368 4.708 4.340 -0.000 0.000 0.200 135 L C 0.582 177.055 176.870 -0.663 0.000 1.064 135 L CA 0.523 54.985 54.840 -0.631 0.000 0.821 135 L CB 0.454 41.906 42.059 -1.013 0.000 1.027 135 L HN 0.094 nan 8.230 nan 0.000 0.476 136 I N 0.936 121.228 120.570 -0.462 0.000 2.862 136 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 136 I C -2.383 173.658 176.117 -0.126 0.000 1.339 136 I CA -1.962 59.194 61.300 -0.241 0.000 1.002 136 I CB 0.519 38.425 38.000 -0.156 0.000 1.618 136 I HN -0.205 nan 8.210 nan 0.000 0.593 137 P HA 0.050 nan 4.420 nan 0.000 0.253 137 P C -2.245 175.038 177.300 -0.030 0.000 1.170 137 P CA -0.489 62.575 63.100 -0.059 0.000 0.806 137 P CB -0.277 31.395 31.700 -0.047 0.000 0.775 138 P HA 0.024 nan 4.420 nan 0.000 0.257 138 P C 0.215 177.525 177.300 0.016 0.000 1.227 138 P CA 0.410 63.511 63.100 0.001 0.000 0.981 138 P CB -0.148 31.553 31.700 0.001 0.000 1.044 139 A N 4.040 126.875 122.820 0.025 0.000 2.655 139 A HA -0.154 4.166 4.320 -0.000 0.000 0.225 139 A C 0.364 177.978 177.584 0.049 0.000 1.492 139 A CA 0.577 52.639 52.037 0.042 0.000 1.445 139 A CB -0.225 18.812 19.000 0.060 0.000 1.103 139 A HN 0.501 nan 8.150 nan 0.000 0.515 140 K N 1.501 121.934 120.400 0.055 0.000 2.218 140 K HA 0.493 4.813 4.320 -0.000 0.000 0.276 140 K C 0.222 176.869 176.600 0.078 0.000 1.022 140 K CA -0.198 56.118 56.287 0.048 0.000 0.946 140 K CB 0.308 32.831 32.500 0.038 0.000 1.000 140 K HN 0.797 nan 8.250 nan 0.000 0.468 141 N N 2.477 121.194 118.700 0.028 0.000 2.408 141 N HA -0.187 4.552 4.740 -0.000 0.000 0.293 141 N C -1.338 174.207 175.510 0.058 0.000 1.433 141 N CA 0.322 53.356 53.050 -0.028 0.000 0.637 141 N CB -0.561 37.893 38.487 -0.056 0.000 0.941 141 N HN 0.984 nan 8.380 nan 0.000 0.499 142 N N 2.758 121.467 118.700 0.014 0.000 2.473 142 N HA 0.195 4.935 4.740 -0.000 0.000 0.291 142 N C -0.560 174.997 175.510 0.078 0.000 1.083 142 N CA -0.296 52.834 53.050 0.133 0.000 0.951 142 N CB 0.788 39.323 38.487 0.079 0.000 1.164 142 N HN 0.428 nan 8.380 nan 0.000 0.480 143 W N 1.775 123.075 121.300 -0.000 0.000 2.357 143 W HA 0.282 4.942 4.660 -0.000 0.000 0.317 143 W C 0.707 177.226 176.519 0.001 0.000 1.101 143 W CA -0.825 56.521 57.345 0.000 0.000 1.380 143 W CB 0.994 30.454 29.460 0.001 0.000 1.266 143 W HN 0.659 nan 8.180 nan 0.000 0.419 144 G N 3.831 112.685 108.800 0.090 0.000 2.097 144 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.256 144 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.256 144 G C 0.456 175.411 174.900 0.091 0.000 1.082 144 G CA 0.485 45.623 45.100 0.064 0.000 0.956 144 G HN 0.574 nan 8.290 nan 0.000 0.420 145 Q N 0.866 120.711 119.800 0.076 0.000 1.818 145 Q HA 0.005 4.345 4.340 -0.000 0.000 0.183 145 Q C 1.831 177.858 176.000 0.045 0.000 0.734 145 Q CA 1.100 56.942 55.803 0.065 0.000 0.833 145 Q CB -0.073 28.711 28.738 0.076 0.000 1.217 145 Q HN 1.297 nan 8.270 nan 0.000 0.401 146 T N -1.945 112.634 114.554 0.041 0.000 12.278 146 T HA -0.406 3.944 4.350 -0.000 0.000 0.418 146 T C 1.356 176.075 174.700 0.030 0.000 1.446 146 T CA 3.844 65.963 62.100 0.031 0.000 2.394 146 T CB -1.348 67.535 68.868 0.024 0.000 2.852 146 T HN 0.400 nan 8.240 nan 0.000 0.835 147 E N 1.449 121.667 120.200 0.030 0.000 2.347 147 E HA 0.076 4.425 4.350 -0.000 0.000 0.196 147 E C 2.062 178.680 176.600 0.030 0.000 1.008 147 E CA 1.384 57.800 56.400 0.027 0.000 0.852 147 E CB -0.769 28.946 29.700 0.024 0.000 0.783 147 E HN 0.876 nan 8.360 nan 0.000 0.505 148 Q N -1.136 118.687 119.800 0.039 0.000 2.541 148 Q HA -0.074 4.266 4.340 -0.000 0.000 0.215 148 Q C 1.766 177.791 176.000 0.041 0.000 0.977 148 Q CA 1.080 56.909 55.803 0.043 0.000 0.934 148 Q CB 0.264 29.039 28.738 0.063 0.000 0.988 148 Q HN 0.668 nan 8.270 nan 0.000 0.521 149 Q N -0.897 118.924 119.800 0.036 0.000 2.396 149 Q HA -0.013 4.327 4.340 -0.000 0.000 0.209 149 Q C 1.907 177.923 176.000 0.027 0.000 0.906 149 Q CA 0.775 56.596 55.803 0.030 0.000 0.927 149 Q CB 0.551 29.304 28.738 0.026 0.000 1.069 149 Q HN 0.380 nan 8.270 nan 0.000 0.523 150 Q N 0.067 119.883 119.800 0.026 0.000 2.425 150 Q HA 0.008 4.348 4.340 -0.000 0.000 0.204 150 Q C 1.387 177.402 176.000 0.026 0.000 0.933 150 Q CA 0.663 56.481 55.803 0.025 0.000 0.939 150 Q CB 0.086 28.837 28.738 0.022 0.000 1.044 150 Q HN 0.220 nan 8.270 nan 0.000 0.513 151 E N 0.217 120.434 120.200 0.028 0.000 2.060 151 E HA -0.049 4.301 4.350 -0.000 0.000 0.189 151 E C -0.642 175.978 176.600 0.033 0.000 0.974 151 E CA 1.027 57.443 56.400 0.027 0.000 0.808 151 E CB -0.591 29.123 29.700 0.024 0.000 0.768 151 E HN 0.516 nan 8.360 nan 0.000 0.453 152 P HA -0.080 nan 4.420 nan 0.000 0.220 152 P C 1.283 178.622 177.300 0.065 0.000 1.144 152 P CA 1.086 64.214 63.100 0.047 0.000 0.800 152 P CB -0.059 31.664 31.700 0.039 0.000 0.772 153 S N 0.823 116.555 115.700 0.054 0.000 2.407 153 S HA -0.230 4.240 4.470 -0.000 0.000 0.235 153 S C 2.194 176.832 174.600 0.063 0.000 1.036 153 S CA 1.511 59.748 58.200 0.061 0.000 1.013 153 S CB -1.138 62.087 63.200 0.041 0.000 0.820 153 S HN 0.273 nan 8.310 nan 0.000 0.476 154 A N 1.653 124.495 122.820 0.036 0.000 1.997 154 A HA -0.071 4.249 4.320 -0.000 0.000 0.221 154 A C 2.362 179.973 177.584 0.046 0.000 1.172 154 A CA 1.912 53.968 52.037 0.031 0.000 0.645 154 A CB -1.157 17.854 19.000 0.018 0.000 0.813 154 A HN 0.586 nan 8.150 nan 0.000 0.454 155 A N -0.162 122.699 122.820 0.068 0.000 1.851 155 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 155 A C 2.123 179.829 177.584 0.202 0.000 1.195 155 A CA 2.283 54.391 52.037 0.118 0.000 0.622 155 A CB -0.575 18.513 19.000 0.147 0.000 0.831 155 A HN 0.516 nan 8.150 nan 0.000 0.444 156 R N -0.239 120.364 120.500 0.171 0.000 2.171 156 R HA -0.256 4.084 4.340 -0.000 0.000 0.232 156 R C 2.313 178.709 176.300 0.159 0.000 1.116 156 R CA 2.666 58.861 56.100 0.159 0.000 0.901 156 R CB -1.051 29.295 30.300 0.077 0.000 0.850 156 R HN 0.666 nan 8.270 nan 0.000 0.431 157 Q N -0.915 118.939 119.800 0.091 0.000 2.197 157 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 157 Q C 2.055 178.091 176.000 0.059 0.000 0.993 157 Q CA 2.163 58.004 55.803 0.064 0.000 0.883 157 Q CB -0.311 28.450 28.738 0.038 0.000 0.916 157 Q HN 0.577 nan 8.270 nan 0.000 0.418 158 A N -0.095 122.754 122.820 0.048 0.000 1.902 158 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 158 A C 1.758 179.315 177.584 -0.044 0.000 1.181 158 A CA 1.142 53.162 52.037 -0.028 0.000 0.623 158 A CB -0.714 18.230 19.000 -0.094 0.000 0.818 158 A HN 0.361 nan 8.150 nan 0.000 0.443 159 F N -0.587 119.360 119.950 -0.004 0.000 2.146 159 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 159 F C 2.565 178.361 175.800 -0.007 0.000 1.096 159 F CA 1.590 59.587 58.000 -0.005 0.000 1.275 159 F CB -0.140 38.857 39.000 -0.005 0.000 1.008 159 F HN 0.103 nan 8.300 nan 0.000 0.480 160 R N 0.548 121.161 120.500 0.188 0.000 2.091 160 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 160 R C 2.285 178.619 176.300 0.058 0.000 1.136 160 R CA 1.806 57.963 56.100 0.096 0.000 0.959 160 R CB -0.279 30.059 30.300 0.063 0.000 0.856 160 R HN 0.192 nan 8.270 nan 0.000 0.437 161 K N 0.712 121.136 120.400 0.040 0.000 2.148 161 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 161 K C 1.204 177.808 176.600 0.008 0.000 1.050 161 K CA 1.320 57.616 56.287 0.015 0.000 0.942 161 K CB 0.191 32.691 32.500 0.000 0.000 0.724 161 K HN 0.053 nan 8.250 nan 0.000 0.446 162 K N 0.348 120.753 120.400 0.008 0.000 2.487 162 K HA -0.003 4.317 4.320 -0.000 0.000 0.192 162 K C 0.785 177.406 176.600 0.035 0.000 1.027 162 K CA 0.038 56.325 56.287 0.000 0.000 1.054 162 K CB 0.286 32.760 32.500 -0.043 0.000 0.824 162 K HN 0.047 nan 8.250 nan 0.000 0.510 163 L N 0.710 121.962 121.223 0.049 0.000 2.791 163 L HA 0.150 4.490 4.340 -0.000 0.000 0.239 163 L C 0.550 177.433 176.870 0.023 0.000 1.203 163 L CA 0.357 55.225 54.840 0.047 0.000 1.002 163 L CB 0.191 42.284 42.059 0.057 0.000 1.295 163 L HN -0.098 nan 8.230 nan 0.000 0.504 164 R N -0.422 120.088 120.500 0.016 0.000 2.509 164 R HA 0.424 4.764 4.340 -0.000 0.000 0.300 164 R C 0.868 177.171 176.300 0.006 0.000 0.985 164 R CA 0.885 56.990 56.100 0.009 0.000 1.092 164 R CB 0.403 30.707 30.300 0.007 0.000 1.237 164 R HN 0.520 nan 8.270 nan 0.000 0.546 165 E N -0.001 120.204 120.200 0.008 0.000 3.688 165 E HA 0.244 4.594 4.350 -0.000 0.000 0.217 165 E C 0.560 177.164 176.600 0.008 0.000 1.289 165 E CA 0.212 56.616 56.400 0.006 0.000 1.408 165 E CB -0.536 29.166 29.700 0.003 0.000 2.370 165 E HN 0.167 nan 8.360 nan 0.000 0.584 166 G N 0.962 109.769 108.800 0.011 0.000 2.355 166 G HA2 0.478 4.438 3.960 -0.000 0.000 0.276 166 G HA3 0.478 4.438 3.960 -0.000 0.000 0.276 166 G C 0.060 174.975 174.900 0.025 0.000 1.198 166 G CA 0.672 45.781 45.100 0.014 0.000 0.876 166 G HN 0.479 nan 8.290 nan 0.000 0.478 167 Q N 1.788 121.601 119.800 0.022 0.000 2.789 167 Q HA 0.518 4.858 4.340 -0.000 0.000 0.334 167 Q C 0.756 176.769 176.000 0.021 0.000 0.924 167 Q CA -0.896 54.922 55.803 0.026 0.000 0.717 167 Q CB 0.517 29.267 28.738 0.020 0.000 3.450 167 Q HN 0.464 nan 8.270 nan 0.000 0.266 168 L N 0.368 121.600 121.223 0.015 0.000 4.179 168 L HA -0.219 4.121 4.340 -0.000 0.000 0.418 168 L C -0.539 176.339 176.870 0.013 0.000 1.168 168 L CA 1.412 56.259 54.840 0.011 0.000 0.972 168 L CB -2.183 39.881 42.059 0.009 0.000 2.005 168 L HN 0.729 nan 8.230 nan 0.000 0.935 169 D N -0.457 119.954 120.400 0.018 0.000 2.304 169 D HA 0.565 5.205 4.640 -0.000 0.000 0.247 169 D C 0.494 176.801 176.300 0.011 0.000 1.089 169 D CA 0.177 54.189 54.000 0.019 0.000 0.910 169 D CB 0.590 41.408 40.800 0.029 0.000 1.199 169 D HN 0.497 nan 8.370 nan 0.000 0.426 170 D N -0.001 120.404 120.400 0.009 0.000 2.411 170 D HA 0.566 5.206 4.640 -0.000 0.000 0.225 170 D C 0.448 176.748 176.300 0.001 0.000 1.156 170 D CA 0.386 54.389 54.000 0.004 0.000 0.874 170 D CB 0.311 41.114 40.800 0.004 0.000 1.034 170 D HN 0.821 nan 8.370 nan 0.000 0.502 171 K N 0.645 121.043 120.400 -0.003 0.000 1.966 171 K HA 0.961 5.281 4.320 -0.000 0.000 0.252 171 K C -0.298 176.296 176.600 -0.011 0.000 1.033 171 K CA -0.022 56.259 56.287 -0.010 0.000 1.000 171 K CB 0.603 33.093 32.500 -0.017 0.000 1.778 171 K HN 0.876 nan 8.250 nan 0.000 0.750 172 E N -0.328 119.863 120.200 -0.015 0.000 2.481 172 E HA 0.559 4.909 4.350 -0.000 0.000 0.301 172 E C -1.188 175.401 176.600 -0.018 0.000 0.948 172 E CA -0.599 55.793 56.400 -0.014 0.000 0.804 172 E CB 0.746 30.439 29.700 -0.011 0.000 1.265 172 E HN 0.533 nan 8.360 nan 0.000 0.406 173 I N 0.179 120.738 120.570 -0.017 0.000 3.322 173 I HA 0.602 4.772 4.170 -0.000 0.000 0.313 173 I C -0.232 175.876 176.117 -0.016 0.000 1.129 173 I CA -1.290 59.998 61.300 -0.020 0.000 0.963 173 I CB 1.634 39.620 38.000 -0.023 0.000 1.273 173 I HN 0.345 nan 8.210 nan 0.000 0.473 211 Q N 0.392 120.190 119.800 -0.004 0.000 2.563 211 Q HA 0.651 4.991 4.340 -0.000 0.000 0.186 211 Q C 1.385 177.382 176.000 -0.005 0.000 0.805 211 Q CA 1.702 57.502 55.803 -0.005 0.000 0.828 211 Q CB 0.240 28.974 28.738 -0.006 0.000 1.157 211 Q HN 0.653 nan 8.270 nan 0.000 0.619 212 K N -4.567 115.829 120.400 -0.006 0.000 1.636 212 K HA 0.516 4.836 4.320 -0.000 0.000 0.293 212 K C -0.739 175.857 176.600 -0.007 0.000 0.829 212 K CA 0.335 56.618 56.287 -0.007 0.000 0.384 212 K CB 0.511 33.006 32.500 -0.008 0.000 3.022 212 K HN 1.333 nan 8.250 nan 0.000 1.074 213 A N 1.119 123.934 122.820 -0.008 0.000 3.300 213 A HA -0.132 4.188 4.320 -0.000 0.000 0.234 213 A C -0.246 177.334 177.584 -0.007 0.000 1.310 213 A CA 1.032 53.064 52.037 -0.008 0.000 1.123 213 A CB -1.596 17.400 19.000 -0.007 0.000 1.143 213 A HN 0.306 nan 8.150 nan 0.000 0.853 214 R N -0.411 120.085 120.500 -0.007 0.000 2.457 214 R HA 0.578 4.918 4.340 -0.000 0.000 0.284 214 R C 0.217 176.513 176.300 -0.006 0.000 1.024 214 R CA 0.370 56.466 56.100 -0.005 0.000 1.025 214 R CB 0.877 31.175 30.300 -0.005 0.000 1.063 214 R HN 0.619 nan 8.270 nan 0.000 0.493 215 K N 4.446 124.843 120.400 -0.005 0.000 2.354 215 K HA 0.314 4.634 4.320 -0.000 0.000 0.257 215 K C 0.096 176.694 176.600 -0.003 0.000 1.062 215 K CA -0.431 55.853 56.287 -0.005 0.000 0.971 215 K CB -0.019 32.479 32.500 -0.004 0.000 1.305 215 K HN 0.632 nan 8.250 nan 0.000 0.449 216 L N -1.689 119.532 121.223 -0.004 0.000 2.777 216 L HA 0.946 5.286 4.340 -0.000 0.000 0.218 216 L C 0.532 177.401 176.870 -0.001 0.000 1.960 216 L CA -0.967 53.872 54.840 -0.002 0.000 2.783 216 L CB 0.318 42.375 42.059 -0.003 0.000 2.715 216 L HN 0.381 nan 8.230 nan 0.000 0.652 217 K N -0.213 120.186 120.400 -0.001 0.000 2.427 217 K HA 0.506 4.826 4.320 -0.000 0.000 0.252 217 K C 0.108 176.708 176.600 0.000 0.000 0.931 217 K CA -0.160 56.127 56.287 0.001 0.000 0.793 217 K CB 1.015 33.516 32.500 0.002 0.000 1.211 217 K HN 0.690 nan 8.250 nan 0.000 0.426 218 I N 1.715 122.286 120.570 0.001 0.000 2.300 218 I HA -0.341 3.828 4.170 -0.000 0.000 0.252 218 I C 2.872 178.990 176.117 0.001 0.000 1.119 218 I CA 2.851 64.151 61.300 0.001 0.000 1.384 218 I CB 0.046 38.050 38.000 0.006 0.000 1.062 218 I HN 0.915 nan 8.210 nan 0.000 0.426 219 K N 0.147 120.549 120.400 0.003 0.000 1.969 219 K HA -0.274 4.045 4.320 -0.000 0.000 0.216 219 K C 1.685 178.285 176.600 -0.000 0.000 1.048 219 K CA 2.151 58.439 56.287 0.002 0.000 0.948 219 K CB -1.431 31.071 32.500 0.003 0.000 0.726 219 K HN 0.452 nan 8.250 nan 0.000 0.442 220 D N -0.067 120.333 120.400 -0.000 0.000 2.351 220 D HA 0.002 4.642 4.640 -0.000 0.000 0.216 220 D C 1.778 178.076 176.300 -0.003 0.000 0.968 220 D CA 1.216 55.215 54.000 -0.001 0.000 0.899 220 D CB -0.033 40.766 40.800 -0.001 0.000 0.907 220 D HN 0.559 nan 8.370 nan 0.000 0.514 221 A N 0.364 123.181 122.820 -0.005 0.000 2.095 221 A HA 0.041 4.361 4.320 -0.000 0.000 0.212 221 A C 1.949 179.528 177.584 -0.009 0.000 1.162 221 A CA 0.122 52.155 52.037 -0.008 0.000 0.753 221 A CB -0.144 18.850 19.000 -0.010 0.000 0.840 221 A HN 0.099 nan 8.150 nan 0.000 0.468 222 M N -0.279 119.316 119.600 -0.009 0.000 2.539 222 M HA -0.057 4.422 4.480 -0.000 0.000 0.261 222 M C 1.141 177.435 176.300 -0.010 0.000 1.069 222 M CA 1.501 56.795 55.300 -0.011 0.000 1.081 222 M CB -0.424 32.171 32.600 -0.008 0.000 1.412 222 M HN 0.217 nan 8.290 nan 0.000 0.482 223 K N -0.553 119.843 120.400 -0.007 0.000 2.063 223 K HA 0.169 4.489 4.320 -0.000 0.000 0.204 223 K C 1.703 178.300 176.600 -0.005 0.000 1.039 223 K CA 0.835 57.119 56.287 -0.005 0.000 0.957 223 K CB -0.798 31.701 32.500 -0.003 0.000 0.764 223 K HN 0.162 nan 8.250 nan 0.000 0.447 224 L N 1.015 122.235 121.223 -0.005 0.000 2.081 224 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 224 L C 2.036 178.902 176.870 -0.007 0.000 1.080 224 L CA 1.498 56.335 54.840 -0.005 0.000 0.754 224 L CB -0.994 41.062 42.059 -0.005 0.000 0.893 224 L HN 0.220 nan 8.230 nan 0.000 0.433 225 L N -0.511 120.706 121.223 -0.010 0.000 2.141 225 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 225 L C 2.571 179.434 176.870 -0.012 0.000 1.094 225 L CA 1.417 56.249 54.840 -0.012 0.000 0.763 225 L CB -0.682 41.367 42.059 -0.017 0.000 0.908 225 L HN 0.241 nan 8.230 nan 0.000 0.437 226 I N -0.336 120.227 120.570 -0.011 0.000 2.286 226 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 226 I C 2.503 178.617 176.117 -0.004 0.000 1.115 226 I CA 1.072 62.366 61.300 -0.010 0.000 1.392 226 I CB -0.186 37.809 38.000 -0.008 0.000 1.065 226 I HN 0.363 nan 8.210 nan 0.000 0.418 227 E N 1.737 121.935 120.200 -0.003 0.000 1.996 227 E HA -0.265 4.084 4.350 -0.000 0.000 0.197 227 E C 1.983 178.583 176.600 -0.000 0.000 1.002 227 E CA 1.613 58.013 56.400 0.000 0.000 0.840 227 E CB -0.157 29.543 29.700 0.000 0.000 0.786 227 E HN 0.413 nan 8.360 nan 0.000 0.469 228 E N 0.008 120.206 120.200 -0.002 0.000 2.197 228 E HA -0.293 4.057 4.350 -0.000 0.000 0.205 228 E C 2.097 178.695 176.600 -0.003 0.000 1.029 228 E CA 1.693 58.091 56.400 -0.002 0.000 0.828 228 E CB -0.105 29.592 29.700 -0.005 0.000 0.737 228 E HN 0.247 nan 8.360 nan 0.000 0.464 229 E N 0.161 120.358 120.200 -0.005 0.000 2.086 229 E HA -0.010 4.339 4.350 -0.000 0.000 0.190 229 E C 1.819 178.419 176.600 0.000 0.000 0.975 229 E CA 1.076 57.472 56.400 -0.005 0.000 0.813 229 E CB -0.164 29.529 29.700 -0.011 0.000 0.768 229 E HN 0.235 nan 8.360 nan 0.000 0.457 230 A N 0.829 123.651 122.820 0.002 0.000 1.877 230 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 230 A C 2.398 179.988 177.584 0.009 0.000 1.186 230 A CA 1.994 54.036 52.037 0.009 0.000 0.620 230 A CB -0.966 18.040 19.000 0.010 0.000 0.822 230 A HN 0.333 nan 8.150 nan 0.000 0.443 231 A N -0.606 122.218 122.820 0.007 0.000 2.015 231 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 231 A C 2.063 179.651 177.584 0.007 0.000 1.163 231 A CA 1.838 53.879 52.037 0.007 0.000 0.646 231 A CB -0.368 18.635 19.000 0.006 0.000 0.806 231 A HN 0.538 nan 8.150 nan 0.000 0.448 232 K N -1.086 119.317 120.400 0.005 0.000 2.296 232 K HA 0.041 4.361 4.320 -0.000 0.000 0.200 232 K C 1.260 177.864 176.600 0.007 0.000 1.048 232 K CA 0.645 56.935 56.287 0.004 0.000 0.966 232 K CB -0.057 32.444 32.500 0.001 0.000 0.754 232 K HN 0.358 nan 8.250 nan 0.000 0.466 233 L N 0.658 121.886 121.223 0.009 0.000 2.607 233 L HA 0.235 4.575 4.340 -0.000 0.000 0.228 233 L C -0.339 176.539 176.870 0.014 0.000 1.123 233 L CA 0.235 55.082 54.840 0.012 0.000 0.890 233 L CB 0.850 42.919 42.059 0.016 0.000 1.103 233 L HN -0.181 nan 8.230 nan 0.000 0.468 234 V N 1.240 121.161 119.914 0.012 0.000 2.472 234 V HA 0.393 4.513 4.120 -0.000 0.000 0.290 234 V C -0.267 175.835 176.094 0.012 0.000 1.037 234 V CA -0.737 61.570 62.300 0.013 0.000 0.908 234 V CB 1.592 33.422 31.823 0.012 0.000 0.985 234 V HN 0.335 nan 8.190 nan 0.000 0.454 235 N N 8.327 127.034 118.700 0.013 0.000 2.801 235 N HA 0.342 5.082 4.740 -0.000 0.000 0.235 235 N C -1.416 174.102 175.510 0.013 0.000 1.069 235 N CA -1.952 51.106 53.050 0.013 0.000 0.946 235 N CB 1.631 40.126 38.487 0.014 0.000 1.212 235 N HN 0.446 nan 8.380 nan 0.000 0.509 236 P HA -0.191 nan 4.420 nan 0.000 0.218 236 P C 0.796 178.107 177.300 0.018 0.000 1.146 236 P CA 1.240 64.349 63.100 0.015 0.000 0.820 236 P CB 0.695 32.405 31.700 0.016 0.000 0.778 237 E N 0.738 120.949 120.200 0.018 0.000 2.060 237 E HA -0.114 4.236 4.350 -0.000 0.000 0.189 237 E C 1.348 177.959 176.600 0.019 0.000 0.974 237 E CA 0.953 57.365 56.400 0.020 0.000 0.808 237 E CB -0.687 29.024 29.700 0.018 0.000 0.768 237 E HN -0.014 nan 8.360 nan 0.000 0.453 238 E N -0.444 119.766 120.200 0.017 0.000 2.321 238 E HA 0.133 4.483 4.350 -0.000 0.000 0.189 238 E C 0.364 176.974 176.600 0.016 0.000 1.125 238 E CA -0.034 56.376 56.400 0.017 0.000 1.005 238 E CB 0.321 30.031 29.700 0.017 0.000 1.140 238 E HN 0.237 nan 8.360 nan 0.000 0.457 239 L N -0.014 121.218 121.223 0.014 0.000 2.738 239 L HA 0.166 4.506 4.340 -0.000 0.000 0.175 239 L C 1.690 178.560 176.870 0.001 0.000 1.125 239 L CA 0.504 55.349 54.840 0.008 0.000 0.857 239 L CB -0.065 41.997 42.059 0.005 0.000 1.300 239 L HN -0.118 nan 8.230 nan 0.000 0.499 240 K N 0.124 120.526 120.400 0.003 0.000 2.519 240 K HA -0.175 4.144 4.320 -0.000 0.000 0.196 240 K C 1.406 178.018 176.600 0.020 0.000 1.041 240 K CA 1.280 57.568 56.287 0.002 0.000 0.954 240 K CB -0.008 32.512 32.500 0.033 0.000 0.774 240 K HN 0.483 nan 8.250 nan 0.000 0.480 241 Q N 0.437 120.249 119.800 0.019 0.000 2.352 241 Q HA -0.010 4.330 4.340 -0.000 0.000 0.212 241 Q C 0.134 176.143 176.000 0.016 0.000 0.888 241 Q CA 0.379 56.195 55.803 0.022 0.000 0.934 241 Q CB 0.504 29.255 28.738 0.021 0.000 1.093 241 Q HN 0.270 nan 8.270 nan 0.000 0.523 242 D N 0.629 121.037 120.400 0.014 0.000 2.183 242 D HA 0.030 4.670 4.640 -0.000 0.000 0.205 242 D C 1.689 177.998 176.300 0.015 0.000 0.962 242 D CA 1.208 55.218 54.000 0.018 0.000 0.849 242 D CB -0.167 40.647 40.800 0.023 0.000 0.978 242 D HN 0.282 nan 8.370 nan 0.000 0.488 243 A N 1.131 123.952 122.820 0.002 0.000 1.883 243 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 243 A C 2.307 179.893 177.584 0.004 0.000 1.186 243 A CA 1.116 53.150 52.037 -0.005 0.000 0.624 243 A CB -0.871 18.102 19.000 -0.046 0.000 0.822 243 A HN 0.201 nan 8.150 nan 0.000 0.444 244 I N 0.090 120.665 120.570 0.009 0.000 2.163 244 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 244 I C 1.775 177.887 176.117 -0.007 0.000 1.085 244 I CA 1.602 62.910 61.300 0.013 0.000 1.347 244 I CB -0.639 37.375 38.000 0.024 0.000 1.044 244 I HN 0.275 nan 8.210 nan 0.000 0.408 245 D N 1.242 121.634 120.400 -0.013 0.000 2.178 245 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 245 D C 2.205 178.458 176.300 -0.079 0.000 0.980 245 D CA 1.530 55.504 54.000 -0.043 0.000 0.842 245 D CB -0.174 40.610 40.800 -0.026 0.000 0.948 245 D HN 0.404 nan 8.370 nan 0.000 0.472 246 A N 0.824 123.630 122.820 -0.023 0.000 1.840 246 A HA -0.101 4.218 4.320 -0.000 0.000 0.214 246 A C 2.574 180.145 177.584 -0.022 0.000 1.198 246 A CA 1.169 53.217 52.037 0.019 0.000 0.608 246 A CB -0.866 18.183 19.000 0.080 0.000 0.839 246 A HN 0.110 nan 8.150 nan 0.000 0.443 247 V N 0.768 120.678 119.914 -0.007 0.000 2.250 247 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 247 V C 2.439 178.510 176.094 -0.038 0.000 1.060 247 V CA 2.514 64.806 62.300 -0.012 0.000 1.030 247 V CB -1.057 30.765 31.823 -0.001 0.000 0.643 247 V HN 0.652 nan 8.190 nan 0.000 0.445 248 E N -0.665 119.506 120.200 -0.047 0.000 2.150 248 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 248 E C 2.276 178.826 176.600 -0.082 0.000 0.985 248 E CA 0.956 57.332 56.400 -0.040 0.000 0.814 248 E CB -0.109 29.575 29.700 -0.028 0.000 0.752 248 E HN 0.595 nan 8.360 nan 0.000 0.466 249 Q N -0.598 119.064 119.800 -0.230 0.000 2.297 249 Q HA 0.016 4.356 4.340 -0.000 0.000 0.203 249 Q C 1.344 176.988 176.000 -0.593 0.000 0.931 249 Q CA 0.912 56.428 55.803 -0.478 0.000 0.885 249 Q CB 0.513 28.796 28.738 -0.758 0.000 0.991 249 Q HN 0.465 nan 8.270 nan 0.000 0.498 250 H N -1.358 117.689 119.070 -0.038 0.000 3.360 250 H HA 0.251 4.807 4.556 -0.000 0.000 0.262 250 H C 0.565 175.894 175.328 0.001 0.000 1.149 250 H CA 0.257 56.295 56.048 -0.017 0.000 1.181 250 H CB 0.273 30.019 29.762 -0.027 0.000 1.564 250 H HN 0.078 nan 8.280 nan 0.000 0.565 251 G N 1.979 110.808 108.800 0.048 0.000 2.349 251 G HA2 0.183 4.143 3.960 -0.000 0.000 0.232 251 G HA3 0.183 4.143 3.960 -0.000 0.000 0.232 251 G C -0.047 174.833 174.900 -0.035 0.000 1.240 251 G CA 0.075 45.175 45.100 -0.001 0.000 0.870 251 G HN 0.255 nan 8.290 nan 0.000 0.528 252 I N 1.803 122.362 120.570 -0.019 0.000 2.468 252 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 252 I C -0.555 175.454 176.117 -0.178 0.000 1.039 252 I CA -0.773 60.523 61.300 -0.008 0.000 1.074 252 I CB 2.322 40.486 38.000 0.274 0.000 1.228 252 I HN 0.114 nan 8.210 nan 0.000 0.436 253 V N 6.630 126.337 119.914 -0.346 0.000 2.384 253 V HA 0.324 4.444 4.120 -0.000 0.000 0.287 253 V C -0.703 175.333 176.094 -0.097 0.000 1.020 253 V CA -0.587 61.511 62.300 -0.336 0.000 0.850 253 V CB 1.856 33.399 31.823 -0.467 0.000 0.987 253 V HN 0.463 nan 8.190 nan 0.000 0.436 254 F N 6.765 126.562 119.950 -0.255 0.000 2.334 254 F HA 0.589 5.116 4.527 -0.000 0.000 0.367 254 F C 0.042 175.854 175.800 0.020 0.000 1.115 254 F CA -0.645 57.337 58.000 -0.029 0.000 1.116 254 F CB 0.715 39.745 39.000 0.050 0.000 1.230 254 F HN 0.378 nan 8.300 nan 0.000 0.484 255 I N 5.758 126.170 120.570 -0.263 0.000 2.282 255 I HA 0.121 4.290 4.170 -0.000 0.000 0.290 255 I C -0.012 175.945 176.117 -0.267 0.000 1.090 255 I CA -0.485 60.747 61.300 -0.115 0.000 1.231 255 I CB 0.065 38.059 38.000 -0.009 0.000 1.434 255 I HN 0.492 nan 8.210 nan 0.000 0.487 256 D N 5.929 126.296 120.400 -0.055 0.000 2.382 256 D HA -0.037 4.603 4.640 -0.000 0.000 0.240 256 D C 0.858 177.176 176.300 0.030 0.000 1.146 256 D CA 0.269 54.313 54.000 0.073 0.000 0.897 256 D CB 0.650 41.654 40.800 0.339 0.000 1.197 256 D HN 0.691 nan 8.370 nan 0.000 0.432 257 E N 1.183 121.392 120.200 0.016 0.000 2.328 257 E HA -0.303 4.047 4.350 -0.000 0.000 0.233 257 E C 0.504 177.059 176.600 -0.075 0.000 1.219 257 E CA 0.275 56.650 56.400 -0.042 0.000 0.717 257 E CB -1.854 27.835 29.700 -0.017 0.000 1.210 257 E HN 0.629 nan 8.360 nan 0.000 0.381 258 I N 1.116 121.642 120.570 -0.073 0.000 2.614 258 I HA -0.230 3.940 4.170 -0.000 0.000 0.258 258 I C 1.922 177.977 176.117 -0.103 0.000 1.189 258 I CA 1.867 63.144 61.300 -0.039 0.000 1.462 258 I CB -0.145 37.866 38.000 0.017 0.000 1.092 258 I HN 0.409 nan 8.210 nan 0.000 0.442 259 D N 0.769 120.958 120.400 -0.351 0.000 2.264 259 D HA -0.238 4.402 4.640 -0.000 0.000 0.208 259 D C 1.521 177.657 176.300 -0.273 0.000 0.966 259 D CA 0.978 54.623 54.000 -0.592 0.000 0.864 259 D CB -0.500 39.395 40.800 -1.508 0.000 0.933 259 D HN 0.325 nan 8.370 nan 0.000 0.499 260 K N 0.391 120.681 120.400 -0.184 0.000 2.551 260 K HA 0.108 4.428 4.320 -0.000 0.000 0.192 260 K C 1.317 177.892 176.600 -0.042 0.000 1.027 260 K CA 0.266 56.495 56.287 -0.097 0.000 1.059 260 K CB -0.013 32.446 32.500 -0.070 0.000 0.831 260 K HN 0.466 nan 8.250 nan 0.000 0.508 261 I N -3.484 117.068 120.570 -0.030 0.000 3.833 261 I HA 0.235 4.405 4.170 -0.000 0.000 0.328 261 I C -0.164 175.960 176.117 0.011 0.000 1.554 261 I CA -0.741 60.563 61.300 0.006 0.000 1.116 261 I CB 0.224 38.241 38.000 0.030 0.000 1.182 261 I HN -0.188 nan 8.210 nan 0.000 0.459 262 C N 2.643 121.946 119.300 0.006 0.000 2.370 262 C HA 0.412 4.872 4.460 -0.000 0.000 0.354 262 C C 0.719 175.722 174.990 0.022 0.000 1.218 262 C CA -0.700 58.336 59.018 0.030 0.000 2.154 262 C CB 1.278 29.057 27.740 0.065 0.000 2.391 262 C HN 0.553 nan 8.230 nan 0.000 0.540 263 K N 1.631 122.047 120.400 0.026 0.000 2.485 263 K HA 0.357 4.677 4.320 -0.000 0.000 0.277 263 K C -0.431 176.182 176.600 0.021 0.000 0.990 263 K CA 0.130 56.429 56.287 0.020 0.000 0.994 263 K CB 0.529 33.040 32.500 0.018 0.000 0.906 263 K HN 0.560 nan 8.250 nan 0.000 0.488 264 R N 1.532 122.041 120.500 0.016 0.000 2.514 264 R HA 0.239 4.579 4.340 -0.000 0.000 0.296 264 R C -0.662 175.646 176.300 0.013 0.000 1.012 264 R CA -0.215 55.894 56.100 0.015 0.000 0.897 264 R CB 1.694 32.000 30.300 0.009 0.000 1.184 264 R HN 0.915 nan 8.270 nan 0.000 0.440 265 G N 3.296 112.104 108.800 0.013 0.000 2.687 265 G HA2 0.069 4.029 3.960 -0.000 0.000 0.288 265 G HA3 0.069 4.029 3.960 -0.000 0.000 0.288 265 G C 0.246 175.152 174.900 0.009 0.000 0.713 265 G CA 0.240 45.347 45.100 0.011 0.000 2.023 265 G HN 0.715 nan 8.290 nan 0.000 0.529 266 E N 0.382 120.587 120.200 0.009 0.000 2.624 266 E HA 0.071 4.421 4.350 -0.000 0.000 0.192 266 E C 0.137 176.742 176.600 0.009 0.000 0.961 266 E CA 0.289 56.694 56.400 0.008 0.000 1.632 266 E CB 0.591 30.295 29.700 0.006 0.000 2.082 266 E HN 0.391 nan 8.360 nan 0.000 1.040 267 S N -1.231 114.475 115.700 0.010 0.000 2.615 267 S HA 0.387 4.857 4.470 -0.000 0.000 0.268 267 S C -0.351 174.257 174.600 0.013 0.000 1.146 267 S CA 0.232 58.440 58.200 0.012 0.000 0.818 267 S CB 1.265 64.474 63.200 0.015 0.000 1.111 267 S HN 0.037 nan 8.310 nan 0.000 0.465 268 S N 0.751 116.459 115.700 0.013 0.000 2.545 268 S HA 0.256 4.726 4.470 -0.000 0.000 0.232 268 S C 1.788 176.396 174.600 0.013 0.000 1.070 268 S CA 1.255 59.461 58.200 0.011 0.000 0.923 268 S CB -0.842 62.363 63.200 0.008 0.000 0.806 268 S HN 0.947 nan 8.310 nan 0.000 0.506 269 G N 3.010 111.822 108.800 0.020 0.000 2.459 269 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 269 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 269 G C -0.627 174.294 174.900 0.035 0.000 1.183 269 G CA 1.118 46.233 45.100 0.026 0.000 0.776 269 G HN 0.587 nan 8.290 nan 0.000 0.552 270 P HA 0.099 nan 4.420 nan 0.000 0.247 270 P C -0.094 177.225 177.300 0.031 0.000 1.225 270 P CA 0.893 64.021 63.100 0.046 0.000 0.768 270 P CB 0.413 32.137 31.700 0.040 0.000 1.020 271 D N -0.881 119.532 120.400 0.022 0.000 2.431 271 D HA -0.029 4.611 4.640 -0.000 0.000 0.235 271 D C 2.029 178.335 176.300 0.010 0.000 0.980 271 D CA 0.512 54.521 54.000 0.015 0.000 0.912 271 D CB -0.371 40.435 40.800 0.011 0.000 1.056 271 D HN -0.126 nan 8.370 nan 0.000 0.494 272 V N 0.451 120.368 119.914 0.004 0.000 2.626 272 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 272 V C 2.358 178.450 176.094 -0.003 0.000 1.067 272 V CA 1.652 63.949 62.300 -0.006 0.000 1.081 272 V CB -0.286 31.528 31.823 -0.016 0.000 0.686 272 V HN 0.186 nan 8.190 nan 0.000 0.468 273 S N -0.132 115.573 115.700 0.010 0.000 2.345 273 S HA -0.169 4.301 4.470 -0.000 0.000 0.219 273 S C 2.164 176.785 174.600 0.034 0.000 1.031 273 S CA 1.375 59.591 58.200 0.026 0.000 0.984 273 S CB -0.106 63.128 63.200 0.057 0.000 0.874 273 S HN 0.530 nan 8.310 nan 0.000 0.451 274 R N 0.882 121.401 120.500 0.032 0.000 2.096 274 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 274 R C 2.552 178.863 176.300 0.020 0.000 1.134 274 R CA 1.977 58.094 56.100 0.029 0.000 0.917 274 R CB -0.477 29.836 30.300 0.021 0.000 0.832 274 R HN 0.515 nan 8.270 nan 0.000 0.430 275 E N -0.376 119.830 120.200 0.010 0.000 2.219 275 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 275 E C 1.956 178.550 176.600 -0.010 0.000 0.998 275 E CA 1.143 57.543 56.400 -0.000 0.000 0.818 275 E CB -0.200 29.498 29.700 -0.002 0.000 0.741 275 E HN 0.556 nan 8.360 nan 0.000 0.477 276 G N 1.186 109.983 108.800 -0.005 0.000 2.421 276 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 276 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 276 G C 1.746 176.633 174.900 -0.021 0.000 1.171 276 G CA 0.868 45.959 45.100 -0.014 0.000 0.775 276 G HN 0.174 nan 8.290 nan 0.000 0.543 277 V N 0.506 120.420 119.914 -0.000 0.000 2.568 277 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 277 V C 2.791 178.847 176.094 -0.062 0.000 1.072 277 V CA 2.021 64.313 62.300 -0.014 0.000 1.084 277 V CB -0.509 31.355 31.823 0.068 0.000 0.676 277 V HN 0.437 nan 8.190 nan 0.000 0.469 278 Q N -0.623 119.151 119.800 -0.042 0.000 2.096 278 Q HA -0.073 4.267 4.340 -0.000 0.000 0.197 278 Q C 2.580 178.533 176.000 -0.079 0.000 0.964 278 Q CA 0.847 56.616 55.803 -0.058 0.000 0.838 278 Q CB -0.121 28.598 28.738 -0.033 0.000 0.906 278 Q HN 0.501 nan 8.270 nan 0.000 0.444 279 R N 0.858 121.320 120.500 -0.065 0.000 2.115 279 R HA -0.093 4.247 4.340 -0.000 0.000 0.230 279 R C 1.421 177.667 176.300 -0.089 0.000 1.111 279 R CA 1.029 57.088 56.100 -0.069 0.000 0.976 279 R CB -0.282 29.987 30.300 -0.052 0.000 0.870 279 R HN 0.322 nan 8.270 nan 0.000 0.445 280 D N 0.495 120.834 120.400 -0.101 0.000 2.219 280 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 280 D C 1.774 177.968 176.300 -0.177 0.000 0.970 280 D CA 0.698 54.620 54.000 -0.130 0.000 0.851 280 D CB 0.096 40.812 40.800 -0.140 0.000 0.943 280 D HN 0.038 nan 8.370 nan 0.000 0.488 281 L N 0.287 121.396 121.223 -0.190 0.000 2.270 281 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 281 L C 2.006 178.747 176.870 -0.215 0.000 1.104 281 L CA 0.441 55.147 54.840 -0.223 0.000 0.804 281 L CB -0.405 41.527 42.059 -0.212 0.000 0.937 281 L HN -0.015 nan 8.230 nan 0.000 0.450 282 L N 1.294 122.417 121.223 -0.166 0.000 1.991 282 L HA -0.203 4.137 4.340 -0.000 0.000 0.221 282 L C -0.471 176.304 176.870 -0.158 0.000 1.079 282 L CA 2.549 57.298 54.840 -0.152 0.000 0.778 282 L CB -1.763 40.232 42.059 -0.107 0.000 0.893 282 L HN 0.212 nan 8.230 nan 0.000 0.437 283 P HA -0.207 nan 4.420 nan 0.000 0.215 283 P C 2.153 179.384 177.300 -0.115 0.000 1.153 283 P CA 1.822 64.859 63.100 -0.105 0.000 0.853 283 P CB -0.165 31.487 31.700 -0.080 0.000 0.788 284 L N -0.098 121.042 121.223 -0.139 0.000 2.042 284 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 284 L C 2.740 179.486 176.870 -0.207 0.000 1.076 284 L CA 1.888 56.668 54.840 -0.099 0.000 0.749 284 L CB -1.401 40.622 42.059 -0.060 0.000 0.893 284 L HN -0.047 nan 8.230 nan 0.000 0.432 285 V N -3.686 115.945 119.914 -0.471 0.000 3.129 285 V HA -0.045 4.075 4.120 -0.000 0.000 0.259 285 V C 1.910 177.866 176.094 -0.230 0.000 1.116 285 V CA 1.060 63.022 62.300 -0.563 0.000 1.127 285 V CB -0.090 31.299 31.823 -0.724 0.000 0.742 285 V HN 0.391 nan 8.190 nan 0.000 0.474 286 E N 1.118 121.216 120.200 -0.170 0.000 2.250 286 E HA 0.375 4.724 4.350 -0.000 0.000 0.192 286 E C 1.010 177.560 176.600 -0.084 0.000 0.986 286 E CA 0.679 57.014 56.400 -0.109 0.000 0.849 286 E CB 0.307 29.949 29.700 -0.096 0.000 0.797 286 E HN 0.861 nan 8.360 nan 0.000 0.482 287 G N 0.544 109.298 108.800 -0.076 0.000 3.306 287 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.672 287 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.672 287 G C -0.410 174.465 174.900 -0.043 0.000 1.212 287 G CA -0.533 44.531 45.100 -0.060 0.000 1.150 287 G HN 0.355 nan 8.290 nan 0.000 0.509 288 C N -0.172 119.112 119.300 -0.026 0.000 3.275 288 C HA 0.986 5.446 4.460 -0.000 0.000 0.373 288 C C 0.182 175.167 174.990 -0.007 0.000 1.934 288 C CA -0.250 58.755 59.018 -0.021 0.000 1.228 288 C CB 1.643 29.366 27.740 -0.028 0.000 2.317 288 C HN 1.228 nan 8.230 nan 0.000 0.437 289 T N 1.321 115.871 114.554 -0.006 0.000 2.840 289 T HA 0.638 4.988 4.350 -0.000 0.000 0.287 289 T C -0.684 174.017 174.700 0.001 0.000 0.991 289 T CA -0.172 61.929 62.100 0.001 0.000 0.964 289 T CB 1.317 70.186 68.868 0.002 0.000 0.954 289 T HN 0.740 nan 8.240 nan 0.000 0.438 290 V N 2.431 122.350 119.914 0.008 0.000 2.630 290 V HA 0.526 4.646 4.120 -0.000 0.000 0.305 290 V C 0.365 176.464 176.094 0.009 0.000 1.046 290 V CA -0.826 61.478 62.300 0.007 0.000 0.934 290 V CB 2.122 33.954 31.823 0.014 0.000 1.003 290 V HN 0.869 nan 8.190 nan 0.000 0.451 291 S N 2.241 117.943 115.700 0.003 0.000 2.452 291 S HA 0.486 4.956 4.470 -0.000 0.000 0.284 291 S C 0.133 174.729 174.600 -0.006 0.000 1.171 291 S CA -0.372 57.826 58.200 -0.002 0.000 1.064 291 S CB 0.628 63.823 63.200 -0.008 0.000 0.967 291 S HN 0.870 nan 8.310 nan 0.000 0.484 292 T N 2.534 117.084 114.554 -0.007 0.000 2.945 292 T HA 0.316 4.666 4.350 -0.000 0.000 0.286 292 T C 0.857 175.495 174.700 -0.103 0.000 1.025 292 T CA -0.999 61.086 62.100 -0.025 0.000 1.039 292 T CB 1.199 70.094 68.868 0.045 0.000 1.068 292 T HN 0.611 nan 8.240 nan 0.000 0.497 293 K N 0.691 120.932 120.400 -0.264 0.000 2.708 293 K HA 0.160 4.480 4.320 -0.000 0.000 0.219 293 K C -0.007 176.244 176.600 -0.582 0.000 1.068 293 K CA 0.073 56.145 56.287 -0.359 0.000 1.212 293 K CB -0.021 32.259 32.500 -0.366 0.000 0.978 293 K HN 0.590 nan 8.250 nan 0.000 0.475 294 H N -0.946 118.130 119.070 0.010 0.000 3.726 294 H HA 0.246 4.802 4.556 -0.000 0.000 0.262 294 H C 0.591 175.925 175.328 0.009 0.000 1.181 294 H CA 0.335 56.389 56.048 0.010 0.000 1.143 294 H CB 1.642 31.411 29.762 0.012 0.000 1.627 294 H HN 0.469 nan 8.280 nan 0.000 0.750 295 G N 0.887 109.726 108.800 0.065 0.000 2.334 295 G HA2 0.181 4.141 3.960 -0.000 0.000 0.249 295 G HA3 0.181 4.141 3.960 -0.000 0.000 0.249 295 G C -1.643 173.273 174.900 0.028 0.000 1.327 295 G CA -0.558 44.571 45.100 0.047 0.000 0.979 295 G HN 0.045 nan 8.290 nan 0.000 0.471 296 M N 1.168 120.785 119.600 0.027 0.000 2.067 296 M HA 0.640 5.120 4.480 -0.000 0.000 0.286 296 M C -0.779 175.534 176.300 0.021 0.000 0.922 296 M CA -0.400 54.911 55.300 0.019 0.000 0.937 296 M CB 1.746 34.354 32.600 0.013 0.000 1.550 296 M HN 0.501 nan 8.290 nan 0.000 0.433 297 V N 3.867 123.795 119.914 0.024 0.000 2.644 297 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 297 V C -0.184 175.920 176.094 0.018 0.000 1.053 297 V CA -0.720 61.594 62.300 0.022 0.000 0.987 297 V CB 1.774 33.614 31.823 0.028 0.000 1.006 297 V HN 0.702 nan 8.190 nan 0.000 0.472 298 K N 1.548 121.957 120.400 0.016 0.000 2.339 298 K HA 0.330 4.649 4.320 -0.000 0.000 0.264 298 K C 1.033 177.643 176.600 0.017 0.000 0.986 298 K CA -0.118 56.178 56.287 0.013 0.000 0.866 298 K CB 1.444 33.952 32.500 0.013 0.000 1.103 298 K HN 0.903 nan 8.250 nan 0.000 0.441 299 T N -0.059 114.511 114.554 0.025 0.000 3.055 299 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 299 T C 0.803 175.523 174.700 0.034 0.000 1.111 299 T CA 1.105 63.241 62.100 0.060 0.000 1.118 299 T CB -0.178 68.763 68.868 0.122 0.000 0.909 299 T HN 0.615 nan 8.240 nan 0.000 0.501 300 D N 1.372 121.738 120.400 -0.057 0.000 2.263 300 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 300 D C 1.584 177.634 176.300 -0.417 0.000 1.013 300 D CA 1.659 55.520 54.000 -0.232 0.000 0.892 300 D CB -0.257 40.348 40.800 -0.326 0.000 0.909 300 D HN 0.586 nan 8.370 nan 0.000 0.449 301 H N -1.138 117.942 119.070 0.017 0.000 2.755 301 H HA 0.274 4.830 4.556 -0.000 0.000 0.273 301 H C 0.525 175.853 175.328 -0.000 0.000 1.055 301 H CA -0.293 55.756 56.048 0.001 0.000 1.191 301 H CB 0.449 30.180 29.762 -0.052 0.000 1.536 301 H HN 0.171 nan 8.280 nan 0.000 0.529 302 I N 1.938 122.541 120.570 0.056 0.000 2.754 302 I HA -0.101 4.069 4.170 -0.000 0.000 0.285 302 I C 0.263 176.346 176.117 -0.057 0.000 1.166 302 I CA -0.204 61.059 61.300 -0.062 0.000 1.417 302 I CB 0.730 38.605 38.000 -0.208 0.000 1.382 302 I HN -0.056 nan 8.210 nan 0.000 0.588 303 L N 6.877 128.029 121.223 -0.119 0.000 2.289 303 L HA 0.487 4.827 4.340 -0.000 0.000 0.285 303 L C -1.124 175.632 176.870 -0.190 0.000 1.049 303 L CA 0.284 55.115 54.840 -0.015 0.000 0.804 303 L CB 0.671 42.767 42.059 0.061 0.000 1.195 303 L HN 0.206 nan 8.230 nan 0.000 0.428 304 F N 5.499 125.477 119.950 0.047 0.000 2.469 304 F HA 0.592 5.119 4.527 -0.000 0.000 0.332 304 F C 0.004 175.823 175.800 0.031 0.000 1.103 304 F CA -0.451 57.564 58.000 0.025 0.000 0.979 304 F CB 1.552 40.545 39.000 -0.012 0.000 1.137 304 F HN 0.240 nan 8.300 nan 0.000 0.463 305 I N 3.102 123.774 120.570 0.170 0.000 2.439 305 I HA 0.548 4.718 4.170 -0.000 0.000 0.283 305 I C -0.543 175.478 176.117 -0.160 0.000 1.023 305 I CA -0.682 60.672 61.300 0.089 0.000 1.100 305 I CB 1.463 39.605 38.000 0.237 0.000 1.238 305 I HN 0.659 nan 8.210 nan 0.000 0.445 306 A N 4.779 127.524 122.820 -0.124 0.000 2.320 306 A HA 0.893 5.213 4.320 -0.000 0.000 0.334 306 A C -0.189 177.270 177.584 -0.209 0.000 1.147 306 A CA -0.416 51.492 52.037 -0.214 0.000 0.820 306 A CB 1.440 20.414 19.000 -0.043 0.000 1.218 306 A HN 0.720 nan 8.150 nan 0.000 0.482 307 S N 0.020 115.581 115.700 -0.233 0.000 2.564 307 S HA 0.907 5.377 4.470 -0.000 0.000 0.274 307 S C -0.370 174.270 174.600 0.066 0.000 1.124 307 S CA -0.044 58.154 58.200 -0.003 0.000 0.869 307 S CB 1.650 64.894 63.200 0.074 0.000 1.105 307 S HN 2.171 nan 8.310 nan 0.000 0.472 308 G N -0.455 108.444 108.800 0.166 0.000 2.677 308 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 308 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 308 G C 0.226 175.146 174.900 0.033 0.000 1.435 308 G CA -0.236 44.794 45.100 -0.116 0.000 0.826 308 G HN 1.230 nan 8.290 nan 0.000 0.491 309 A N -0.348 122.396 122.820 -0.128 0.000 1.943 309 A HA 0.522 4.842 4.320 -0.000 0.000 0.213 309 A C 0.929 178.582 177.584 0.115 0.000 1.181 309 A CA 0.732 52.782 52.037 0.022 0.000 0.653 309 A CB -0.562 18.425 19.000 -0.022 0.000 0.833 309 A HN 1.413 nan 8.150 nan 0.000 0.451 310 F N -1.363 118.600 119.950 0.021 0.000 2.983 310 F HA -0.219 4.308 4.527 -0.000 0.000 0.288 310 F C 1.157 176.966 175.800 0.014 0.000 0.980 310 F CA 0.980 58.989 58.000 0.016 0.000 0.965 310 F CB -1.742 37.267 39.000 0.015 0.000 0.967 310 F HN 0.328 nan 8.300 nan 0.000 0.800 311 Q N 0.134 119.978 119.800 0.074 0.000 2.396 311 Q HA 0.191 4.531 4.340 -0.000 0.000 0.220 311 Q C 1.946 177.974 176.000 0.048 0.000 0.900 311 Q CA 1.315 57.155 55.803 0.062 0.000 0.925 311 Q CB 0.230 28.985 28.738 0.028 0.000 1.065 311 Q HN 0.586 nan 8.270 nan 0.000 0.535 312 I N -2.351 118.234 120.570 0.024 0.000 2.927 312 I HA 0.414 4.584 4.170 -0.000 0.000 0.268 312 I C 0.811 176.956 176.117 0.048 0.000 1.153 312 I CA -0.096 61.216 61.300 0.019 0.000 1.459 312 I CB -0.882 37.111 38.000 -0.011 0.000 1.149 312 I HN -0.060 nan 8.210 nan 0.000 0.443 313 A N 0.659 123.524 122.820 0.076 0.000 2.347 313 A HA 0.853 5.173 4.320 -0.000 0.000 0.301 313 A C -0.387 177.403 177.584 0.344 0.000 1.163 313 A CA -0.638 51.492 52.037 0.155 0.000 0.860 313 A CB 1.296 20.370 19.000 0.123 0.000 1.367 313 A HN 0.142 nan 8.150 nan 0.000 0.461 314 K N -0.381 120.205 120.400 0.310 0.000 2.435 314 K HA 0.420 4.739 4.320 -0.000 0.000 0.251 314 K C -2.333 174.297 176.600 0.050 0.000 0.954 314 K CA -1.768 54.635 56.287 0.193 0.000 0.820 314 K CB 2.151 34.683 32.500 0.053 0.000 1.292 314 K HN 0.208 nan 8.250 nan 0.000 0.436 315 P HA -0.212 nan 4.420 nan 0.000 0.220 315 P C 0.778 178.013 177.300 -0.109 0.000 1.144 315 P CA 1.274 64.138 63.100 -0.394 0.000 0.800 315 P CB 0.177 31.550 31.700 -0.546 0.000 0.772 316 S N -2.467 113.191 115.700 -0.069 0.000 2.607 316 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 316 S C 1.267 175.871 174.600 0.007 0.000 0.969 316 S CA 0.521 58.704 58.200 -0.029 0.000 0.927 316 S CB -0.640 62.544 63.200 -0.028 0.000 0.772 316 S HN 0.048 nan 8.310 nan 0.000 0.533 317 D N 0.647 121.072 120.400 0.043 0.000 2.339 317 D HA 0.265 4.905 4.640 -0.000 0.000 0.217 317 D C 0.186 176.520 176.300 0.057 0.000 1.050 317 D CA -0.079 53.955 54.000 0.056 0.000 0.856 317 D CB -0.030 40.822 40.800 0.086 0.000 0.922 317 D HN 0.285 nan 8.370 nan 0.000 0.518 318 L N 1.543 122.801 121.223 0.059 0.000 2.464 318 L HA 0.212 4.552 4.340 -0.000 0.000 0.264 318 L C 0.644 177.522 176.870 0.013 0.000 1.199 318 L CA -0.576 54.292 54.840 0.048 0.000 0.818 318 L CB 0.365 42.450 42.059 0.045 0.000 1.102 318 L HN 0.039 nan 8.230 nan 0.000 0.473 319 I N 1.752 122.322 120.570 0.000 0.000 2.692 319 I HA 0.181 4.351 4.170 -0.000 0.000 0.284 319 I C -1.322 174.783 176.117 -0.020 0.000 1.159 319 I CA -1.274 60.019 61.300 -0.012 0.000 1.423 319 I CB 0.206 38.194 38.000 -0.020 0.000 1.380 319 I HN 0.506 nan 8.210 nan 0.000 0.580 320 P HA -0.229 nan 4.420 nan 0.000 0.216 320 P C 1.035 178.316 177.300 -0.031 0.000 1.154 320 P CA 1.762 64.848 63.100 -0.023 0.000 0.865 320 P CB 0.142 31.830 31.700 -0.020 0.000 0.789 321 E N -0.817 119.361 120.200 -0.036 0.000 2.204 321 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 321 E C 1.985 178.550 176.600 -0.058 0.000 0.990 321 E CA 0.670 57.042 56.400 -0.046 0.000 0.821 321 E CB -0.841 28.829 29.700 -0.050 0.000 0.750 321 E HN 0.185 nan 8.360 nan 0.000 0.477 322 L N 0.237 121.427 121.223 -0.056 0.000 2.168 322 L HA -0.017 4.323 4.340 -0.000 0.000 0.203 322 L C 1.970 178.809 176.870 -0.053 0.000 1.078 322 L CA 1.471 56.271 54.840 -0.066 0.000 0.780 322 L CB -0.361 41.662 42.059 -0.059 0.000 0.939 322 L HN 0.046 nan 8.230 nan 0.000 0.451 323 Q N -0.892 118.885 119.800 -0.039 0.000 2.152 323 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 323 Q C 2.053 178.031 176.000 -0.037 0.000 0.985 323 Q CA 1.525 57.305 55.803 -0.038 0.000 0.863 323 Q CB -0.507 28.210 28.738 -0.035 0.000 0.904 323 Q HN 0.641 nan 8.270 nan 0.000 0.422 324 G N 0.595 109.373 108.800 -0.036 0.000 2.418 324 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 324 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 324 G C 1.338 176.219 174.900 -0.033 0.000 1.158 324 G CA 0.274 45.355 45.100 -0.032 0.000 0.771 324 G HN 0.109 nan 8.290 nan 0.000 0.545 325 R N -0.474 119.997 120.500 -0.048 0.000 2.320 325 R HA 0.213 4.553 4.340 -0.000 0.000 0.211 325 R C -0.097 176.180 176.300 -0.038 0.000 0.931 325 R CA -0.037 56.030 56.100 -0.054 0.000 1.071 325 R CB -0.007 30.233 30.300 -0.100 0.000 1.025 325 R HN 0.230 nan 8.270 nan 0.000 0.495 326 L N 1.744 122.950 121.223 -0.028 0.000 2.960 326 L HA 0.259 4.599 4.340 -0.000 0.000 0.274 326 L C -1.500 175.365 176.870 -0.008 0.000 1.327 326 L CA -1.932 52.901 54.840 -0.012 0.000 0.860 326 L CB 1.323 43.368 42.059 -0.024 0.000 1.239 326 L HN -0.124 nan 8.230 nan 0.000 0.551 327 P HA -0.186 nan 4.420 nan 0.000 0.217 327 P C 0.656 177.960 177.300 0.007 0.000 1.151 327 P CA 1.307 64.409 63.100 0.004 0.000 0.849 327 P CB 0.713 32.422 31.700 0.015 0.000 0.787 328 I N 1.003 121.584 120.570 0.018 0.000 2.325 328 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 328 I C 0.686 176.809 176.117 0.009 0.000 1.019 328 I CA -0.566 60.747 61.300 0.021 0.000 1.302 328 I CB 0.744 38.768 38.000 0.041 0.000 1.401 328 I HN -0.193 nan 8.210 nan 0.000 0.485 329 R N 5.857 126.355 120.500 -0.003 0.000 2.437 329 R HA 0.679 5.019 4.340 -0.000 0.000 0.310 329 R C -1.162 175.137 176.300 -0.002 0.000 0.955 329 R CA -0.807 55.280 56.100 -0.021 0.000 0.851 329 R CB 2.383 32.651 30.300 -0.054 0.000 1.161 329 R HN 0.394 nan 8.270 nan 0.000 0.446 330 V N 2.213 122.135 119.914 0.012 0.000 2.841 330 V HA 0.389 4.509 4.120 -0.000 0.000 0.310 330 V C -0.842 175.276 176.094 0.040 0.000 1.090 330 V CA -0.666 61.653 62.300 0.030 0.000 0.930 330 V CB 2.609 34.462 31.823 0.049 0.000 1.014 330 V HN 0.731 nan 8.190 nan 0.000 0.425 331 E N 4.478 124.702 120.200 0.040 0.000 2.202 331 E HA 0.635 4.985 4.350 -0.000 0.000 0.272 331 E C -1.609 175.030 176.600 0.064 0.000 0.951 331 E CA -0.714 55.718 56.400 0.053 0.000 0.813 331 E CB 2.291 32.015 29.700 0.040 0.000 1.151 331 E HN 0.464 nan 8.360 nan 0.000 0.398 332 L N 2.524 123.795 121.223 0.080 0.000 2.365 332 L HA 0.243 4.583 4.340 -0.000 0.000 0.273 332 L C -0.173 176.744 176.870 0.078 0.000 1.000 332 L CA -0.838 54.051 54.840 0.082 0.000 0.819 332 L CB 1.568 43.687 42.059 0.100 0.000 1.284 332 L HN 0.323 nan 8.230 nan 0.000 0.418 333 Q N 1.523 121.366 119.800 0.072 0.000 2.312 333 Q HA 0.579 4.919 4.340 -0.000 0.000 0.236 333 Q C -0.091 175.957 176.000 0.080 0.000 0.965 333 Q CA -0.447 55.397 55.803 0.069 0.000 0.894 333 Q CB 1.282 30.055 28.738 0.059 0.000 1.225 333 Q HN 0.709 nan 8.270 nan 0.000 0.478 334 A N 1.721 124.588 122.820 0.079 0.000 2.407 334 A HA 0.383 4.702 4.320 -0.000 0.000 0.248 334 A C -0.125 177.525 177.584 0.109 0.000 1.082 334 A CA -0.404 51.686 52.037 0.088 0.000 0.785 334 A CB 0.109 19.154 19.000 0.075 0.000 1.020 334 A HN 0.643 nan 8.150 nan 0.000 0.489 335 L N 1.689 122.993 121.223 0.134 0.000 2.371 335 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 335 L C 1.265 178.200 176.870 0.107 0.000 1.124 335 L CA -0.324 54.600 54.840 0.140 0.000 0.816 335 L CB 1.192 43.420 42.059 0.281 0.000 1.129 335 L HN 0.967 nan 8.230 nan 0.000 0.448 336 T N -2.410 112.143 114.554 -0.001 0.000 2.884 336 T HA 0.204 4.554 4.350 -0.000 0.000 0.277 336 T C 1.043 175.496 174.700 -0.413 0.000 0.976 336 T CA -0.465 61.520 62.100 -0.191 0.000 0.956 336 T CB 1.239 69.978 68.868 -0.215 0.000 1.113 336 T HN 0.605 nan 8.240 nan 0.000 0.554 337 T N 0.256 114.417 114.554 -0.655 0.000 2.995 337 T HA -0.055 4.294 4.350 -0.000 0.000 0.269 337 T C 2.139 176.746 174.700 -0.155 0.000 1.091 337 T CA 1.168 63.005 62.100 -0.439 0.000 1.128 337 T CB -0.435 68.107 68.868 -0.543 0.000 0.891 337 T HN 0.649 nan 8.240 nan 0.000 0.492 338 S N 1.192 116.792 115.700 -0.167 0.000 2.371 338 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 338 S C 1.753 176.359 174.600 0.011 0.000 1.029 338 S CA 0.999 59.158 58.200 -0.069 0.000 0.978 338 S CB -0.467 62.682 63.200 -0.086 0.000 0.833 338 S HN 0.342 nan 8.310 nan 0.000 0.466 339 D N 0.661 121.075 120.400 0.023 0.000 2.117 339 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 339 D C 1.622 178.079 176.300 0.261 0.000 0.987 339 D CA 0.953 55.023 54.000 0.117 0.000 0.829 339 D CB -0.458 40.418 40.800 0.126 0.000 0.961 339 D HN 0.383 nan 8.370 nan 0.000 0.460 340 F N 1.651 121.622 119.950 0.034 0.000 2.161 340 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 340 F C 2.335 178.133 175.800 -0.004 0.000 1.089 340 F CA 0.725 58.743 58.000 0.029 0.000 1.282 340 F CB -0.722 38.318 39.000 0.068 0.000 1.010 340 F HN 0.066 nan 8.300 nan 0.000 0.485 341 E N -0.409 119.903 120.200 0.187 0.000 2.072 341 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 341 E C 2.309 178.933 176.600 0.041 0.000 0.985 341 E CA 0.939 57.385 56.400 0.077 0.000 0.801 341 E CB -0.150 29.576 29.700 0.043 0.000 0.750 341 E HN 0.384 nan 8.360 nan 0.000 0.452 342 R N 0.562 121.094 120.500 0.053 0.000 2.075 342 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 342 R C 2.437 178.753 176.300 0.027 0.000 1.126 342 R CA 1.012 57.131 56.100 0.032 0.000 0.963 342 R CB -0.343 29.978 30.300 0.034 0.000 0.858 342 R HN 0.178 nan 8.270 nan 0.000 0.435 343 I N 0.822 121.422 120.570 0.049 0.000 2.335 343 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 343 I C 1.949 178.063 176.117 -0.005 0.000 1.129 343 I CA 0.863 62.181 61.300 0.030 0.000 1.402 343 I CB -0.148 37.874 38.000 0.037 0.000 1.069 343 I HN 0.114 nan 8.210 nan 0.000 0.424 344 L N 0.261 121.467 121.223 -0.027 0.000 2.201 344 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 344 L C 2.374 179.198 176.870 -0.077 0.000 1.105 344 L CA 2.290 57.084 54.840 -0.078 0.000 0.775 344 L CB -0.663 41.329 42.059 -0.112 0.000 0.913 344 L HN 0.471 nan 8.230 nan 0.000 0.440 345 T N -7.289 107.241 114.554 -0.040 0.000 3.010 345 T HA 0.092 4.442 4.350 -0.000 0.000 0.252 345 T C 1.508 176.203 174.700 -0.010 0.000 0.963 345 T CA -0.015 62.069 62.100 -0.026 0.000 0.952 345 T CB -0.105 68.752 68.868 -0.019 0.000 1.182 345 T HN 0.190 nan 8.240 nan 0.000 0.495 346 E N 1.973 122.167 120.200 -0.010 0.000 2.072 346 E HA 0.101 4.450 4.350 -0.000 0.000 0.190 346 E C -1.562 175.017 176.600 -0.036 0.000 0.982 346 E CA 0.227 56.617 56.400 -0.018 0.000 0.803 346 E CB -1.170 28.522 29.700 -0.015 0.000 0.755 346 E HN 0.449 nan 8.360 nan 0.000 0.453 347 P HA -0.082 nan 4.420 nan 0.000 0.269 347 P C -0.658 176.602 177.300 -0.067 0.000 1.211 347 P CA 0.467 63.531 63.100 -0.059 0.000 0.781 347 P CB 0.311 32.013 31.700 0.002 0.000 0.877 348 N N 1.005 119.619 118.700 -0.143 0.000 2.513 348 N HA 0.267 5.007 4.740 -0.000 0.000 0.268 348 N C 0.108 175.633 175.510 0.024 0.000 1.180 348 N CA 0.101 53.106 53.050 -0.074 0.000 0.948 348 N CB 0.085 38.505 38.487 -0.111 0.000 1.083 348 N HN 0.514 nan 8.380 nan 0.000 0.455 349 A N 1.193 124.028 122.820 0.023 0.000 2.560 349 A HA -0.197 4.123 4.320 -0.000 0.000 0.299 349 A C 0.656 178.262 177.584 0.036 0.000 1.484 349 A CA 0.635 52.692 52.037 0.033 0.000 0.749 349 A CB -2.199 16.825 19.000 0.040 0.000 1.072 349 A HN 0.716 nan 8.150 nan 0.000 0.426 350 S N -0.189 115.528 115.700 0.029 0.000 2.589 350 S HA 0.476 4.946 4.470 -0.000 0.000 0.265 350 S C 1.599 176.220 174.600 0.036 0.000 1.342 350 S CA -0.208 58.009 58.200 0.027 0.000 1.005 350 S CB 0.469 63.675 63.200 0.010 0.000 0.909 350 S HN 1.536 nan 8.310 nan 0.000 0.555 351 I N -1.915 118.678 120.570 0.037 0.000 2.423 351 I HA -0.134 4.036 4.170 -0.000 0.000 0.254 351 I C 2.140 178.317 176.117 0.100 0.000 1.151 351 I CA 1.798 63.135 61.300 0.062 0.000 1.421 351 I CB -1.246 36.804 38.000 0.083 0.000 1.079 351 I HN 0.657 nan 8.210 nan 0.000 0.431 352 T N 1.012 115.581 114.554 0.024 0.000 2.812 352 T HA -0.022 4.328 4.350 -0.000 0.000 0.264 352 T C 1.939 176.748 174.700 0.182 0.000 1.042 352 T CA 1.464 63.568 62.100 0.006 0.000 1.140 352 T CB -0.103 68.660 68.868 -0.175 0.000 0.870 352 T HN 0.245 nan 8.240 nan 0.000 0.445 353 V N 1.372 121.354 119.914 0.113 0.000 2.453 353 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 353 V C 2.541 178.694 176.094 0.098 0.000 1.048 353 V CA 1.523 63.887 62.300 0.106 0.000 1.049 353 V CB -0.533 31.325 31.823 0.058 0.000 0.672 353 V HN 0.525 nan 8.190 nan 0.000 0.457 354 Q N -1.295 118.557 119.800 0.088 0.000 2.084 354 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 354 Q C 2.184 178.199 176.000 0.025 0.000 0.978 354 Q CA 2.103 57.931 55.803 0.041 0.000 0.844 354 Q CB -0.262 28.492 28.738 0.027 0.000 0.898 354 Q HN 0.693 nan 8.270 nan 0.000 0.426 355 Y N 1.251 121.594 120.300 0.072 0.000 2.145 355 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 355 Y C 2.370 178.318 175.900 0.080 0.000 1.145 355 Y CA 1.516 59.674 58.100 0.098 0.000 1.148 355 Y CB 0.122 38.692 38.460 0.184 0.000 0.981 355 Y HN -0.057 nan 8.280 nan 0.000 0.507 356 K N -0.452 120.089 120.400 0.235 0.000 2.063 356 K HA -0.234 4.085 4.320 -0.000 0.000 0.208 356 K C 2.218 178.838 176.600 0.033 0.000 1.048 356 K CA 1.100 57.460 56.287 0.121 0.000 0.928 356 K CB -0.297 32.278 32.500 0.125 0.000 0.713 356 K HN 0.348 nan 8.250 nan 0.000 0.442 357 A N 1.011 123.841 122.820 0.016 0.000 1.858 357 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 357 A C 2.081 179.631 177.584 -0.058 0.000 1.190 357 A CA 1.278 53.303 52.037 -0.019 0.000 0.617 357 A CB -0.639 18.350 19.000 -0.019 0.000 0.827 357 A HN 0.230 nan 8.150 nan 0.000 0.443 358 L N -1.020 120.135 121.223 -0.114 0.000 2.046 358 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 358 L C 2.795 179.591 176.870 -0.123 0.000 1.077 358 L CA 1.152 55.897 54.840 -0.158 0.000 0.747 358 L CB -0.425 41.456 42.059 -0.297 0.000 0.896 358 L HN 0.316 nan 8.230 nan 0.000 0.432 359 M N -0.733 118.807 119.600 -0.100 0.000 2.175 359 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 359 M C 2.602 178.877 176.300 -0.040 0.000 1.063 359 M CA 1.801 57.072 55.300 -0.049 0.000 1.119 359 M CB -1.394 31.206 32.600 -0.000 0.000 1.377 359 M HN 0.298 nan 8.290 nan 0.000 0.415 360 A N -0.135 122.664 122.820 -0.035 0.000 1.892 360 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 360 A C 2.305 179.869 177.584 -0.034 0.000 1.188 360 A CA 2.544 54.563 52.037 -0.030 0.000 0.631 360 A CB -1.378 17.608 19.000 -0.023 0.000 0.822 360 A HN 0.455 nan 8.150 nan 0.000 0.447 361 T N -0.804 113.726 114.554 -0.041 0.000 2.718 361 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 361 T C 1.626 176.303 174.700 -0.039 0.000 1.033 361 T CA 2.163 64.238 62.100 -0.041 0.000 1.151 361 T CB -0.226 68.611 68.868 -0.052 0.000 0.853 361 T HN 0.605 nan 8.240 nan 0.000 0.466 362 E N -0.533 119.642 120.200 -0.041 0.000 2.465 362 E HA 0.306 4.656 4.350 -0.000 0.000 0.191 362 E C 1.182 177.762 176.600 -0.033 0.000 1.053 362 E CA 0.443 56.819 56.400 -0.039 0.000 0.869 362 E CB -0.256 29.418 29.700 -0.043 0.000 0.977 362 E HN 0.462 nan 8.360 nan 0.000 0.483 363 G N -0.029 108.753 108.800 -0.030 0.000 2.160 363 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 363 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 363 G C -0.090 174.793 174.900 -0.028 0.000 1.022 363 G CA 0.404 45.488 45.100 -0.027 0.000 0.741 363 G HN 0.172 nan 8.290 nan 0.000 0.508 364 V N 0.193 120.089 119.914 -0.030 0.000 2.495 364 V HA 0.557 4.677 4.120 -0.000 0.000 0.298 364 V C 0.155 176.224 176.094 -0.041 0.000 1.031 364 V CA -0.994 61.285 62.300 -0.034 0.000 0.871 364 V CB 1.886 33.689 31.823 -0.032 0.000 0.988 364 V HN 0.390 nan 8.190 nan 0.000 0.432 365 N N 4.733 123.403 118.700 -0.049 0.000 2.439 365 N HA 0.355 5.095 4.740 -0.000 0.000 0.249 365 N C -0.890 174.563 175.510 -0.095 0.000 1.003 365 N CA -0.325 52.691 53.050 -0.057 0.000 0.942 365 N CB 0.587 39.045 38.487 -0.048 0.000 1.115 365 N HN 0.485 nan 8.380 nan 0.000 0.505 366 I N 2.567 123.069 120.570 -0.113 0.000 2.385 366 I HA 0.357 4.527 4.170 -0.000 0.000 0.294 366 I C -0.145 175.811 176.117 -0.269 0.000 0.988 366 I CA -0.361 60.806 61.300 -0.222 0.000 1.265 366 I CB 1.338 39.215 38.000 -0.206 0.000 1.388 366 I HN 0.518 nan 8.210 nan 0.000 0.480 367 E N 5.989 125.957 120.200 -0.386 0.000 2.275 367 E HA 0.403 4.753 4.350 -0.000 0.000 0.270 367 E C -1.440 174.903 176.600 -0.428 0.000 0.882 367 E CA -0.497 55.726 56.400 -0.295 0.000 0.758 367 E CB 2.270 31.881 29.700 -0.148 0.000 1.195 367 E HN 0.195 nan 8.360 nan 0.000 0.419 368 F N 1.314 121.245 119.950 -0.031 0.000 2.411 368 F HA 0.220 4.747 4.527 -0.000 0.000 0.352 368 F C 1.316 177.108 175.800 -0.013 0.000 1.123 368 F CA -0.692 57.291 58.000 -0.028 0.000 1.044 368 F CB 1.394 40.383 39.000 -0.019 0.000 1.135 368 F HN 0.178 nan 8.300 nan 0.000 0.461 369 T N -1.424 113.221 114.554 0.152 0.000 2.828 369 T HA 0.119 4.469 4.350 -0.000 0.000 0.290 369 T C 0.774 175.539 174.700 0.108 0.000 1.019 369 T CA -0.666 61.492 62.100 0.097 0.000 1.031 369 T CB 0.977 69.885 68.868 0.066 0.000 1.001 369 T HN 0.485 nan 8.240 nan 0.000 0.531 370 D N 0.649 121.091 120.400 0.071 0.000 2.149 370 D HA -0.049 4.591 4.640 -0.000 0.000 0.198 370 D C 2.221 178.553 176.300 0.054 0.000 0.990 370 D CA 1.280 55.313 54.000 0.055 0.000 0.839 370 D CB -0.320 40.502 40.800 0.036 0.000 0.948 370 D HN 0.541 nan 8.370 nan 0.000 0.460 371 S N -0.784 114.951 115.700 0.057 0.000 2.461 371 S HA 0.022 4.491 4.470 -0.000 0.000 0.228 371 S C 1.972 176.617 174.600 0.075 0.000 1.005 371 S CA 0.788 59.021 58.200 0.055 0.000 0.942 371 S CB -0.133 63.096 63.200 0.048 0.000 0.776 371 S HN 0.391 nan 8.310 nan 0.000 0.514 372 G N 2.088 110.951 108.800 0.105 0.000 2.402 372 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 372 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 372 G C 1.287 176.252 174.900 0.107 0.000 1.162 372 G CA 0.554 45.742 45.100 0.146 0.000 0.777 372 G HN 0.412 nan 8.290 nan 0.000 0.539 373 I N 0.839 121.452 120.570 0.072 0.000 2.179 373 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 373 I C 2.554 178.681 176.117 0.016 0.000 1.088 373 I CA 1.267 62.562 61.300 -0.009 0.000 1.357 373 I CB -0.970 37.016 38.000 -0.023 0.000 1.051 373 I HN 0.190 nan 8.210 nan 0.000 0.409 374 K N 0.697 121.116 120.400 0.032 0.000 2.113 374 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 374 K C 2.290 178.917 176.600 0.045 0.000 1.047 374 K CA 1.586 57.892 56.287 0.031 0.000 0.928 374 K CB -0.002 32.511 32.500 0.023 0.000 0.716 374 K HN 0.059 nan 8.250 nan 0.000 0.446 375 R N 0.057 120.591 120.500 0.056 0.000 2.153 375 R HA 0.105 4.445 4.340 -0.000 0.000 0.218 375 R C 2.011 178.357 176.300 0.078 0.000 1.072 375 R CA 0.667 56.807 56.100 0.068 0.000 0.990 375 R CB 0.051 30.396 30.300 0.076 0.000 0.889 375 R HN 0.198 nan 8.270 nan 0.000 0.452 376 I N -0.157 120.451 120.570 0.063 0.000 2.202 376 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 376 I C 2.377 178.542 176.117 0.079 0.000 1.091 376 I CA 1.190 62.518 61.300 0.045 0.000 1.368 376 I CB -0.422 37.563 38.000 -0.025 0.000 1.058 376 I HN 0.198 nan 8.210 nan 0.000 0.410 377 A N 0.573 123.452 122.820 0.098 0.000 1.892 377 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 377 A C 2.210 179.964 177.584 0.283 0.000 1.188 377 A CA 2.195 54.366 52.037 0.224 0.000 0.631 377 A CB -0.771 18.345 19.000 0.194 0.000 0.822 377 A HN 0.428 nan 8.150 nan 0.000 0.447 378 E N -0.589 119.711 120.200 0.167 0.000 2.058 378 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 378 E C 2.315 179.043 176.600 0.214 0.000 0.997 378 E CA 1.311 57.806 56.400 0.159 0.000 0.801 378 E CB -0.310 29.441 29.700 0.085 0.000 0.746 378 E HN 0.613 nan 8.360 nan 0.000 0.450 379 A N 0.990 123.908 122.820 0.163 0.000 1.883 379 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 379 A C 2.372 180.057 177.584 0.169 0.000 1.186 379 A CA 2.012 54.133 52.037 0.140 0.000 0.624 379 A CB -0.935 18.124 19.000 0.098 0.000 0.822 379 A HN 0.354 nan 8.150 nan 0.000 0.444 380 A N -1.274 121.667 122.820 0.203 0.000 1.883 380 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 380 A C 2.133 179.934 177.584 0.361 0.000 1.186 380 A CA 1.532 53.705 52.037 0.226 0.000 0.624 380 A CB -1.025 18.070 19.000 0.157 0.000 0.822 380 A HN 0.878 nan 8.150 nan 0.000 0.444 381 W N 0.580 122.047 121.300 0.279 0.000 2.342 381 W HA -0.224 4.436 4.660 -0.000 0.000 0.297 381 W C 2.010 178.563 176.519 0.057 0.000 1.213 381 W CA 2.393 59.799 57.345 0.101 0.000 1.251 381 W CB -0.312 29.108 29.460 -0.068 0.000 1.136 381 W HN 0.465 nan 8.180 nan 0.000 0.526 382 Q N 0.674 120.634 119.800 0.267 0.000 1.993 382 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 382 Q C 2.243 178.262 176.000 0.031 0.000 0.984 382 Q CA 2.929 58.822 55.803 0.151 0.000 0.837 382 Q CB -1.047 27.780 28.738 0.149 0.000 0.902 382 Q HN 0.145 nan 8.270 nan 0.000 0.423 383 V N 1.105 121.043 119.914 0.040 0.000 2.332 383 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 383 V C 1.932 177.997 176.094 -0.049 0.000 1.055 383 V CA 2.209 64.513 62.300 0.006 0.000 1.038 383 V CB -0.882 30.954 31.823 0.021 0.000 0.651 383 V HN 0.450 nan 8.190 nan 0.000 0.450 384 N N -0.520 118.125 118.700 -0.091 0.000 2.120 384 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 384 N C 2.037 177.404 175.510 -0.238 0.000 1.024 384 N CA 1.079 54.030 53.050 -0.166 0.000 0.852 384 N CB -0.087 38.272 38.487 -0.214 0.000 1.003 384 N HN 0.407 nan 8.380 nan 0.000 0.424 385 E N 0.824 120.831 120.200 -0.322 0.000 2.046 385 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 385 E C 2.069 178.599 176.600 -0.117 0.000 0.982 385 E CA 0.732 56.972 56.400 -0.267 0.000 0.800 385 E CB -0.309 29.237 29.700 -0.257 0.000 0.756 385 E HN 0.201 nan 8.360 nan 0.000 0.449 386 S N -0.367 115.290 115.700 -0.071 0.000 2.382 386 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 386 S C 1.766 176.348 174.600 -0.029 0.000 1.027 386 S CA 2.228 60.411 58.200 -0.027 0.000 0.991 386 S CB -0.242 62.958 63.200 -0.000 0.000 0.823 386 S HN 0.457 nan 8.310 nan 0.000 0.469 387 T N -1.427 113.102 114.554 -0.042 0.000 1.944 387 T HA 0.484 4.834 4.350 -0.000 0.000 0.177 387 T C -0.553 174.116 174.700 -0.052 0.000 0.694 387 T CA -0.525 61.554 62.100 -0.035 0.000 1.337 387 T CB -0.112 68.743 68.868 -0.022 0.000 3.196 387 T HN 0.178 nan 8.240 nan 0.000 0.405 388 E N 1.503 121.670 120.200 -0.054 0.000 2.179 388 E HA 0.466 4.816 4.350 -0.000 0.000 0.275 388 E C -1.084 175.472 176.600 -0.073 0.000 0.945 388 E CA -0.383 55.981 56.400 -0.060 0.000 0.792 388 E CB 1.447 31.117 29.700 -0.050 0.000 1.125 388 E HN 0.553 nan 8.360 nan 0.000 0.397 389 N N 3.021 121.669 118.700 -0.085 0.000 2.420 389 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 389 N C 0.174 175.653 175.510 -0.051 0.000 1.144 389 N CA -0.029 52.964 53.050 -0.095 0.000 0.952 389 N CB 0.351 38.764 38.487 -0.123 0.000 1.081 389 N HN 0.529 nan 8.380 nan 0.000 0.480 390 I N 1.211 121.761 120.570 -0.034 0.000 3.833 390 I HA 0.496 4.665 4.170 -0.000 0.000 0.328 390 I C 0.846 176.964 176.117 0.001 0.000 1.554 390 I CA -0.630 60.659 61.300 -0.018 0.000 1.116 390 I CB -0.111 37.872 38.000 -0.028 0.000 1.182 390 I HN 0.642 nan 8.210 nan 0.000 0.459 391 G N 2.089 110.918 108.800 0.047 0.000 2.598 391 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.269 391 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.269 391 G C 0.874 175.812 174.900 0.064 0.000 1.289 391 G CA 0.581 45.758 45.100 0.129 0.000 0.926 391 G HN 0.802 nan 8.290 nan 0.000 0.567 392 A N -0.697 122.113 122.820 -0.017 0.000 2.139 392 A HA -0.067 4.252 4.320 -0.000 0.000 0.221 392 A C 2.420 179.683 177.584 -0.535 0.000 1.159 392 A CA 2.250 54.049 52.037 -0.397 0.000 0.662 392 A CB -0.416 18.452 19.000 -0.220 0.000 0.796 392 A HN 0.701 nan 8.150 nan 0.000 0.463 393 R N -1.156 119.165 120.500 -0.299 0.000 2.139 393 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 393 R C 2.302 178.403 176.300 -0.331 0.000 1.145 393 R CA 1.618 57.552 56.100 -0.277 0.000 0.976 393 R CB -0.201 30.059 30.300 -0.066 0.000 0.866 393 R HN 0.482 nan 8.270 nan 0.000 0.449 394 R N 0.946 121.277 120.500 -0.281 0.000 2.189 394 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 394 R C 1.829 177.964 176.300 -0.275 0.000 1.092 394 R CA 1.065 57.044 56.100 -0.202 0.000 0.989 394 R CB -0.294 29.949 30.300 -0.095 0.000 0.876 394 R HN 0.200 nan 8.270 nan 0.000 0.457 395 L N -0.526 120.394 121.223 -0.506 0.000 2.093 395 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 395 L C 2.131 178.865 176.870 -0.226 0.000 1.085 395 L CA 1.106 55.701 54.840 -0.408 0.000 0.755 395 L CB -0.667 41.084 42.059 -0.514 0.000 0.904 395 L HN 0.305 nan 8.230 nan 0.000 0.435 396 H N -0.384 118.616 119.070 -0.116 0.000 2.353 396 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 396 H C 2.526 177.834 175.328 -0.034 0.000 1.090 396 H CA 2.018 58.030 56.048 -0.059 0.000 1.327 396 H CB -0.990 28.748 29.762 -0.040 0.000 1.383 396 H HN 0.441 nan 8.280 nan 0.000 0.508 397 T N -0.996 113.590 114.554 0.052 0.000 2.777 397 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 397 T C 2.309 177.020 174.700 0.018 0.000 1.040 397 T CA 1.250 63.373 62.100 0.038 0.000 1.141 397 T CB -0.892 67.988 68.868 0.019 0.000 0.868 397 T HN 0.083 nan 8.240 nan 0.000 0.444 398 V N 1.624 121.530 119.914 -0.012 0.000 2.270 398 V HA -0.051 4.069 4.120 -0.000 0.000 0.245 398 V C 2.617 178.701 176.094 -0.017 0.000 1.043 398 V CA 1.620 63.916 62.300 -0.006 0.000 1.014 398 V CB -0.898 30.918 31.823 -0.012 0.000 0.645 398 V HN 0.388 nan 8.190 nan 0.000 0.447 399 L N 0.059 121.255 121.223 -0.046 0.000 2.079 399 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 399 L C 2.428 179.236 176.870 -0.104 0.000 1.081 399 L CA 1.935 56.717 54.840 -0.096 0.000 0.752 399 L CB -0.774 41.216 42.059 -0.114 0.000 0.896 399 L HN 0.276 nan 8.230 nan 0.000 0.433 400 E N -0.469 119.725 120.200 -0.010 0.000 2.106 400 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 400 E C 2.351 178.971 176.600 0.033 0.000 0.984 400 E CA 0.870 57.294 56.400 0.040 0.000 0.806 400 E CB -0.186 29.571 29.700 0.096 0.000 0.750 400 E HN 0.363 nan 8.360 nan 0.000 0.458 401 R N 1.065 121.582 120.500 0.030 0.000 2.075 401 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 401 R C 2.277 178.597 176.300 0.034 0.000 1.126 401 R CA 0.870 56.996 56.100 0.042 0.000 0.963 401 R CB -0.865 29.462 30.300 0.046 0.000 0.858 401 R HN 0.197 nan 8.270 nan 0.000 0.435 402 L N -0.292 120.938 121.223 0.011 0.000 2.083 402 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 402 L C 1.428 178.270 176.870 -0.047 0.000 1.083 402 L CA 1.782 56.623 54.840 0.001 0.000 0.752 402 L CB -0.205 41.873 42.059 0.032 0.000 0.899 402 L HN 0.226 nan 8.230 nan 0.000 0.433 403 M N -1.397 118.159 119.600 -0.072 0.000 2.428 403 M HA 0.069 4.549 4.480 -0.000 0.000 0.239 403 M C 1.759 178.106 176.300 0.079 0.000 1.121 403 M CA 0.292 55.560 55.300 -0.053 0.000 1.019 403 M CB -0.396 32.023 32.600 -0.303 0.000 1.485 403 M HN 0.268 nan 8.290 nan 0.000 0.484 404 E N 1.751 121.997 120.200 0.078 0.000 2.147 404 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 404 E C 1.686 178.371 176.600 0.142 0.000 1.005 404 E CA 1.838 58.309 56.400 0.118 0.000 0.810 404 E CB 0.220 29.971 29.700 0.084 0.000 0.736 404 E HN 0.558 nan 8.360 nan 0.000 0.460 405 E N -0.304 119.972 120.200 0.125 0.000 2.033 405 E HA -0.126 4.224 4.350 -0.000 0.000 0.189 405 E C 2.330 179.046 176.600 0.194 0.000 0.979 405 E CA 1.077 57.577 56.400 0.166 0.000 0.802 405 E CB -0.155 29.655 29.700 0.184 0.000 0.763 405 E HN 0.341 nan 8.360 nan 0.000 0.449 406 I N 1.259 121.924 120.570 0.157 0.000 2.127 406 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 406 I C 2.780 178.986 176.117 0.149 0.000 1.075 406 I CA 0.994 62.371 61.300 0.129 0.000 1.334 406 I CB -0.344 37.697 38.000 0.069 0.000 1.040 406 I HN 0.076 nan 8.210 nan 0.000 0.405 407 S N -0.093 115.726 115.700 0.198 0.000 2.380 407 S HA -0.311 4.159 4.470 -0.000 0.000 0.229 407 S C 2.123 176.823 174.600 0.167 0.000 1.043 407 S CA 1.888 60.206 58.200 0.197 0.000 1.038 407 S CB -0.458 62.899 63.200 0.263 0.000 0.872 407 S HN 0.506 nan 8.310 nan 0.000 0.456 408 Y N 1.671 122.014 120.300 0.072 0.000 2.184 408 Y HA 0.011 4.561 4.550 -0.000 0.000 0.290 408 Y C 2.031 177.957 175.900 0.042 0.000 1.129 408 Y CA 1.899 60.030 58.100 0.052 0.000 1.144 408 Y CB -0.491 38.001 38.460 0.053 0.000 0.995 408 Y HN 0.242 nan 8.280 nan 0.000 0.513 409 D N 0.287 120.776 120.400 0.148 0.000 2.310 409 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 409 D C 2.232 178.525 176.300 -0.011 0.000 0.965 409 D CA 0.950 54.982 54.000 0.052 0.000 0.879 409 D CB -0.489 40.387 40.800 0.127 0.000 0.921 409 D HN 0.477 nan 8.370 nan 0.000 0.510 410 A N 0.964 123.784 122.820 -0.000 0.000 1.916 410 A HA -0.359 3.961 4.320 -0.000 0.000 0.224 410 A C 2.435 179.996 177.584 -0.037 0.000 1.366 410 A CA 2.864 54.892 52.037 -0.014 0.000 0.692 410 A CB -1.052 17.940 19.000 -0.014 0.000 0.841 410 A HN 0.294 nan 8.150 nan 0.000 0.480 411 S N 0.067 115.727 115.700 -0.066 0.000 2.365 411 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 411 S C 1.224 175.795 174.600 -0.048 0.000 1.039 411 S CA 1.629 59.791 58.200 -0.064 0.000 1.033 411 S CB -0.629 62.518 63.200 -0.088 0.000 0.887 411 S HN 0.671 nan 8.310 nan 0.000 0.447 412 D N 0.264 120.634 120.400 -0.051 0.000 2.332 412 D HA 0.165 4.804 4.640 -0.000 0.000 0.244 412 D C 0.436 176.729 176.300 -0.011 0.000 1.136 412 D CA 0.256 54.239 54.000 -0.028 0.000 0.884 412 D CB 0.093 40.879 40.800 -0.024 0.000 0.906 412 D HN 0.138 nan 8.370 nan 0.000 0.520 413 L N -0.640 120.574 121.223 -0.014 0.000 3.135 413 L HA 0.203 4.543 4.340 -0.000 0.000 0.279 413 L C 0.468 177.329 176.870 -0.015 0.000 1.200 413 L CA -0.002 54.833 54.840 -0.007 0.000 1.016 413 L CB 0.336 42.394 42.059 -0.001 0.000 1.391 413 L HN -0.216 nan 8.230 nan 0.000 0.588 414 S N -0.212 115.476 115.700 -0.019 0.000 2.561 414 S HA 0.282 4.752 4.470 -0.000 0.000 0.294 414 S C 1.559 176.148 174.600 -0.018 0.000 1.294 414 S CA 1.194 59.382 58.200 -0.021 0.000 1.055 414 S CB 0.108 63.295 63.200 -0.022 0.000 0.819 414 S HN 0.829 nan 8.310 nan 0.000 0.503 415 G N 3.006 111.794 108.800 -0.020 0.000 2.184 415 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.264 415 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.264 415 G C -0.015 174.873 174.900 -0.019 0.000 0.975 415 G CA 0.577 45.667 45.100 -0.018 0.000 0.642 415 G HN 0.757 nan 8.290 nan 0.000 0.536 416 Q N -0.029 119.758 119.800 -0.022 0.000 2.214 416 Q HA 0.457 4.797 4.340 -0.000 0.000 0.251 416 Q C -0.404 175.574 176.000 -0.037 0.000 0.936 416 Q CA -0.686 55.102 55.803 -0.024 0.000 0.894 416 Q CB 0.806 29.532 28.738 -0.020 0.000 1.252 416 Q HN 0.222 nan 8.270 nan 0.000 0.448 417 N N 2.290 120.966 118.700 -0.041 0.000 2.699 417 N HA 0.252 4.992 4.740 -0.000 0.000 0.232 417 N C -0.917 174.547 175.510 -0.076 0.000 1.027 417 N CA -0.121 52.895 53.050 -0.056 0.000 0.920 417 N CB 0.767 39.227 38.487 -0.045 0.000 1.148 417 N HN 0.396 nan 8.380 nan 0.000 0.509 418 I N 1.132 121.637 120.570 -0.109 0.000 2.396 418 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 418 I C 1.146 177.129 176.117 -0.223 0.000 0.999 418 I CA -0.242 60.965 61.300 -0.156 0.000 1.310 418 I CB 1.218 39.107 38.000 -0.185 0.000 1.404 418 I HN 0.171 nan 8.210 nan 0.000 0.496 419 T N 6.482 120.898 114.554 -0.230 0.000 2.809 419 T HA 0.497 4.847 4.350 -0.000 0.000 0.284 419 T C -0.449 174.053 174.700 -0.329 0.000 0.992 419 T CA -0.620 61.332 62.100 -0.247 0.000 0.957 419 T CB 0.450 69.241 68.868 -0.128 0.000 0.942 419 T HN 0.227 nan 8.240 nan 0.000 0.439 420 I N 6.534 126.842 120.570 -0.435 0.000 2.294 420 I HA 0.309 4.479 4.170 -0.000 0.000 0.295 420 I C 0.256 176.346 176.117 -0.045 0.000 1.098 420 I CA -0.551 60.518 61.300 -0.384 0.000 1.277 420 I CB -0.306 37.412 38.000 -0.470 0.000 1.434 420 I HN 0.738 nan 8.210 nan 0.000 0.498 421 D N 4.356 124.792 120.400 0.061 0.000 2.467 421 D HA 0.528 5.168 4.640 -0.000 0.000 0.245 421 D C 0.999 177.399 176.300 0.167 0.000 1.038 421 D CA -0.720 53.346 54.000 0.110 0.000 1.038 421 D CB 0.876 41.722 40.800 0.077 0.000 1.278 421 D HN 0.268 nan 8.370 nan 0.000 0.564 422 A N 0.311 123.206 122.820 0.126 0.000 1.940 422 A HA -0.306 4.014 4.320 -0.000 0.000 0.221 422 A C 1.532 179.191 177.584 0.126 0.000 1.190 422 A CA 2.410 54.517 52.037 0.116 0.000 0.647 422 A CB -1.131 17.916 19.000 0.080 0.000 0.821 422 A HN 0.667 nan 8.150 nan 0.000 0.457 423 D N -2.126 118.348 120.400 0.124 0.000 2.087 423 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 423 D C 1.749 178.136 176.300 0.144 0.000 0.993 423 D CA 1.758 55.824 54.000 0.111 0.000 0.828 423 D CB -0.396 40.465 40.800 0.103 0.000 0.968 423 D HN 0.579 nan 8.370 nan 0.000 0.448 424 Y N 0.997 121.353 120.300 0.093 0.000 2.128 424 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 424 Y C 2.143 178.175 175.900 0.220 0.000 1.154 424 Y CA 1.225 59.424 58.100 0.165 0.000 1.149 424 Y CB -0.438 38.092 38.460 0.117 0.000 0.976 424 Y HN -0.151 nan 8.280 nan 0.000 0.505 425 V N -0.723 119.400 119.914 0.349 0.000 2.233 425 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 425 V C 2.408 178.584 176.094 0.136 0.000 1.050 425 V CA 2.262 64.711 62.300 0.249 0.000 1.010 425 V CB -1.122 30.823 31.823 0.204 0.000 0.637 425 V HN 0.412 nan 8.190 nan 0.000 0.444 426 S N -0.711 115.047 115.700 0.096 0.000 2.387 426 S HA -0.290 4.180 4.470 -0.000 0.000 0.230 426 S C 2.003 176.604 174.600 0.001 0.000 1.035 426 S CA 1.983 60.212 58.200 0.048 0.000 1.014 426 S CB -0.367 62.856 63.200 0.039 0.000 0.836 426 S HN 0.600 nan 8.310 nan 0.000 0.466 427 K N 0.398 120.772 120.400 -0.043 0.000 2.057 427 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 427 K C 1.860 178.306 176.600 -0.257 0.000 1.049 427 K CA 1.290 57.474 56.287 -0.172 0.000 0.931 427 K CB -0.124 32.212 32.500 -0.273 0.000 0.714 427 K HN 0.477 nan 8.250 nan 0.000 0.440 428 H N -0.560 118.406 119.070 -0.172 0.000 2.497 428 H HA 0.055 4.611 4.556 -0.000 0.000 0.282 428 H C 1.788 177.085 175.328 -0.052 0.000 1.003 428 H CA 0.989 56.954 56.048 -0.139 0.000 1.307 428 H CB 0.518 30.165 29.762 -0.191 0.000 1.437 428 H HN 0.201 nan 8.280 nan 0.000 0.544 429 L N -0.442 120.829 121.223 0.081 0.000 2.609 429 L HA 0.040 4.380 4.340 -0.000 0.000 0.230 429 L C 1.777 178.671 176.870 0.039 0.000 1.064 429 L CA -0.006 54.871 54.840 0.063 0.000 0.873 429 L CB 0.158 42.261 42.059 0.075 0.000 1.139 429 L HN -0.093 nan 8.230 nan 0.000 0.490 430 D N 1.558 121.974 120.400 0.027 0.000 2.149 430 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 430 D C 2.156 178.464 176.300 0.013 0.000 1.001 430 D CA 1.846 55.858 54.000 0.021 0.000 0.849 430 D CB 0.055 40.862 40.800 0.011 0.000 0.939 430 D HN 0.334 nan 8.370 nan 0.000 0.449 431 A N 0.402 123.221 122.820 -0.000 0.000 1.845 431 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 431 A C 2.213 179.801 177.584 0.008 0.000 1.195 431 A CA 1.248 53.283 52.037 -0.004 0.000 0.616 431 A CB -0.775 18.214 19.000 -0.019 0.000 0.832 431 A HN 0.145 nan 8.150 nan 0.000 0.443 432 L N -0.247 120.984 121.223 0.014 0.000 1.971 432 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 432 L C 2.558 179.448 176.870 0.033 0.000 1.072 432 L CA 1.771 56.626 54.840 0.026 0.000 0.758 432 L CB -1.322 40.758 42.059 0.035 0.000 0.889 432 L HN 0.187 nan 8.230 nan 0.000 0.433 433 V N 0.009 119.946 119.914 0.037 0.000 2.324 433 V HA -0.354 3.766 4.120 -0.000 0.000 0.250 433 V C 2.740 178.856 176.094 0.037 0.000 1.060 433 V CA 1.819 64.144 62.300 0.042 0.000 1.042 433 V CB -1.308 30.546 31.823 0.052 0.000 0.650 433 V HN 0.540 nan 8.190 nan 0.000 0.450 434 A N -0.300 122.538 122.820 0.030 0.000 1.877 434 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 434 A C 1.442 179.039 177.584 0.022 0.000 1.186 434 A CA 1.564 53.616 52.037 0.025 0.000 0.620 434 A CB -0.465 18.545 19.000 0.017 0.000 0.822 434 A HN 0.546 nan 8.150 nan 0.000 0.443 435 D N -0.174 120.238 120.400 0.020 0.000 2.352 435 D HA 0.207 4.847 4.640 -0.000 0.000 0.245 435 D C 0.914 177.234 176.300 0.032 0.000 1.224 435 D CA 0.018 54.030 54.000 0.020 0.000 0.879 435 D CB 0.520 41.327 40.800 0.011 0.000 1.057 435 D HN 0.445 nan 8.370 nan 0.000 0.491 436 E N 2.251 122.471 120.200 0.033 0.000 2.031 436 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 436 E C 0.995 177.635 176.600 0.067 0.000 0.994 436 E CA 1.073 57.498 56.400 0.042 0.000 0.800 436 E CB 0.139 29.858 29.700 0.032 0.000 0.752 436 E HN 0.543 nan 8.360 nan 0.000 0.447 437 D N 0.635 121.078 120.400 0.072 0.000 2.123 437 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 437 D C 1.937 178.353 176.300 0.192 0.000 0.992 437 D CA 0.789 54.866 54.000 0.129 0.000 0.833 437 D CB -0.104 40.748 40.800 0.087 0.000 0.954 437 D HN 0.069 nan 8.370 nan 0.000 0.455 438 L N -0.245 121.036 121.223 0.096 0.000 2.083 438 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 438 L C 2.423 179.386 176.870 0.155 0.000 1.083 438 L CA 1.033 55.926 54.840 0.088 0.000 0.752 438 L CB -0.234 41.842 42.059 0.028 0.000 0.899 438 L HN 0.039 nan 8.230 nan 0.000 0.433 439 S N -0.549 115.220 115.700 0.115 0.000 2.382 439 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 439 S C 1.852 176.508 174.600 0.094 0.000 1.027 439 S CA 1.068 59.322 58.200 0.090 0.000 0.991 439 S CB -0.171 63.062 63.200 0.056 0.000 0.823 439 S HN 0.407 nan 8.310 nan 0.000 0.469 440 R N -0.790 119.783 120.500 0.122 0.000 2.235 440 R HA 0.047 4.386 4.340 -0.000 0.000 0.213 440 R C 1.254 177.500 176.300 -0.090 0.000 1.059 440 R CA 0.917 57.025 56.100 0.014 0.000 0.997 440 R CB -0.158 30.138 30.300 -0.006 0.000 0.884 440 R HN 0.418 nan 8.270 nan 0.000 0.462 441 F N -0.817 119.133 119.950 -0.001 0.000 2.480 441 F HA 0.097 4.624 4.527 -0.000 0.000 0.280 441 F C 1.860 177.662 175.800 0.004 0.000 1.002 441 F CA 0.086 58.087 58.000 0.001 0.000 1.325 441 F CB 0.163 39.163 39.000 0.000 0.000 1.134 441 F HN -0.172 nan 8.300 nan 0.000 0.646 442 I N 0.457 121.162 120.570 0.225 0.000 3.578 442 I HA 0.122 4.292 4.170 -0.000 0.000 0.295 442 I C 0.262 176.427 176.117 0.079 0.000 1.280 442 I CA 0.928 62.303 61.300 0.126 0.000 1.347 442 I CB -1.184 36.875 38.000 0.098 0.000 1.051 442 I HN 0.006 nan 8.210 nan 0.000 0.460 443 L N 0.000 121.262 121.223 0.065 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.863 54.840 0.038 0.000 0.813 443 L CB 0.000 42.081 42.059 0.036 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502